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CC(C(=O)N=S1(=O)CCC(C(=O)[O-])CC1)N(C)CC(F)(F)F	REAL300005728079	0	40	-1.0	-54.66	335.62	3.15	-51.51
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COC1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=CC(OC)=C1[O-]	REAL300005728096	1	41	-2.0	-111.04	349.06	3.55	-107.49
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CC1(OCC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CCCC1	REAL300005729244	0	43	-1.0	-55.30	342.12	5.58	-49.72
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CC(C)(C)N1N=CC=C1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729258	0	42	-1.0	-51.69	327.37	6.16	-45.53
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COC1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C2=CN=CC=C12	REAL300005729261	0	42	-1.0	-58.09	348.84	5.18	-52.91
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COC1CCCC1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729263	0	40	-1.0	-51.58	322.83	3.89	-47.69
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CC(C)(C)OCC1=NC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)S1	REAL300005729265	0	45	-1.0	-52.95	383.85	4.44	-48.51
CCC1=NC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=CS1	REAL300005729266	0	35	-1.0	-55.12	312.81	3.77	-51.35
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COC1=CC(F)=CC(N2C=CC(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)=N2)=C1	REAL300005729268	0	44	-1.0	-57.40	381.85	5.87	-51.53
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CC(=O)N1CSC[C@@H]1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729271	0	38	-1.0	-57.70	327.34	4.33	-53.37
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COCC1(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CCCCO1	REAL300005729274	0	44	-1.0	-52.67	348.90	3.54	-49.13
CC1=CC=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300005729275	0	39	-1.0	-55.27	328.79	6.76	-48.51
CN(C)C1=C2C=C(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)SC2=CC=C1	REAL300005729276	0	44	-1.0	-55.92	375.69	6.22	-49.70
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COC1=CC=C(N2C=C(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)N=N2)C=C1	REAL300005729291	0	43	-1.0	-57.63	368.19	4.27	-53.36
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COC1=CC=C(CC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C(C)=C1	REAL300005729295	0	43	-1.0	-54.43	354.79	5.87	-48.56
CN1N=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=C1C(F)F	REAL300005729296	0	36	-1.0	-57.33	317.49	3.68	-53.65
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CC(C)CC1=NC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)S1	REAL300005729299	0	41	-1.0	-53.26	353.73	5.30	-47.96
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CC(C)(C)CC1=NC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)S1	REAL300005729302	0	44	-1.0	-53.64	370.96	5.89	-47.75
CC1CC2CC2CC1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729303	0	43	-1.0	-49.21	334.17	6.52	-42.69
CCCC1=CC=CC=C1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729304	0	42	-1.0	-51.59	338.87	7.39	-44.20
COC12CCC(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)(CC1)CC2	REAL300005729305	0	47	-1.0	-48.99	353.50	5.02	-43.97
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729306	0	50	-1.0	-49.53	400.87	5.20	-44.33
O=C(CC1=NOC(C2CC2)=C1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729307	0	39	-1.0	-59.46	336.33	5.85	-53.61
O=C(C=CC1=CC=CC=C1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729308	0	37	-1.0	-52.44	315.01	6.50	-45.94
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CSC1=CC=C(CCC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=C1	REAL300005729313	0	43	-1.0	-50.74	369.60	7.89	-42.85
CC1=NC=C([N+](=O)[O-])N1CC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729314	0	38	-1.0	-56.10	335.17	6.36	-49.74
CP(C)(=O)C1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=C1	REAL300005729315	0	42	-1.0	-60.10	366.39	5.05	-55.05
COC1=CC(=O)NC=C1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729316	0	37	-1.0	-54.52	315.24	2.18	-52.34
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COC1(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CCCCCC1	REAL300005729321	0	46	-1.0	-50.34	342.61	5.26	-45.08
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CC(C)(C(=O)N=S1(=O)CCC(C(=O)[O-])CC1)C(F)C1=CC=CC=C1	REAL300005729328	0	45	-1.0	-51.57	361.23	7.58	-43.99
CC1(C2=CC=C(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300005729329	0	43	-1.0	-52.71	352.27	7.95	-44.76
CC(C)CC1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)S1	REAL300005729330	0	42	-1.0	-52.32	356.50	7.14	-45.18
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C=CCC1(C(=O)[O-])CN(C(=O)C23CCC(C)(C2)OC3)CCO1	REAL300005947169	0	44	-1.0	-46.23	330.42	6.14	-40.09
C=CCC1(C(=O)[O-])CN(C(=O)C(CC2=CC=C(F)C=C2)C2=CC=CC=C2)CCO1	REAL300005947170	0	52	-1.0	-54.62	413.80	12.24	-42.38
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3C=CN(C(C)C)C3=CC=C2)CCO1	REAL300005947171	0	49	-1.0	-60.49	386.95	10.59	-49.90
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(N(C)C)=CC=C2Br)CCO1	REAL300005947172	0	44	-1.0	-56.09	362.69	8.40	-47.69
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN3CC(F)CC3=C2)CCO1	REAL300005947173	0	40	-1.0	-60.61	325.24	6.74	-53.87
C=CCC1(C(=O)[O-])CN(C(=O)C23CCN(CCC2)S3(=O)=O)CCO1	REAL300005947174	0	45	-1.0	-65.77	343.55	3.62	-62.15
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)C3=C(F)C=C(F)C=C3N2)CCO1	REAL300005947175	0	43	-1.0	-50.84	358.97	8.06	-42.78
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C(C)O3)N2)CCO1	REAL300005947176	0	40	-1.0	-54.92	325.35	6.80	-48.12
C=CCC1(C(=O)[O-])CN(C(=O)C2=NC3=CC(C(C)C)=CNC3=C2)CCO1	REAL300005947177	0	48	-1.0	-69.90	379.52	8.35	-61.55
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C3C(=C2)CCCS3(=O)=O)CCO1	REAL300005947179	0	46	-1.0	-61.96	373.03	5.97	-55.99
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)C3=CC=CC=C3C=C2)CCO1	REAL300005947180	0	45	-1.0	-55.56	352.94	10.21	-45.35
C=CCC1(C(=O)[O-])CN(C(=O)CCC2=CC=CC(OC)=N2)CCO1	REAL300005947181	0	45	-1.0	-56.16	364.97	6.04	-50.12
C=CCC1(C(=O)[O-])CN(C(=O)[C@H](C)C2=CC=CC(C)=C2)CCO1	REAL300005947182	0	45	-1.0	-45.27	353.09	9.54	-35.73
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C(OC)C=C2C)CCO1	REAL300005947183	0	42	-1.0	-52.44	337.51	4.73	-47.71
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CS3)N2C)CCO1	REAL300005947184	0	40	-1.0	-53.76	330.97	8.04	-45.72
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)N(C3CCC3)N=C2)CCO1	REAL300005947185	0	46	-1.0	-55.23	361.65	7.91	-47.32
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3CCCCC3=CN2)CCO1	REAL300005947186	0	44	-1.0	-46.87	339.19	8.17	-38.70
C=CCC1(C(=O)[O-])CN(C(=O)C=CCOCCOC)CCO1	REAL300005947187	0	44	-1.0	-46.71	359.04	5.27	-41.44
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(C)C3=C2COCC3)CCO1	REAL300005947188	0	44	-1.0	-59.38	347.09	5.79	-53.59
C=CCC1(C(=O)[O-])CN(C(=O)C(CC)N2C=NC=N2)CCO1	REAL300005947189	0	41	-1.0	-48.25	331.68	8.02	-40.23
C=CCC1(C(=O)[O-])CN(C(=O)CN2N=C(C)C(C)=C2C)CCO1	REAL300005947190	0	45	-1.0	-59.91	359.34	7.39	-52.52
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)N=C3C=NN(C)C3=C2)CCO1	REAL300005947191	0	44	-1.0	-55.21	371.73	6.42	-48.79
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC=C(Cl)C=C3F)CC2)CCO1	REAL300005947192	0	43	-1.0	-57.99	364.44	9.80	-48.19
C=CCC1(C(=O)[O-])CN(C(=O)CC2=C(C)C=CS2)CCO1	REAL300005947193	0	39	-1.0	-57.01	326.57	8.16	-48.85
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC(C(F)(F)F)=CO2)CCO1	REAL300005947194	0	39	-1.0	-59.78	338.75	7.68	-52.10
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CC(C3(S(C)(=O)=O)CC3)=C2)CCO1	REAL300005947195	0	49	-1.0	-59.66	403.79	6.95	-52.71
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN3N=CC=C3C=C2)CCO1	REAL300005947196	0	39	-1.0	-48.39	325.05	7.31	-41.08
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCC3=NN=CN32)CCO1	REAL300005947197	0	42	-1.0	-63.76	330.75	8.25	-55.51
C=CCC1(C(=O)[O-])CN(C(=O)CC2CCCC(C)(C)O2)CCO1	REAL300005947198	0	49	-1.0	-59.68	365.98	8.52	-51.16
C=CCC1(C(=O)[O-])CN(C(=O)CN2C=CC3=CC(F)=CC=C32)CCO1	REAL300005947199	0	43	-1.0	-58.58	357.48	9.90	-48.68
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=C(C)SC(C)=C3S2)CCO1	REAL300005947200	0	42	-1.0	-54.30	363.94	9.41	-44.89
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=NC3=CC(OC)=CC=C32)CCO1	REAL300005947201	0	45	-1.0	-55.14	360.53	7.09	-48.05
C=CCC1(C(=O)[O-])CN(C(=O)C(OC)C2=CC=CN=C2)CCO1	REAL300005947202	0	42	-1.0	-58.91	338.89	6.40	-52.51
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC(SCC)CC2)CCO1	REAL300005947203	0	49	-1.0	-45.43	371.07	9.55	-35.88
C=CCC1(C(=O)[O-])CN(C(=O)CCC2=CC(C)=NC(C)=C2)CCO1	REAL300005947204	0	47	-1.0	-54.16	377.31	8.67	-45.49
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN(C3CCC3)N=C2C)CCO1	REAL300005947205	0	46	-1.0	-55.81	361.53	7.80	-48.01
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC(F)=C3)N=C2)CCO1	REAL300005947206	0	43	-1.0	-55.60	357.61	8.67	-46.93
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=NC3=C2CCC3)CCO1	REAL300005947207	0	42	-1.0	-54.46	333.18	7.55	-46.91
C=CCC1(C(=O)[O-])CN(C(=O)C2=CSC(C)=C2CC)CCO1	REAL300005947208	0	42	-1.0	-55.31	343.41	8.61	-46.70
C=CCC1(C(=O)[O-])CN(C(=O)C2CC(OC(F)(F)F)C2)CCO1	REAL300005947209	0	40	-1.0	-55.10	335.83	6.20	-48.90
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(C)C=C3C=C2)CCO1	REAL300005947210	0	45	-1.0	-55.24	359.33	10.32	-44.92
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC=C3COCCC3=C2)CCO1	REAL300005947211	0	47	-1.0	-58.46	370.90	8.55	-49.91
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC=C3CCOCC3=C2)CCO1	REAL300005947212	0	47	-1.0	-58.67	370.90	8.56	-50.11
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(S(C)(=O)=O)=CO2)CCO1	REAL300005947213	0	39	-1.0	-62.12	336.60	3.16	-58.96
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)N(CC)N=N2)CCO1	REAL300005947214	0	41	-1.0	-52.80	328.91	5.69	-47.11
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=CC(C3=CC=CC(F)=C3)=C2)CCO1	REAL300005947215	0	45	-1.0	-53.23	368.34	9.06	-44.17
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=C(CC)C=C3)N=N2)CCO1	REAL300005947216	0	48	-1.0	-53.37	389.75	9.18	-44.19
C=CCC1(C(=O)[O-])CN(C(=O)CC2CCCC(F)(F)C2)CCO1	REAL300005947217	0	45	-1.0	-58.20	348.13	8.85	-49.35
C=CCC1(C(=O)[O-])CN(C(=O)C(CCC2=CC=CC=C2)CC(C)C)CCO1	REAL300005947218	0	57	-1.0	-57.79	433.64	12.37	-45.42
C=CCC1(C(=O)[O-])CN(C(=O)CC2CC(C(F)F)C2)CCO1	REAL300005947219	0	42	-1.0	-55.76	336.48	8.29	-47.47
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(F)C=C3N=C2CC)CCO1	REAL300005947220	0	47	-1.0	-53.74	377.72	9.14	-44.60
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(F)=CC(N3N=NN=C3C)=C2)CCO1	REAL300005947221	0	44	-1.0	-55.36	365.12	7.49	-47.87
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC=C(N3CCOCC3)C=C2)CCO1	REAL300005947222	0	52	-1.0	-56.70	401.82	7.25	-49.45
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C3OCCOC3=C2)CCO1	REAL300005947223	0	49	-1.0	-61.24	388.99	8.93	-52.31
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(CC)C(Cl)=C2)CCO1	REAL300005947224	0	42	-1.0	-54.77	348.48	9.26	-45.51
C=CCC1(C(=O)[O-])CN(C(=O)C2=NC(N3CCOCC3)=NC=C2C)CCO1	REAL300005947225	0	50	-1.0	-55.60	394.77	6.39	-49.21
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(CC3CC3)C=C2)CCO1	REAL300005947226	0	46	-1.0	-54.77	366.36	10.43	-44.34
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C3CCCCC3=C2)CCO1	REAL300005947227	0	45	-1.0	-53.29	349.38	7.98	-45.31
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2CC)CCO1	REAL300005947228	0	44	-1.0	-55.08	356.36	9.37	-45.71
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC2C2=CC=CC=C2Cl)CCO1	REAL300005947229	0	46	-1.0	-51.03	366.46	10.28	-40.75
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(Br)=C3OC=CC3=C2)CCO1	REAL300005947230	0	39	-1.0	-54.01	340.48	8.39	-45.62
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C3C(=C2)C=CN3CCOC)CCO1	REAL300005947231	0	50	-1.0	-50.50	402.04	9.14	-41.36
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C3C(=C2)C=CN3C(C)C)CCO1	REAL300005947232	0	49	-1.0	-58.08	386.36	10.55	-47.53
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=NN2CC2CC2)CCO1	REAL300005947233	0	43	-1.0	-53.03	342.23	7.62	-45.41
C=CCC1(C(=O)[O-])CN(C(=O)C2CCOCC2(C)C)CCO1	REAL300005947234	0	46	-1.0	-54.63	328.76	6.16	-48.47
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CC3=NN=CN32)CCO1	REAL300005947235	0	38	-1.0	-57.70	317.49	8.57	-49.13
C=CCOCC(C(=O)N1CCOC(CC=C)(C(=O)[O-])C1)C(C)(C)C	REAL300005947236	0	52	-1.0	-50.57	387.08	8.73	-41.84
C=CCC1(C(=O)[O-])CN(C(=O)C2CC3(C)CCCN3S2(=O)=O)CCO1	REAL300005947237	0	48	-1.0	-55.72	376.83	3.95	-51.77
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C(F)F)C=NN2C)CCO1	REAL300005947238	0	39	-1.0	-57.79	332.74	6.24	-51.55
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C)=NN2C2CCC2)CCO1	REAL300005947239	0	46	-1.0	-53.12	358.56	7.99	-45.13
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=C(Cl)C=CC=C2OC)CCO1	REAL300005947240	0	47	-1.0	-55.89	388.81	9.65	-46.24
C=CCC1(C(=O)[O-])CN(C(=O)CC2OCCCC2(C)C)CCO1	REAL300005947241	0	49	-1.0	-58.18	360.86	8.18	-50.00
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Cl)C=C2F)CCO1	REAL300005947242	0	40	-1.0	-44.32	348.20	9.51	-34.81
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC3=CC=C(OC)C=C3C=C2)CCO1	REAL300005947243	0	49	-1.0	-60.76	392.66	10.02	-50.74
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C3=C(Cl)C=NN3C)=NO2)CCO1	REAL300005947244	0	42	-1.0	-50.58	363.54	6.55	-44.03
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(Br)C=CC(OC)=C2C)CCO1	REAL300005947245	0	43	-1.0	-56.10	360.44	7.91	-48.19
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(OC)N=CC(Cl)=C2C)CCO1	REAL300005947246	0	42	-1.0	-54.64	353.56	5.20	-49.44
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(OC)C=CC(OC)=C2[N+](=O)[O-])CCO1	REAL300005947247	0	46	-1.0	-71.12	385.40	7.05	-64.07
C=CCC1(C(=O)[O-])CN(C(=O)C23CCC(C)(CC2)CO3)CCO1	REAL300005947248	0	47	-1.0	-52.40	345.98	7.12	-45.28
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=CC=C(OCCCC)C=C2)CCO1	REAL300005947249	0	53	-1.0	-46.31	420.91	10.72	-35.59
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C3C=COC3=C2)CCO1	REAL300005947250	0	39	-1.0	-57.16	319.97	7.77	-49.39
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2Cl)CCO1	REAL300005947251	0	42	-1.0	-60.28	354.05	8.41	-51.87
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C)=C(C)NC2=O)CCO1	REAL300005947252	0	42	-1.0	-68.24	340.28	5.69	-62.55
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(CC)C(C)=C2)CCO1	REAL300005947253	0	42	-1.0	-57.95	337.28	7.21	-50.74
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CN2CCC)CCO1	REAL300005947254	0	43	-1.0	-56.19	337.66	8.53	-47.66
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CN(C(C)(C)C)N=C2)CCO1	REAL300005947255	0	48	-1.0	-58.82	380.55	8.21	-50.61
C=CCC1(C(=O)[O-])CN(C(=O)CC(C)C2=CC=C(F)C(F)=C2)CCO1	REAL300005947256	0	45	-1.0	-56.12	364.74	9.83	-46.29
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC=C(C)C=C3F)CC2)CCO1	REAL300005947257	0	46	-1.0	-59.08	369.12	9.97	-49.11
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(CCC)N(CC)N=N2)CCO1	REAL300005947258	0	47	-1.0	-57.27	366.52	7.04	-50.23
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(CC)N=C(C3=NNC=N3)S2)CCO1	REAL300005947259	0	44	-1.0	-58.16	374.28	6.78	-51.38
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3NC=NC3=CC(Br)=C2)CCO1	REAL300005947260	0	39	-1.0	-53.08	340.05	7.70	-45.38
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC3=C(C2)C(C)=NN3)CCO1	REAL300005947261	0	46	-1.0	-54.93	353.32	6.68	-48.25
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC3=NNC(C)=C3C2)CCO1	REAL300005947261	1	46	-1.0	-54.93	353.32	6.68	-48.25
C=CCC1(C(=O)[O-])CN(C(=O)CCC2=C(Br)C=CS2)CCO1	REAL300005947262	0	39	-1.0	-52.47	348.88	8.86	-43.61
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C3NC(C4CC4)=NC3=C2)CCO1	REAL300005947263	0	46	-1.0	-61.32	370.39	8.47	-52.85
C=CCC1(C(=O)[O-])CN(C(=O)C(C)(C)OC2=C(F)C=CC=C2F)CCO1	REAL300005947264	0	46	-1.0	-62.68	358.43	8.95	-53.73
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(S(N)(=O)=O)=CO2)CCO1	REAL300005947265	0	38	-1.0	-60.56	330.00	0.59	-59.97
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC3=NC(C(F)(F)F)=CN3C2)CCO1	REAL300005947266	0	46	-1.0	-45.79	378.00	8.63	-37.16
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC=C(C(F)(F)F)C=C2C)CCO1	REAL300005947267	0	45	-1.0	-54.94	373.65	9.91	-45.03
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C([N+](=O)[O-])C(SC)=C2)CCO1	REAL300005947268	0	42	-1.0	-53.39	356.48	8.99	-44.40
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN3N=NC=C3C=C2)CCO1	REAL300005947269	0	38	-1.0	-56.25	319.06	6.09	-50.16
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3C[C@@H](C)O[C@@H](C)C3=NN2)CCO1	REAL300005947270	0	47	-1.0	-56.26	367.20	5.99	-50.27
C=CCC1(C(=O)[O-])CN(C(=O)C2=NNC3=C2C[C@@H](C)O[C@H]3C)CCO1	REAL300005947270	1	47	-1.0	-56.26	367.20	5.99	-50.27
C=CCC1(C(=O)[O-])CN(C(=O)CCNC2=CN=CN=C2)CCO1	REAL300005947271	0	42	-1.0	-57.65	342.72	5.40	-52.25
C=CCC1(C(=O)[O-])CN(C(=O)CC2CC3(CCC3)C2)CCO1	REAL300005947272	0	46	-1.0	-54.38	354.43	9.33	-45.05
C=CCC1(C(=O)[O-])CN(C(=O)C[C@@H](O)C2=CC=CC=C2)CCO1	REAL300005947273	0	43	-1.0	-56.78	346.06	6.91	-49.87
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C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(S(C)(=O)=O)C=C2Cl)CCO1	REAL300005947278	0	42	-1.0	-50.22	368.15	5.47	-44.75
C=CCC1(C(=O)[O-])CN(C(=O)C2=NC(C3CC3)=NC=C2Cl)CCO1	REAL300005947279	0	41	-1.0	-52.00	347.00	8.49	-43.51
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN(C(C)(C)C)N=C2C(C)(C)C)CCO1	REAL300005947280	0	57	-1.0	-55.32	428.56	9.47	-45.85
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)N=CC3=CC=CC=C32)CCO1	REAL300005947281	0	44	-1.0	-57.99	355.32	8.48	-49.51
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3C=NN(C)C3=NC(C3CC3)=C2)CCO1	REAL300005947282	0	48	-1.0	-54.07	387.14	8.61	-45.46
C=CCC1(C(=O)[O-])CN(C(=O)C23CCC(C(F)(F)F)(CC2)C3)CCO1	REAL300005947283	0	46	-1.0	-53.75	358.41	8.74	-45.01
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2CCC[C@H]2C(C)C)CCO1	REAL300005947284	0	48	-1.0	-53.70	352.87	8.82	-44.88
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=CC=NC=C2)CCO1	REAL300005947285	0	39	-1.0	-45.17	321.60	7.14	-38.03
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=CC=C(OC)C(OC)=C2OC)CCO1	REAL300005947286	0	52	-1.0	-48.29	418.84	8.20	-40.09
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C=CCC1(C(=O)[O-])CN(C(=O)C2CCC(OC3=CC=CC=C3)CC2)CCO1	REAL300005947288	0	53	-1.0	-47.34	394.62	10.00	-37.34
C=CCC1(C(=O)[O-])CN(C(=O)C2CC3=CC=CN=C3C2)CCO1	REAL300005947289	0	42	-1.0	-54.25	331.32	7.48	-46.77
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN3C(=NN=C3C3=CC=CC=C3)C=C2)CCO1	REAL300005947290	0	48	-1.0	-55.90	394.04	11.38	-44.52
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=CC(C)=CC(F)=C3N=C2)CCO1	REAL300005947291	0	44	-1.0	-47.51	360.57	8.53	-38.98
C=CCC1(C(=O)[O-])CN(C(=O)C2=COC(C3=CN(C)N=C3)=N2)CCO1	REAL300005947292	0	42	-1.0	-57.95	353.04	4.85	-53.10
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=C(OC)C=CC(C)=C3N2)CCO1	REAL300005947293	0	47	-1.0	-56.06	373.77	7.85	-48.21
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(OC)N=C3C=C2)CCO1	REAL300005947294	0	45	-1.0	-56.15	365.12	6.28	-49.87
C=CCC1(C(=O)[O-])CN(C(=O)C2=NOC(COC3=CC=C(F)C=C3)=C2)CCO1	REAL300005947295	0	46	-1.0	-54.79	386.24	8.78	-46.01
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC=C(OCCCC)C=C2)CCO1	REAL300005947296	0	52	-1.0	-58.53	411.54	10.28	-48.25
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C(C)(C)C)=CC=N2)CCO1	REAL300005947297	0	47	-1.0	-56.54	363.59	8.88	-47.66
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C3SC(C)=CN23)CCO1	REAL300005947298	0	39	-1.0	-55.99	329.78	7.75	-48.24
C=CCC1(C(=O)[O-])CN(C(=O)C(CCC)CCC2=CC=CC=C2)CCO1	REAL300005947299	0	54	-1.0	-58.35	412.64	11.71	-46.64
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC(C(C)(C)CC)CC2)CCO1	REAL300005947300	0	57	-1.0	-55.36	401.38	10.37	-44.99
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC3(CC(OC)C3)CC2)CCO1	REAL300005947301	0	53	-1.0	-54.58	395.99	8.48	-46.10
C=CCC1(C(=O)[O-])CN(C(=O)C2COC3COCC32)CCO1	REAL300005947302	0	42	-1.0	-66.22	316.14	4.10	-62.12
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=CC(C)=CC=C3N=C2)CCO1	REAL300005947303	0	44	-1.0	-47.74	354.29	8.45	-39.29
C=CCC1(C(=O)[O-])CN(C(=O)C(CC)CCC2=CC=CC=C2)CCO1	REAL300005947304	0	51	-1.0	-57.58	395.19	11.13	-46.45
C=CCC1(C(=O)[O-])CN(C(=O)C2=NOC(C3=CN(C)N=N3)=C2)CCO1	REAL300005947305	0	41	-1.0	-59.11	347.24	5.66	-53.45
C=CCC1(C(=O)[O-])CN(C(=O)CCC2=CC=C3CCOCC3=C2)CCO1	REAL300005947306	0	50	-1.0	-57.05	392.23	9.35	-47.70
C=CCC1(C(=O)[O-])CN(C(=O)C2CC23CCC(F)(F)CC3)CCO1	REAL300005947307	0	46	-1.0	-57.27	353.86	9.23	-48.04
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C([N+](=O)[O-])C(N(C)C)=C2)CCO1	REAL300005947308	0	46	-1.0	-53.70	371.33	8.66	-45.04
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)CCO1	REAL300005947309	0	45	-1.0	-63.60	375.83	6.24	-57.36
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)N=C(C3=CC=CO3)NC2=O)CCO1	REAL300005947309	1	45	-1.0	-63.60	375.83	6.24	-57.36
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=CC(C(C)(C)C)=C2)CCO1	REAL300005947310	0	47	-1.0	-47.95	364.02	7.87	-40.08
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)S2)CCO1	REAL300005947311	0	44	-1.0	-53.62	379.66	9.54	-44.08
C=CCC1(C(=O)[O-])CN(C(=O)CC2CC(OC)C2(C)C)CCO1	REAL300005947312	0	49	-1.0	-56.25	374.16	7.61	-48.64
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C=CCC1(C(=O)[O-])CN(C(=O)C2=C3N=CC=C(C(C)(C)C)N3N=C2)CCO1	REAL300005947314	0	50	-1.0	-57.27	389.47	8.81	-48.46
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC3(CC3(F)F)C2)CCO1	REAL300005947315	0	43	-1.0	-57.14	342.66	8.60	-48.54
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCC3C2C3(F)F)CCO1	REAL300005947316	0	43	-1.0	-51.10	334.61	8.41	-42.69
C=CCC1(C(=O)[O-])CN(C(=O)C2CC3(CC(=C)C3)C2)CCO1	REAL300005947317	0	44	-1.0	-55.45	345.28	9.07	-46.38
C=CCC1(C(=O)[O-])CN(C(=O)C[C@@H]2OC3=CC=CC=C3[C@@H]2C)CCO1	REAL300005947318	0	47	-1.0	-63.76	368.09	9.54	-54.22
C=CCC1(C(=O)[O-])CN(C(=O)[C@H]2CCCC[C@H]2C(C)(C)C)CCO1	REAL300005947319	0	54	-1.0	-52.29	367.03	9.83	-42.46
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)N(C)N=C2C(F)F)CCO1	REAL300005947320	0	42	-1.0	-59.70	347.99	6.53	-53.17
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C3CCCC3)=NN2)CCO1	REAL300005947321	0	46	-1.0	-54.94	357.70	7.70	-47.24
C=CCC1(C(=O)[O-])CN(C(=O)C2=NNC(C3CCCC3)=C2)CCO1	REAL300005947321	1	46	-1.0	-54.94	357.70	7.70	-47.24
C=CCC1(C(=O)[O-])CN(C(=O)C(C)OC2=CC=CC=C2OC)CCO1	REAL300005947322	0	47	-1.0	-48.26	370.49	8.44	-39.82
C=CCC1(C(=O)[O-])CN(C(=O)CN2N=CC(Cl)=C2C)CCO1	REAL300005947323	0	39	-1.0	-61.18	335.51	6.80	-54.38
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C=CCC1(C(=O)[O-])CN(C(=O)C2CCC(C3CCCO3)O2)CCO1	REAL300005947326	0	48	-1.0	-56.58	366.65	7.37	-49.21
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3N=NN(C)C3=CC=C2)CCO1	REAL300005947327	0	41	-1.0	-70.36	336.28	5.98	-64.38
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C3OCCCC3=C2)CCO1	REAL300005947328	0	43	-1.0	-54.87	341.30	4.89	-49.98
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=NC=C3)=NO2)CCO1	REAL300005947329	0	41	-1.0	-48.77	343.89	6.75	-42.02
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C(C)S3)S2)CCO1	REAL300005947330	0	39	-1.0	-53.46	341.59	8.73	-44.73
C=CCC1(C(=O)[O-])CN(C(=O)CC23CCC(CC2)C3)CCO1	REAL300005947331	0	46	-1.0	-53.83	339.55	8.99	-44.84
C=CCC1(C(=O)[O-])CN(C(=O)C2CC=CC3=CC=CC=C32)CCO1	REAL300005947332	0	44	-1.0	-46.46	346.88	9.75	-36.71
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CS2)CCO1	REAL300005947333	0	33	-1.0	-52.80	299.23	6.94	-45.86
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(C(F)(F)F)C=C3S2)CCO1	REAL300005947334	0	42	-1.0	-52.34	368.63	9.83	-42.51
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN3C=NN=C3C=N2)CCO1	REAL300005947335	0	37	-1.0	-55.04	309.51	7.68	-47.36
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2CS(N)(=O)=O)CCO1	REAL300005947336	0	47	-1.0	-58.61	389.18	3.93	-54.68
C=CCC1(C(=O)[O-])CN(C(=O)CC2(C3=CC=C(C(F)(F)F)C=C3)CC2)CCO1	REAL300005947337	0	49	-1.0	-58.69	401.24	11.39	-47.30
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CC3=NC=CC=C23)CCO1	REAL300005947338	0	41	-1.0	-56.60	331.00	7.77	-48.83
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3SC=CC3=CN=C2)CCO1	REAL300005947339	0	38	-1.0	-56.61	324.73	6.96	-49.65
C=CCC1(C(=O)[O-])CN(C(=O)CC(C)C(C)C(C)C)CCO1	REAL300005947340	0	50	-1.0	-55.71	362.86	9.00	-46.71
C=CCC1(C(=O)[O-])CN(C(=O)C2CC3(CC(OC)C3)C2)CCO1	REAL300005947341	0	47	-1.0	-56.31	365.07	7.50	-48.81
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C)=CC3=C2OCC3)CCO1	REAL300005947342	0	44	-1.0	-51.22	350.33	7.98	-43.24
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2COC(C)C)CCO1	REAL300005947343	0	52	-1.0	-55.79	409.21	9.89	-45.90
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC(C)(C)OC2)CCO1	REAL300005947344	0	46	-1.0	-51.40	344.13	6.60	-44.80
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCCC23CCC3)CCO1	REAL300005947345	0	49	-1.0	-53.46	345.17	9.12	-44.34
C=CCC1(C(=O)[O-])CN(C(=O)C23COC(C)(C2)CCC3)CCO1	REAL300005947346	0	47	-1.0	-44.58	335.53	6.40	-38.18
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=C(Cl)C=CC=C2Cl)CCO1	REAL300005947347	0	43	-1.0	-56.69	373.22	10.56	-46.13
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@H]2C2=CC=CC=C2)CCO1	REAL300005947348	0	52	-1.0	-55.29	395.33	11.16	-44.13
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(Cl)C=NN2C2CCCC2)CCO1	REAL300005947349	0	46	-1.0	-50.69	380.56	8.72	-41.97
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C3CC3)C=CO2)CCO1	REAL300005947350	0	40	-1.0	-55.88	321.69	7.97	-47.91
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=N3)=NN2)CCO1	REAL300005947351	0	42	-1.0	-55.44	347.32	6.14	-49.30
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=N3)S2)CCO1	REAL300005947352	0	42	-1.0	-55.46	357.63	8.46	-47.00
C=CCC1(C(=O)[O-])CN(C(=O)C2C(C)(C)C2(F)F)CCO1	REAL300005947353	0	39	-1.0	-54.59	313.41	7.50	-47.09
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(N(C)C)C=C3C=C2)CCO1	REAL300005947354	0	50	-1.0	-49.86	390.16	10.06	-39.80
C=CCC1(C(=O)[O-])CN(C(=O)C2C(F)(F)C23CCC3)CCO1	REAL300005947355	0	40	-1.0	-55.19	325.11	8.31	-46.88
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)C=C(S(N)(=O)=O)O2)CCO1	REAL300005947356	0	41	-1.0	-57.05	347.96	1.38	-55.67
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3CC3(F)F)C=C2)CCO1	REAL300005947357	0	43	-1.0	-56.46	353.29	9.66	-46.80
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC3(CC3(F)F)CC2)CCO1	REAL300005947358	0	46	-1.0	-46.45	351.20	9.02	-37.43
C=CCC1(C(=O)[O-])CN(C(=O)C2CC3(CC3(F)F)C2)CCO1	REAL300005947359	0	40	-1.0	-55.89	329.04	8.27	-47.62
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3CCOCC3)CC2(F)F)CCO1	REAL300005947360	0	47	-1.0	-62.12	361.50	7.38	-54.74
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3CCC3)CC2(F)F)CCO1	REAL300005947361	0	43	-1.0	-52.88	322.52	8.10	-44.78
C=CCC1(C(=O)[O-])CN(C(=O)CCC2=CC(C)=NN2)CCO1	REAL300005947362	0	42	-1.0	-56.95	340.36	6.21	-50.74
C=CCC1(C(=O)[O-])CN(C(=O)CCC2=NNC(C)=C2)CCO1	REAL300005947362	1	42	-1.0	-56.95	340.36	6.21	-50.74
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CCO1	REAL300005947363	0	51	0.0	-82.59	391.52	10.12	-72.47
C=CCC1(C(=O)[O-])CN(C(=O)C(C)CN2C=CN=C2)CCO1	REAL300005947364	0	42	-1.0	-54.72	334.19	8.12	-46.60
C=CCC1(C(=O)[O-])CN(C(=O)[C@H]2CC[C@@H](NC3=CC=CC=N3)CC2)CCO1	REAL300005947365	0	53	-1.0	-60.43	401.41	9.02	-51.41
C=CCC1(C(=O)[O-])CN(C(=O)CN2N=NC3=CC=CC=C32)CCO1	REAL300005947366	0	41	-1.0	-65.27	340.51	6.49	-58.78
C=CCC1(C(=O)[O-])CN(C(=O)C2=NC3=CC=CNC3=C2)CCO1	REAL300005947367	0	39	-1.0	-73.54	319.21	6.43	-67.11
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCC3=C2N=CN3C)CCO1	REAL300005947368	0	46	-1.0	-55.20	357.48	9.12	-46.08
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(Cl)=C(OC)C3=CC=CN=C23)CCO1	REAL300005947369	0	45	-1.0	-59.17	382.37	8.04	-51.13
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CN3N=NC=C23)CCO1	REAL300005947370	0	38	-1.0	-60.15	319.28	6.12	-54.03
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)CCO1	REAL300005947371	0	52	0.0	-84.73	400.01	9.11	-75.62
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C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)CCO1	REAL300005947475	0	56	0.0	-89.41	424.31	9.54	-79.87
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)CCO1	REAL300005947475	1	56	0.0	-91.66	423.23	9.49	-82.17
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)CCO1	REAL300005947475	1	56	0.0	-91.66	423.23	9.49	-82.17
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=NN2CC(C)C)CCO1	REAL300005947476	0	52	-1.0	-57.45	403.59	9.32	-48.13
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CN(CC(C)C)N=C2)CCO1	REAL300005947477	0	52	-1.0	-54.81	407.71	9.99	-44.82
C=CCC1(C(=O)[O-])CN(C(=O)C2CC3CCCCCCC32)CCO1	REAL300005947478	0	52	-1.0	-53.83	366.11	9.89	-43.94
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCC3(CCC3)C2)CCO1	REAL300005947479	0	49	-1.0	-52.60	362.87	9.46	-43.14
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2COC3)CCO1	REAL300005947480	0	41	-1.0	-47.74	328.95	6.76	-40.98
C=CCC1(C(=O)[O-])CN(C(=O)C2CCSC(C)C2)CCO1	REAL300005947481	0	43	-1.0	-53.58	328.51	8.18	-45.40
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CN(C3=CC=CC=C3)N=C2)CCO1	REAL300005947482	0	50	-1.0	-57.09	405.34	10.93	-46.16
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN3CC4(CC4)CC3=C2)CCO1	REAL300005947483	0	44	-1.0	-57.10	350.68	7.98	-49.12
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC=NC=C3)CC2)CCO1	REAL300005947484	0	42	-1.0	-54.76	335.47	7.43	-47.33
C=CCC1(C(=O)[O-])CN(C(=O)C(C)(C)N2C=CC(C3CC3)=N2)CCO1	REAL300005947485	0	49	-1.0	-56.29	372.45	9.10	-47.19
C=CCC1(C(=O)[O-])CN(C(=O)C[C@H](O)CCCCC)CCO1	REAL300005947486	0	48	-1.0	-60.44	373.85	6.96	-53.48
C=CCC1(C(=O)[O-])CN(C(=O)CC2CCS(=O)(=O)CC2)CCO1	REAL300005947487	0	45	-1.0	-61.72	356.21	4.70	-57.02
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)N=C3C=CC=CN32)CCO1	REAL300005947488	0	42	-1.0	-56.74	345.02	8.51	-48.23
C=CCC1(C(=O)[O-])CN(C(=O)C23CCC(OC)(CC2)C3)CCO1	REAL300005947489	0	47	-1.0	-54.71	349.71	6.70	-48.01
C=CCC1(C(=O)[O-])CN(C(=O)C23CC4CC(CC(C4)O2)C3)CCO1	REAL300005947490	0	48	-1.0	-53.25	346.38	7.71	-45.54
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC=CS3)CCOCC2)CCO1	REAL300005947491	0	47	-1.0	-50.86	362.30	7.40	-43.46
C=CCC1(C(=O)[O-])CN(C(=O)CCC2CC(OC)C2)CCO1	REAL300005947492	0	46	-1.0	-56.36	360.96	7.23	-49.13
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC3=C(C2)C(C(F)(F)F)=NN3)CCO1	REAL300005947493	0	46	-1.0	-59.01	378.31	7.32	-51.69
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=NC(CC(C)C)=N2)CCO1	REAL300005947494	0	46	-1.0	-53.13	364.03	8.24	-44.89
C=CCC1(C(=O)[O-])CN(C(=O)C(C2=CC=C(C)C=C2)C2CC2)CCO1	REAL300005947495	0	49	-1.0	-57.04	386.90	11.04	-46.00
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(CC)N=C3C=CC=CN32)CCO1	REAL300005947496	0	45	-1.0	-57.12	366.55	9.27	-47.85
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC=C(F)C=C3C)CC2)CCO1	REAL300005947497	0	46	-1.0	-53.55	363.79	9.87	-43.68
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC(F)=CC=C3C)CC2)CCO1	REAL300005947498	0	46	-1.0	-50.55	363.35	9.77	-40.78
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)CCO1	REAL300005947499	0	45	-1.0	-57.84	370.69	9.96	-47.88
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(OC)C=CC3=NC=CC=C32)CCO1	REAL300005947500	0	45	-1.0	-60.13	364.40	7.15	-52.98
C=CCC1(C(=O)[O-])CN(C(=O)C2=NOC(CC)=C2C)CCO1	REAL300005947501	0	41	-1.0	-52.85	328.59	7.52	-45.33
C=CCC1(C(=O)[O-])CN(C(=O)C2=NNC=C2C2CCC2)CCO1	REAL300005947502	0	43	-1.0	-58.70	336.83	7.14	-51.56
C=CCC1(C(=O)[O-])CN(C(=O)C2(C)CC(C)OC(C)C2)CCO1	REAL300005947503	0	49	-1.0	-50.84	351.97	6.72	-44.12
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC=C(Cl)C=C3)CC(F)(F)C2)CCO1	REAL300005947504	0	46	-1.0	-57.71	380.29	10.26	-47.45
C=CCC1(C(=O)[O-])CN(C(=O)[C@]23COC[C@H]2C3(F)F)CCO1	REAL300005947506	0	38	-1.0	-46.33	313.38	5.39	-40.94
C=CCC1(C(=O)[O-])CN(C(=O)C(F)(F)C2=CC(F)=CC=C2C)CCO1	REAL300005947507	0	42	-1.0	-54.07	341.90	9.24	-44.83
C=CCC1(C(=O)[O-])CN(C(=O)C(F)(F)C2=CC=CC=C2CC)CCO1	REAL300005947508	0	45	-1.0	-51.41	349.59	9.94	-41.47
C=CCC1(C(=O)[O-])CN(C(=O)CC(C2=CC=CC=C2)N2C=NN=N2)CCO1	REAL300005947509	0	47	-1.0	-69.06	376.71	8.84	-60.22
C=CCC1(C(=O)[O-])CN(C(=O)CC2=C3NC=CC=C3N=C2)CCO1	REAL300005947510	0	42	-1.0	-69.68	344.18	6.59	-63.09
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CNC3=C(OC)C=CC=C23)CCO1	REAL300005947511	0	47	-1.0	-62.39	378.62	7.81	-54.58
C=CCC1(C(=O)[O-])CN(C(=O)CC(C)(O)COC)CCO1	REAL300005947512	0	43	-1.0	-62.12	336.46	3.94	-58.18
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=C(Cl)C=C(F)C=C3N2)CCO1	REAL300005947513	0	40	-1.0	-52.02	346.00	8.46	-43.56
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)C3=C(CCCC3)N2)CCO1	REAL300005947514	0	47	-1.0	-53.91	365.15	8.30	-45.61
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(CC3CCC3)=CN2)CCO1	REAL300005947515	0	47	-1.0	-56.47	367.78	9.29	-47.18
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=NC(C)=C(C)N2)CCO1	REAL300005947516	0	43	-1.0	-53.39	350.00	6.99	-46.40
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=NC(C)=CN2)CCO1	REAL300005947517	0	40	-1.0	-53.59	330.31	6.48	-47.11
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(CC)SC=C2)CCO1	REAL300005947518	0	39	-1.0	-55.16	322.97	7.93	-47.23
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN(CCCC)N=N2)CCO1	REAL300005947519	0	44	-1.0	-54.56	354.84	6.74	-47.82
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(C)C(CCC)=C2)CCO1	REAL300005947520	0	45	-1.0	-57.76	357.08	7.80	-49.96
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(CCC)=NN2C)CCO1	REAL300005947521	0	45	-1.0	-52.19	354.48	7.31	-44.88
C=CCC1(C(=O)[O-])CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCO1	REAL300005947522	0	51	0.0	-71.66	361.36	8.60	-63.06
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3CCCCC3=NNC2=O)CCO1	REAL300005947523	0	45	-1.0	-56.50	348.37	5.44	-51.06
C=CCC1(C(=O)[O-])CN(C(=O)C2=NOC(CC(C)C)=C2)CCO1	REAL300005947524	0	44	-1.0	-52.35	350.29	8.15	-44.20
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCOCC3)S2)CCO1	REAL300005947525	0	46	-1.0	-54.17	372.99	6.09	-48.08
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN3C(C)=[NH+]C=C3C=C2)CCO1	REAL300005947526	0	43	0.0	-74.77	348.98	9.29	-65.48
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN3C(C)=NC=C3C=C2)CCO1	REAL300005947526	1	42	-1.0	-54.59	342.54	8.74	-45.85
C=CCC1(C(=O)[O-])CN(C(=O)C2CCC3=NC(C)=CN3C2)CCO1	REAL300005947527	0	46	-1.0	-46.06	358.78	8.25	-37.81
C=CCC1(C(=O)[O-])CN(C(=O)C2(CC3=NNN=C3)CCOCC2)CCO1	REAL300005947528	0	49	-1.0	-61.07	365.10	4.08	-56.99
C=CCC1(C(=O)[O-])CN(C(=O)C2(CC3=CNN=N3)CCOCC2)CCO1	REAL300005947528	1	49	-1.0	-62.04	361.25	4.21	-57.83
C=CCC1(C(=O)[O-])CN(C(=O)C2(CC3=NNN=C3)CCCC2)CCO1	REAL300005947529	0	48	-1.0	-60.24	361.19	6.06	-54.18
C=CCC1(C(=O)[O-])CN(C(=O)C2(CC3=CNN=N3)CCCC2)CCO1	REAL300005947529	1	48	-1.0	-70.41	362.05	6.27	-64.14
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C3COCCC3=C2)CCO1	REAL300005947530	0	43	-1.0	-53.63	340.37	5.57	-48.06
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2CC)CCO1	REAL300005947531	0	44	-1.0	-52.42	358.05	9.41	-43.01
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(CC(F)(F)F)C(C)=C2)CCO1	REAL300005947532	0	42	-1.0	-59.05	353.11	7.52	-51.53
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN(C)C3=C(Cl)C=CC=C23)CCO1	REAL300005947533	0	43	-1.0	-58.36	358.79	9.49	-48.87
C=CCC1(C(=O)[O-])CN(C(=O)C2=NOC(C3CC3)=C2C)CCO1	REAL300005947534	0	42	-1.0	-52.45	339.14	8.31	-44.14
C=CCC1(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC=C3)=C2C)CCO1	REAL300005947535	0	45	-1.0	-51.89	366.61	9.74	-42.15
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=C(Br)C=CS2)CCO1	REAL300005947536	0	37	-1.0	-44.22	336.75	8.56	-35.66
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=C(Br)SC=C2)CCO1	REAL300005947537	0	37	-1.0	-45.30	336.02	8.57	-36.73
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(F)C=CC3=NNC=C32)CCO1	REAL300005947538	0	39	-1.0	-57.17	330.12	6.35	-50.82
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(CC)=CC=N2)CCO1	REAL300005947539	0	41	-1.0	-57.22	329.66	7.94	-49.28
C=CCC1(C(=O)[O-])CN(C(=O)C23CC(C(F)(F)F)(C2)CO3)CCO1	REAL300005947540	0	41	-1.0	-45.19	339.08	6.14	-39.05
C=CCC1(C(=O)[O-])CN(C(=O)C=CC2=CN=CC(F)=C2)CCO1	REAL300005947541	0	39	-1.0	-46.26	327.27	7.26	-39.00
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=CC(N3C=CC=N3)=N2)CCO1	REAL300005947542	0	41	-1.0	-52.18	341.49	6.90	-45.28
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(F)=CC3=CN=CC=C32)CCO1	REAL300005947543	0	41	-1.0	-55.30	337.38	7.94	-47.36
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CN=NN3C)C=C2)CCO1	REAL300005947544	0	45	-1.0	-57.97	361.17	7.11	-50.86
C=CCC1(C(=O)[O-])CN(C(=O)C2=NC=CC=C2C(C)(C)C)CCO1	REAL300005947545	0	47	-1.0	-56.25	352.54	8.54	-47.71
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(F)=C3C)CC2)CCO1	REAL300005947546	0	46	-1.0	-56.81	360.37	9.76	-47.05
C=CCC1(C(=O)[O-])CN(C(=O)C2(C3=CC=CS3)CCCC2)CCO1	REAL300005947547	0	46	-1.0	-51.44	357.45	9.28	-42.16
C=CCC1(C(=O)[O-])CN(C(=O)C(C2=CC=CS2)C2CCCCC2)CCO1	REAL300005947548	0	52	-1.0	-56.08	399.30	11.00	-45.08
C=CCC1(C(=O)[O-])CN(C(=O)CCC(=O)C2=CC=C3CCCCC3=C2)CCO1	REAL300005947549	0	54	-1.0	-55.07	421.54	11.60	-43.47
C=CCC1(C(=O)[O-])CN(C(=O)C2(C#N)CC3CC3C2)CCO1	REAL300005947550	0	41	-1.0	-52.85	322.23	7.63	-45.22
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2CCCO[C@H]2C(=C)C)CCO1	REAL300005947551	0	47	-1.0	-52.12	361.15	7.33	-44.79
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=NNN=C3C(C)=C2)CCO1	REAL300005947552	0	41	-1.0	-55.29	333.22	5.30	-49.99
C=CCC1(C(=O)[O-])CN(C(=O)C2=NC=C3C=CSC3=C2)CCO1	REAL300005947553	0	38	-1.0	-57.56	323.74	7.89	-49.67
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC(OC(F)F)=C3O2)CCO1	REAL300005947554	0	43	-1.0	-54.15	360.19	7.77	-46.38
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CC(C(F)(F)F)=NN2C)CCO1	REAL300005947555	0	42	-1.0	-59.68	359.23	6.90	-52.78
C=CCC1(C(=O)[O-])CN(C(=O)CC2CC(C)OC2C)CCO1	REAL300005947556	0	46	-1.0	-55.38	353.55	7.07	-48.31
C=CCC1(C(=O)[O-])CN(C(=O)C2CCN3C=C(CC)N=C3C2)CCO1	REAL300005947557	0	49	-1.0	-49.58	380.26	9.03	-40.55
C=CCC1(C(=O)[O-])CN(C(=O)CC2CCCC3CCCCC23)CCO1	REAL300005947558	0	55	-1.0	-55.93	394.97	10.92	-45.01
C=CCC1(C(=O)[O-])CN(C(=O)C2=CSC3=CC=CC(OC)=C23)CCO1	REAL300005947559	0	43	-1.0	-58.74	356.84	9.28	-49.46
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3C=CC=CC3=NS2)CCO1	REAL300005947560	0	38	-1.0	-54.62	322.85	7.41	-47.21
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)C=C(F)S2)CCO1	REAL300005947561	0	36	-1.0	-51.12	307.59	7.24	-43.88
C=CCC1(C(=O)[O-])CN(C(=O)[C@@H]2[C@H](C(F)F)C2(C)C)CCO1	REAL300005947562	0	42	-1.0	-58.24	324.78	7.95	-50.29
C=CCC1(C(=O)[O-])CN(C(=O)C2=C3N=NN(C)C3=CC=C2)CCO1	REAL300005947563	0	41	-1.0	-70.36	336.28	5.98	-64.38
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=CC=N2)CCO1	REAL300005947564	0	42	-1.0	-57.00	336.12	8.60	-48.40
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C(OC)N=C2C)CCO1	REAL300005947565	0	41	-1.0	-51.88	332.49	2.68	-49.20
C=CCC1(C(=O)[O-])CN(C(=O)C(C)CC2=CC=NC=C2)CCO1	REAL300005947566	0	44	-1.0	-44.70	347.07	7.67	-37.03
C=CCC1(C(=O)[O-])CN(C(=O)C2CC(N3C=CN=C3)C2)CCO1	REAL300005947567	0	43	-1.0	-56.76	342.41	8.65	-48.11
C=CCC1(C(=O)[O-])CN(C(=O)C2CCCN3C=NN=C23)CCO1	REAL300005947568	0	42	-1.0	-58.15	330.84	8.23	-49.92
C=CCC1(C(=O)[O-])CN(C(=O)C(O)C2=CC=CC(C)=C2)CCO1	REAL300005947569	0	43	-1.0	-55.35	340.35	6.81	-48.54
C=CCC1(C(=O)[O-])CN(C(=O)C2(CC3=CC=C(O)C=C3)CC2)CCO1	REAL300005947570	0	47	-1.0	-60.24	378.00	7.46	-52.78
C=CCC1(C(=O)[O-])CN(C(=O)C(C)(C)CC2=NNN=C2)CCO1	REAL300005947571	0	44	-1.0	-54.65	334.33	4.93	-49.72
C=CCC1(C(=O)[O-])CN(C(=O)C(C)(C)CC2=CNN=N2)CCO1	REAL300005947571	1	44	-1.0	-57.45	334.34	5.02	-52.43
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)N=C(C3CCOCC3)N=C2C)CCO1	REAL300005947572	0	54	-1.0	-51.89	418.27	7.19	-44.70
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCC3=O)N2)CCO1	REAL300005947573	0	43	-1.0	-63.85	342.65	7.29	-56.56
C=CCC1(C(=O)[O-])CN(C(=O)C2=COC(CN3C=CC=N3)=C2)CCO1	REAL300005947574	0	43	-1.0	-56.02	357.74	7.32	-48.70
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(OC)C=CC(Cl)=C2F)CCO1	REAL300005947575	0	40	-1.0	-60.91	348.36	7.50	-53.41
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COC1=CC(CNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)=CC=C1Cl	REAL300005947712	0	38	-1.0	-58.40	355.66	8.31	-50.09
COC1=CC(CNC(=O)CCC2=CC=CN=C2C(=O)[O-])=CC=C1Cl	REAL300005947713	0	40	-1.0	-56.65	353.63	6.51	-50.14
COC1=CC(CNC(=O)C23CC(C(=O)[O-])(C2)CO3)=CC=C1Cl	REAL300005947714	0	37	-1.0	-45.41	331.05	4.54	-40.87
COC1=CC(CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300005947715	0	39	-1.0	-52.92	355.01	8.23	-44.69
COC1=CC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)=CC=C1Cl	REAL300005947716	0	42	-1.0	-42.87	351.63	7.74	-35.13
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COC1=CC(CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)=CC=C1Cl	REAL300005947719	0	36	-1.0	-49.81	345.86	6.18	-43.63
COC1=CC(CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)=CC=C1Cl	REAL300005947720	0	36	-1.0	-47.57	337.02	5.19	-42.38
COC1=CC(CNC(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Cl	REAL300005947721	0	38	-1.0	-54.22	330.65	7.60	-46.62
COC1=CC(CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)=CC=C1Cl	REAL300005947722	0	38	-1.0	-54.93	350.79	6.45	-48.48
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COC1=CC(CNC(=O)CC2=CC=C(C(=O)[O-])C=C2C)=CC=C1Cl	REAL300005947728	0	41	-1.0	-60.41	361.87	8.19	-52.22
COC1=CC(CNC(=O)CC2=CC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300005947729	0	35	-1.0	-58.11	336.71	6.86	-51.25
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COC1=CC(CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)=CC=C1Cl	REAL300005947732	0	42	-1.0	-47.06	369.50	8.57	-38.49
COC1=CC(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)=CC=C1Cl	REAL300005947733	0	45	-1.0	-50.48	364.06	7.94	-42.54
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COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=CC(CCF)=C2)=C1	REAL300007562002	0	37	-1.0	-45.42	326.49	6.24	-39.18
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CC1=C(C(=O)NC2=CC=CC(CCF)=C2)C=C(C(=O)[O-])S1	REAL300007562005	0	34	-1.0	-45.91	307.91	8.49	-37.42
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COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC=CC(CCF)=C2)=C1	REAL300007562007	0	38	-1.0	-53.93	336.07	8.32	-45.61
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC=CC(CCF)=C1	REAL300007562008	0	37	-1.0	-47.25	326.61	9.05	-38.20
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CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=CC(CCF)=C1	REAL300007562016	0	37	-1.0	-55.41	308.47	9.21	-46.20
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CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=CC(CCF)=C1	REAL300007562020	0	40	-1.0	-61.46	339.77	9.80	-51.66
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CCC(C)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562025	0	41	-1.0	-59.41	334.05	7.58	-51.83
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562026	0	32	-1.0	-62.32	285.81	5.97	-56.35
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CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562028	0	35	-1.0	-64.52	316.08	2.51	-62.01
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COC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1OC	REAL300007562030	0	40	-1.0	-63.73	323.22	4.54	-59.19
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562031	0	32	-1.0	-58.10	281.04	5.84	-52.26
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007562032	0	45	-1.0	-59.04	357.22	8.80	-50.24
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007562033	0	35	-1.0	-52.94	293.35	3.20	-49.74
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007562034	0	29	-1.0	-59.75	265.79	5.28	-54.47
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007562035	0	29	-1.0	-47.44	270.12	4.67	-42.77
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562036	0	34	-1.0	-83.04	278.29	6.61	-76.43
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007562037	0	35	-1.0	-61.61	317.03	7.05	-54.56
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562038	0	39	-1.0	-73.41	340.17	1.47	-71.94
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562039	0	40	-1.0	-61.62	337.98	6.83	-54.79
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CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300007562041	0	35	-1.0	-56.66	304.38	2.61	-54.05
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562042	0	38	-1.0	-73.23	340.40	3.21	-70.02
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1C	REAL300007562043	0	39	-1.0	-60.79	310.84	4.87	-55.92
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007562044	0	34	-1.0	-63.49	311.85	5.22	-58.27
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007562045	0	32	-1.0	-61.20	300.10	6.39	-54.81
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007562046	0	34	-1.0	-48.51	289.85	4.43	-44.08
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562047	0	46	-1.0	-64.89	393.35	4.17	-60.72
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007562048	0	38	-1.0	-57.47	324.16	5.20	-52.27
CCN1N=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1C	REAL300007562049	0	38	-1.0	-57.36	313.31	4.87	-52.49
CC(C)CN1C=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562050	0	38	-1.0	-62.90	321.95	5.68	-57.22
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562051	0	41	-1.0	-51.43	305.08	6.90	-44.53
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007562052	0	42	-1.0	-67.98	355.92	7.11	-60.87
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562053	0	37	-1.0	-62.76	314.88	3.45	-59.31
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007562054	0	35	-1.0	-57.43	322.30	6.13	-51.30
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1OC	REAL300007562055	0	37	-1.0	-49.09	320.99	3.74	-45.35
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(OC)C=C1Br	REAL300007562056	0	37	-1.0	-60.33	331.07	4.46	-55.87
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Br	REAL300007562057	0	32	-1.0	-44.14	288.37	5.23	-38.91
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007562058	0	35	-1.0	-60.33	307.19	6.94	-53.39
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007562059	0	34	-1.0	-44.38	306.51	6.10	-38.28
COCCOC1=C(Cl)C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300007562060	0	40	-1.0	-45.04	369.88	4.78	-40.26
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007562061	0	33	-1.0	-49.70	294.32	3.69	-46.01
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007562062	0	36	-1.0	-61.54	318.02	6.22	-55.32
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562063	0	44	-1.0	-57.25	353.14	6.42	-50.83
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007562064	0	32	-1.0	-58.40	287.57	5.86	-52.54
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562065	0	40	-1.0	-66.97	336.28	4.21	-62.76
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C=C1	REAL300007565001	0	36	-1.0	-56.26	343.61	5.76	-50.50
COC1=CC(F)=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300007565002	0	36	-1.0	-55.57	332.66	4.66	-50.91
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300007565002	1	35	-2.0	-102.68	330.43	4.27	-98.41
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C=C1	REAL300007565003	0	36	-1.0	-56.60	340.17	4.73	-51.87
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565004	0	38	-1.0	-55.77	339.09	5.02	-50.75
CN1C=CC2=CC(S(=O)(=O)NCC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300007565005	0	39	-1.0	-57.90	348.39	6.84	-51.06
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C=C1	REAL300007565006	0	41	-1.0	-55.93	373.57	5.57	-50.36
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565007	0	45	-1.0	-57.16	384.33	7.37	-49.79
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C=C1	REAL300007565008	0	43	-1.0	-57.45	383.36	7.93	-49.52
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565009	0	38	-1.0	-58.89	331.58	7.09	-51.80
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C=C1	REAL300007565010	0	33	-1.0	-55.30	329.85	3.95	-51.35
C=C(C)COC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565011	0	43	-1.0	-56.91	378.01	6.69	-50.22
CCN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300007565012	0	42	-1.0	-56.40	359.85	5.32	-51.08
CC1=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C2=NSN=C2C=C1	REAL300007565013	0	36	-1.0	-60.29	323.54	3.98	-56.31
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C=C1	REAL300007565014	0	38	-1.0	-55.08	357.31	7.86	-47.22
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1	REAL300007565015	0	31	-1.0	-58.21	322.01	3.06	-55.15
CCC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300007565016	0	38	-1.0	-53.60	353.70	6.96	-46.64
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565017	0	45	-1.0	-54.17	381.44	6.27	-47.90
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300007565018	0	29	-1.0	-54.02	284.94	3.23	-50.79
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300007565019	0	29	-1.0	-53.59	303.48	4.60	-48.99
COCCC1=CC=C(OC)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565020	0	46	-1.0	-56.73	391.76	5.42	-51.31
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C=C1	REAL300007565021	0	38	-1.0	-54.67	342.02	7.39	-47.28
CN1N=C2CCOCC2=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565022	0	40	-1.0	-54.96	345.32	2.76	-52.20
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300007565023	0	39	-1.0	-54.72	337.53	7.31	-47.41
CC1(C)CCN(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007565024	0	43	-1.0	-53.35	345.21	5.06	-48.29
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C=C1	REAL300007565025	0	47	-1.0	-56.01	396.56	5.46	-50.55
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565026	0	35	-1.0	-53.48	329.81	2.79	-50.69
COC1=NC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300007565027	0	38	-1.0	-55.44	341.99	2.50	-52.94
CC(C)CN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007565028	0	41	-1.0	-56.75	357.61	5.23	-51.52
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565029	0	41	-1.0	-56.49	359.89	4.74	-51.75
O=C([O-])C1=CC=C(CNS(=O)(=O)N2CCN(CC(F)F)CC2)C=C1	REAL300007565030	0	42	-1.0	-56.53	356.91	2.85	-53.68
COCC1=CC(CS(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=NO1	REAL300007565031	0	38	-1.0	-62.64	349.02	2.97	-59.67
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)N=C1	REAL300007565032	0	43	-1.0	-55.16	367.07	5.47	-49.69
CC(C)N1N=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565033	0	38	-1.0	-53.92	334.72	4.27	-49.65
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300007565034	0	39	-1.0	-56.26	342.26	4.92	-51.34
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1	REAL300007565035	0	39	-1.0	-60.28	348.26	6.02	-54.26
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(C(F)F)C=N2)C=C1	REAL300007565036	0	34	-1.0	-56.55	322.87	4.00	-52.55
O=C([O-])C1=CC=C(CNS(=O)(=O)N2CCC3=CC=CN=C32)C=C1	REAL300007565037	0	37	-1.0	-59.94	329.78	5.47	-54.47
CC1=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=NN1C(C)C	REAL300007565038	0	41	-1.0	-56.77	359.27	4.84	-51.93
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007565039	0	46	-1.0	-55.88	403.48	8.65	-47.23
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=NC=CC3=CC=CC=C32)C=C1	REAL300007565040	0	37	-1.0	-57.55	331.28	5.58	-51.97
CC1=CN=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300007565041	0	37	-1.0	-55.71	327.17	4.67	-51.04
CC1=CN=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565042	0	34	-1.0	-54.63	305.08	4.18	-50.45
O=C([O-])C1=CC=C(CNS(=O)(=O)N2CC=C(Br)CC2)C=C1	REAL300007565043	0	35	-1.0	-55.40	326.12	4.80	-50.60
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565044	0	40	-1.0	-65.16	352.09	0.92	-64.24
O=C([O-])C1=CC=C(CNS(=O)(=O)N2CC3CCC(C2)O3)C=C1	REAL300007565045	0	39	-1.0	-54.21	326.11	3.21	-51.00
N#CC1CCN(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007565046	0	38	-1.0	-60.03	331.08	4.45	-55.58
COC1=CC=NC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565047	0	35	-1.0	-57.69	320.25	2.50	-55.19
C=CCN(CC=C)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565048	0	38	-1.0	-53.93	335.18	4.98	-48.95
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(C(F)F)=C1	REAL300007565049	0	39	-1.0	-55.73	351.45	5.45	-50.28
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)N=C1	REAL300007565050	0	35	-1.0	-56.05	320.09	2.44	-53.61
CC1=CC=CN=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565051	0	34	-1.0	-56.46	306.21	4.01	-52.45
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565052	0	38	-1.0	-53.81	351.95	3.26	-50.55
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=NC3=CC=CC=C32)C=C1	REAL300007565053	0	37	-1.0	-56.13	331.28	5.52	-50.61
CCOC1=CC=CN=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007565054	0	38	-1.0	-59.23	339.57	4.37	-54.86
CC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300007565055	0	40	-1.0	-58.33	344.62	6.74	-51.59
CC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC=N1	REAL300007565056	0	34	-1.0	-55.12	311.47	3.90	-51.22
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CNC3=CC=CC=C23)C=C1	REAL300007565057	0	36	-1.0	-57.01	321.25	4.72	-52.29
O=C([O-])C1=CC=C(CNS(=O)(=O)N2CCC(F)(F)C2)C=C1	REAL300007565058	0	34	-1.0	-54.47	311.65	3.58	-50.89
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(C(F)F)=CC=N2)C=C1	REAL300007565059	0	34	-1.0	-60.04	324.88	4.12	-55.92
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)C=C1	REAL300007565060	0	39	-1.0	-57.18	360.20	5.71	-51.47
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565061	0	45	-1.0	-55.17	374.65	7.03	-48.14
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565062	0	37	-1.0	-56.51	300.98	6.10	-50.41
CCC(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565063	0	44	-1.0	-54.91	338.31	8.30	-46.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007565064	0	29	-1.0	-48.59	271.40	5.34	-43.25
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565065	0	39	-1.0	-60.36	312.69	6.16	-54.20
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565066	0	35	-1.0	-51.79	298.03	6.82	-44.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007565067	0	36	-1.0	-52.42	307.76	5.94	-46.48
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565068	0	38	-1.0	-60.41	320.35	3.23	-57.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007565069	0	36	-1.0	-48.10	306.49	5.50	-42.60
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300007565070	0	43	-1.0	-55.53	335.29	5.41	-50.12
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565071	0	35	-1.0	-51.73	280.46	6.37	-45.36
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565072	0	38	-1.0	-53.44	296.84	4.86	-48.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007565073	0	48	-1.0	-54.56	361.48	9.52	-45.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007565074	0	38	-1.0	-54.62	305.40	4.85	-49.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007565075	0	32	-1.0	-51.44	265.26	5.71	-45.73
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007565076	0	32	-1.0	-49.76	281.80	6.33	-43.43
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565077	0	37	-1.0	-44.10	277.25	6.57	-37.53
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007565078	0	38	-1.0	-50.00	324.85	7.70	-42.30
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565079	0	42	-1.0	-59.13	346.18	2.26	-56.87
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565080	0	43	-1.0	-58.63	342.07	7.54	-51.09
CC1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565081	0	35	-1.0	-56.98	288.49	6.42	-50.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007565082	0	38	-1.0	-54.17	306.18	6.12	-48.05
COCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565083	0	39	-1.0	-55.60	314.72	5.44	-50.16
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007565084	0	38	-1.0	-53.45	309.75	3.28	-50.17
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565085	0	41	-1.0	-68.67	344.67	3.92	-64.75
CS(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565086	0	37	-1.0	-63.64	311.85	1.72	-61.92
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300007565087	0	42	-1.0	-52.98	321.69	6.14	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007565088	0	37	-1.0	-53.46	318.67	5.79	-47.67
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007565089	0	35	-1.0	-51.24	307.92	7.03	-44.21
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007565090	0	37	-1.0	-59.36	300.66	6.08	-53.28
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007565091	0	41	-1.0	-60.37	333.76	6.85	-53.52
CCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007565092	0	41	-1.0	-53.49	318.66	5.72	-47.77
CC(C)N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007565093	0	38	-1.0	-57.93	305.69	4.72	-53.21
CC(C)CN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565094	0	41	-1.0	-65.14	326.25	7.61	-57.53
CC(C)N1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565095	0	38	-1.0	-64.86	307.13	6.74	-58.12
CC(C)C1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1	REAL300007565096	0	38	-1.0	-53.33	304.68	4.08	-49.25
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565097	0	44	-1.0	-55.81	311.00	8.12	-47.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007565098	0	45	-1.0	-58.04	356.08	7.96	-50.08
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565099	0	40	-1.0	-70.81	326.86	5.07	-65.74
COC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300007565100	0	40	-1.0	-50.05	332.08	5.18	-44.87
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007565101	0	35	-1.0	-55.61	300.16	6.86	-48.75
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565102	0	35	-1.0	-50.46	268.55	5.83	-44.63
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007565103	0	38	-1.0	-53.28	306.89	7.78	-45.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007565104	0	37	-1.0	-49.20	313.57	7.37	-41.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007565105	0	36	-1.0	-52.26	306.42	5.33	-46.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007565106	0	39	-1.0	-53.51	320.43	7.24	-46.27
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565107	0	47	-1.0	-58.51	357.59	6.82	-51.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007565108	0	35	-1.0	-51.25	293.82	6.64	-44.61
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565109	0	43	-1.0	-61.82	346.36	5.21	-56.61
O=C([O-])C1CCN(S(=O)(=O)N2CC=C(Br)CC2)CC1	REAL300007567001	0	35	-1.0	-47.64	302.68	4.60	-43.04
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007567002	0	40	-1.0	-59.85	330.80	0.80	-59.05
O=C([O-])C1CCN(S(=O)(=O)N2CC3CCC(C2)O3)CC1	REAL300007567003	0	39	-1.0	-50.92	304.20	3.08	-47.84
N#CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300007567004	0	38	-1.0	-48.83	312.87	4.50	-44.33
COC1=CC=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007567005	0	35	-1.0	-50.60	300.86	2.43	-48.17
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C(F)F)=C1	REAL300007567006	0	39	-1.0	-45.85	319.86	5.30	-40.55
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)N=C1	REAL300007567007	0	35	-1.0	-51.19	300.00	2.42	-48.77
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007567008	0	38	-1.0	-50.30	334.16	3.18	-47.12
O=C([O-])C1CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)CC1	REAL300007567009	0	37	-1.0	-48.81	303.66	5.38	-43.43
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007567010	0	38	-1.0	-54.31	320.39	4.17	-50.14
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300007567011	0	40	-1.0	-57.82	326.70	6.42	-51.40
O=C([O-])C1CCN(S(=O)(=O)C2=CNC3=CC=CC=C32)CC1	REAL300007567012	0	36	-1.0	-54.92	303.69	4.86	-50.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)CC1	REAL300007567013	0	34	-1.0	-52.46	305.49	4.04	-48.42
O=C([O-])C1CCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)CC1	REAL300007567014	0	39	-1.0	-54.00	342.64	5.85	-48.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007567015	0	45	-1.0	-49.15	353.20	6.90	-42.25
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567016	0	43	-1.0	-53.85	346.21	6.04	-47.81
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567017	0	38	-1.0	-47.03	318.00	3.99	-43.04
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567018	0	34	-1.0	-55.80	306.07	4.98	-50.82
CC(C)C(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007567019	0	35	-1.0	-42.69	310.63	3.85	-38.84
CC(C)C(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007567020	0	37	-1.0	-59.60	328.23	0.97	-58.63
CC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007567021	0	35	-1.0	-40.95	314.87	3.30	-37.65
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OC	REAL300007567022	0	42	-1.0	-56.11	341.59	3.54	-52.57
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567023	0	34	-1.0	-52.39	301.53	4.85	-47.54
CC(C)C(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007567024	0	47	-1.0	-44.52	370.71	7.32	-37.20
CC(C)C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007567025	0	37	-1.0	-45.37	310.22	2.61	-42.76
CC(C)C(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007567026	0	31	-1.0	-54.30	285.21	4.24	-50.06
CC(C)C(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007567027	0	31	-1.0	-51.34	288.85	4.07	-47.27
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567028	0	36	-1.0	-58.84	301.69	5.79	-53.05
CC(C)C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007567029	0	37	-1.0	-55.27	329.39	5.45	-49.82
CC(C)C(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007567030	0	41	-1.0	-65.13	353.20	0.13	-65.00
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567031	0	42	-1.0	-52.81	355.44	5.38	-47.43
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007567032	0	37	-1.0	-54.02	319.77	4.08	-49.94
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567033	0	38	-1.0	-55.29	327.91	3.26	-52.03
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007567034	0	37	-1.0	-50.36	316.62	1.06	-49.30
CC(C)C(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007567035	0	40	-1.0	-66.62	351.93	1.68	-64.94
CC(C)C(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007567036	0	36	-1.0	-70.84	321.69	-0.45	-71.29
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1C	REAL300007567037	0	41	-1.0	-54.77	329.08	4.32	-50.45
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007567038	0	36	-1.0	-45.13	331.27	4.06	-41.07
CC(C)C(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007567039	0	34	-1.0	-56.47	317.76	4.85	-51.62
CC(C)C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007567040	0	36	-1.0	-45.52	310.32	3.93	-41.59
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567041	0	48	-1.0	-59.35	408.97	2.70	-56.65
CC(C)C(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007567042	0	41	-1.0	-57.70	340.74	-0.89	-58.59
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300007567043	0	40	-1.0	-57.56	344.57	4.80	-52.76
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007567044	0	40	-1.0	-51.39	324.47	3.29	-48.10
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567045	0	40	-1.0	-53.19	332.67	5.40	-47.79
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007567046	0	43	-1.0	-57.28	316.45	5.82	-51.46
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007567047	0	44	-1.0	-49.34	366.83	6.28	-43.06
CC(C)C(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007567048	0	39	-1.0	-51.68	335.82	2.95	-48.73
CC(C)C(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007567049	0	37	-1.0	-51.36	339.13	4.70	-46.66
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OC	REAL300007567050	0	39	-1.0	-53.60	342.54	3.26	-50.34
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(OC)C=C1Br	REAL300007567051	0	39	-1.0	-43.21	347.95	3.36	-39.85
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007567052	0	34	-1.0	-54.38	307.01	4.63	-49.75
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007567053	0	37	-1.0	-45.13	329.30	6.40	-38.73
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007567054	0	36	-1.0	-47.34	321.04	5.68	-41.66
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007567055	0	35	-1.0	-51.82	312.31	3.12	-48.70
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007567056	0	38	-1.0	-53.30	335.32	4.89	-48.41
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567057	0	46	-1.0	-55.32	363.44	4.49	-50.83
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007567058	0	34	-1.0	-53.66	305.02	4.38	-49.28
COCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567059	0	42	-1.0	-50.00	351.66	3.05	-46.95
COC1=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C=CS1	REAL300007568001	0	39	-1.0	-46.15	346.26	5.34	-40.81
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2C2CCCC2)C=C1	REAL300007568002	0	48	-1.0	-45.58	397.34	7.20	-38.38
CCC(C)N1N=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007568003	0	47	-1.0	-44.24	382.51	6.14	-38.10
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C(C)(C)C)C=C1	REAL300007568004	0	45	-1.0	-47.14	343.00	6.32	-40.82
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)O1	REAL300007568005	0	41	-1.0	-53.49	353.86	5.97	-47.52
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C2CCCCCC2)C=C1	REAL300007568006	0	52	-1.0	-49.77	392.65	7.10	-42.67
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C=C1	REAL300007568007	0	44	-1.0	-47.22	383.30	8.03	-39.19
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1	REAL300007568008	0	42	-1.0	-47.37	369.33	6.09	-41.28
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300007568009	0	39	-1.0	-44.26	354.41	5.01	-39.25
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C=C1	REAL300007568010	0	49	-1.0	-52.44	402.48	8.86	-43.58
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C=C1	REAL300007568011	0	46	-1.0	-40.52	385.12	6.86	-33.66
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(CCF)N=C2)C=C1	REAL300007568012	0	41	-1.0	-45.34	363.62	5.20	-40.14
CCOCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007568013	0	48	-1.0	-45.72	407.00	7.20	-38.52
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C=C1	REAL300007568014	0	48	-1.0	-54.85	398.76	8.01	-46.84
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1	REAL300007568015	0	51	-1.0	-47.64	417.29	7.43	-40.21
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2CF)C=C1	REAL300007568016	0	41	-1.0	-55.78	342.64	7.99	-47.79
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=CC(C)=C2)C=C1	REAL300007568017	0	40	-1.0	-52.18	343.15	5.16	-47.02
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C=C1	REAL300007568018	0	47	-1.0	-59.86	387.69	10.29	-49.57
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C=C1	REAL300007568019	0	48	-1.0	-53.15	397.53	7.89	-45.26
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CC3CC2C3)C=C1	REAL300007568020	0	41	-1.0	-56.35	340.82	6.32	-50.03
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C=CC2=CC=C(F)C=C2)C=C1	REAL300007568021	0	42	-1.0	-50.36	366.25	7.61	-42.75
CCOCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007568022	0	44	-1.0	-42.27	369.42	5.01	-37.26
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COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=CC=C1Br	REAL300007568181	0	39	-1.0	-40.31	321.07	4.57	-35.74
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CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300007568188	0	47	-1.0	-60.68	373.67	4.00	-56.68
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CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007568192	0	46	-1.0	-69.12	350.37	4.69	-64.43
CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300007568193	0	44	-1.0	-43.32	340.43	6.98	-36.34
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CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300007568195	0	44	-1.0	-54.18	353.33	3.02	-51.16
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007568196	0	45	-1.0	-45.40	364.05	2.22	-43.18
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COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=C1C1=CC=CC=C1	REAL300007568198	0	49	-1.0	-57.56	378.56	7.87	-49.69
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CCS(=O)(=O)NCCS(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007568203	0	42	-1.0	-45.71	337.62	-0.44	-46.15
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COCCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300007568654	0	49	-1.0	-44.83	379.95	5.21	-39.62
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CCCCC1	REAL300007568655	0	41	-1.0	-45.34	336.90	7.44	-37.90
CN1N=C2CCOCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007568656	0	43	-1.0	-54.31	320.98	2.67	-51.64
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2CC2)CCCCC1	REAL300007568657	0	42	-1.0	-42.51	316.57	6.73	-35.78
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CCCCC1	REAL300007568658	0	50	-1.0	-56.99	372.22	5.19	-51.80
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007568659	0	38	-1.0	-41.25	318.78	2.33	-38.92
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=C1C	REAL300007568660	0	41	-1.0	-55.18	318.05	2.18	-53.00
CC(C)CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=N1	REAL300007568661	0	44	-1.0	-59.17	333.78	4.85	-54.32
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007568662	0	44	-1.0	-45.68	341.37	4.18	-41.50
COCC1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCCC2)=NO1	REAL300007568663	0	41	-1.0	-46.72	327.58	2.69	-44.03
CC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007568664	0	41	-1.0	-53.28	312.31	4.18	-49.10
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CC2)CCCCC1	REAL300007568665	0	42	-1.0	-48.36	331.57	4.71	-43.65
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CCCCC1	REAL300007568666	0	42	-1.0	-55.83	320.63	5.97	-49.86
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=NN1C(C)C	REAL300007568667	0	44	-1.0	-46.77	341.42	4.38	-42.39
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300007568668	0	49	-1.0	-44.25	380.18	8.16	-36.09
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C(C(F)F)=C1	REAL300007568669	0	42	-1.0	-43.30	324.53	5.23	-38.07
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007568670	0	41	-1.0	-40.58	340.41	2.98	-37.60
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C2=NC=CC=C12	REAL300007568671	0	43	-1.0	-52.32	336.30	5.58	-46.74
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC=C23)CCCCC1	REAL300007568672	0	39	-1.0	-45.96	312.05	4.58	-41.38
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)CCCCC1	REAL300007568673	0	42	-1.0	-41.66	350.80	5.55	-36.11
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300007568674	0	48	-1.0	-63.50	360.25	6.99	-56.51
CC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568675	0	25	-1.0	-43.39	250.20	2.97	-40.42
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568676	0	31	-1.0	-57.18	298.39	-0.24	-57.42
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007568677	0	27	-1.0	-46.98	264.49	2.05	-44.93
O=C([O-])CNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007568678	0	25	-1.0	-46.52	258.42	2.88	-43.64
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568679	0	39	-1.0	-50.33	355.08	0.64	-49.69
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007568680	0	35	-1.0	-51.75	317.56	4.49	-47.26
O=C([O-])CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007568681	0	28	-1.0	-43.71	280.34	2.70	-41.01
COC1=CC(Cl)=C(S(=O)(=O)NCC(=O)[O-])C=C1OC	REAL300007568682	0	30	-1.0	-46.01	273.70	0.81	-45.20
COC1=CC(S(=O)(=O)NCC(=O)[O-])=C(OC)C=C1Br	REAL300007568683	0	30	-1.0	-45.38	283.75	1.34	-44.04
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007568684	0	25	-1.0	-44.57	252.87	2.75	-41.82
O=C([O-])CNS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007568685	0	32	-1.0	-45.43	308.84	5.59	-39.84
O=C([O-])CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007568686	0	27	-1.0	-43.50	266.53	3.79	-39.71
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300007568687	0	33	-1.0	-43.53	334.32	2.28	-41.25
O=C([O-])CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007568688	0	29	-1.0	-47.62	270.63	3.24	-44.38
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007569001	0	37	-1.0	-44.31	340.25	1.35	-42.96
CN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007569002	0	33	-1.0	-55.02	301.02	5.13	-49.89
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300007569003	0	33	-1.0	-67.21	292.66	6.68	-60.53
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007569004	0	36	-1.0	-47.55	328.36	1.56	-45.99
CN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007569005	0	37	-1.0	-64.05	319.89	2.91	-61.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007569006	0	31	-1.0	-58.08	293.45	1.07	-57.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007569007	0	35	-1.0	-59.04	303.12	7.37	-51.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007569008	0	35	-1.0	-46.17	306.92	6.96	-39.21
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)CC(=O)[O-])C=CC=C12	REAL300007569009	0	39	-1.0	-54.55	322.31	5.42	-49.13
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007569010	0	30	-1.0	-60.93	292.25	6.26	-54.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007569011	0	36	-1.0	-48.01	338.24	6.94	-41.07
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569012	0	31	-1.0	-51.96	284.68	4.13	-47.83
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007569013	0	36	-1.0	-42.99	338.15	6.91	-36.08
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300007569014	0	40	-1.0	-53.27	352.75	5.68	-47.59
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(=O)[O-])C(C(C)C)=C1	REAL300007569015	0	52	-1.0	-44.65	390.54	9.34	-35.31
CC(C)OC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007569016	0	41	-1.0	-55.52	336.92	6.47	-49.05
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007569017	0	28	-1.0	-39.31	286.89	5.20	-34.11
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007569018	0	35	-1.0	-55.93	297.28	4.92	-51.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007569019	0	43	-1.0	-48.45	369.85	3.55	-44.90
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007569020	0	41	-1.0	-58.55	353.54	1.26	-57.29
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569021	0	33	-1.0	-54.49	294.87	6.06	-48.43
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007569022	0	41	-1.0	-53.11	346.48	5.87	-47.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007569023	0	39	-1.0	-52.19	328.01	5.77	-46.42
CC(C)COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007569024	0	38	-1.0	-53.25	327.52	5.27	-47.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007569025	0	29	-1.0	-44.99	288.03	3.68	-41.31
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300007569026	0	38	-1.0	-44.40	322.10	5.14	-39.26
COCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007569027	0	36	-1.0	-55.95	319.54	3.04	-52.91
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569028	0	28	-1.0	-50.97	262.59	4.64	-46.33
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300007569029	0	33	-1.0	-59.60	272.77	6.03	-53.57
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569030	0	34	-1.0	-61.52	301.78	1.51	-60.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007569031	0	37	-1.0	-56.06	343.58	1.40	-54.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007569032	0	35	-1.0	-49.42	306.93	6.95	-42.47
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007569033	0	28	-1.0	-55.76	291.15	5.32	-50.44
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S2)=CS1	REAL300007569034	0	31	-1.0	-53.43	313.41	4.13	-49.30
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007569035	0	45	-1.0	-53.23	369.14	7.17	-46.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007569036	0	36	-1.0	-54.31	318.19	7.70	-46.61
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300007569037	0	42	-1.0	-48.28	379.51	5.19	-43.09
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007569038	0	32	-1.0	-45.10	303.68	4.24	-40.86
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007569039	0	39	-1.0	-45.91	344.02	6.83	-39.08
CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007569040	0	35	-1.0	-53.62	319.94	5.14	-48.48
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569041	0	47	-1.0	-53.79	371.49	6.46	-47.33
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007569042	0	33	-1.0	-58.55	308.14	0.26	-58.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007569043	0	40	-1.0	-47.75	354.67	2.69	-45.06
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007569044	0	38	-1.0	-55.51	319.13	5.84	-49.67
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007569045	0	39	-1.0	-55.99	341.39	4.01	-51.98
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007569046	0	41	-1.0	-53.17	350.41	6.13	-47.04
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007569047	0	29	-1.0	-50.56	290.95	5.01	-45.55
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300007569048	0	46	-1.0	-47.67	380.43	4.26	-43.41
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007569049	0	44	-1.0	-61.71	365.59	1.44	-60.27
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007569050	0	46	-1.0	-61.09	374.32	3.89	-57.20
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569051	0	46	-1.0	-60.66	378.41	4.03	-56.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007569052	0	43	-1.0	-47.27	369.85	3.55	-43.72
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007569053	0	31	-1.0	-41.39	294.03	5.25	-36.14
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300007569054	0	31	-1.0	-55.68	321.69	4.90	-50.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007569055	0	37	-1.0	-46.18	321.27	5.40	-40.78
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300007569056	0	31	-1.0	-40.63	287.17	5.08	-35.55
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007569057	0	31	-1.0	-56.09	306.80	4.34	-51.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300007569058	0	36	-1.0	-57.38	351.39	1.01	-56.37
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007569059	0	33	-1.0	-47.27	305.53	3.42	-43.85
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007569060	0	38	-1.0	-50.23	353.86	5.73	-44.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007569061	0	33	-1.0	-64.60	297.82	4.64	-59.96
CN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007569062	0	28	-1.0	-56.49	284.61	5.21	-51.28
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007569063	0	37	-1.0	-57.82	314.01	2.11	-55.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007569064	0	36	-1.0	-53.24	339.98	6.90	-46.34
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300007569065	0	31	-1.0	-59.23	321.69	4.89	-54.34
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007569066	0	31	-1.0	-54.13	300.40	4.27	-49.86
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007569067	0	31	-1.0	-55.79	317.12	4.79	-51.00
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=CO1	REAL300007569068	0	34	-1.0	-51.54	309.14	2.61	-48.93
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007569069	0	28	-1.0	-41.40	268.63	2.00	-39.40
CC1=CC=C(N2C=C(S(=O)(=O)N(C)CC(=O)[O-])C=N2)C=C1	REAL300007569070	0	35	-1.0	-53.64	316.54	5.35	-48.29
CC1CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(Cl)=C2O1	REAL300007569071	0	33	-1.0	-42.06	306.54	4.67	-37.39
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)CC(=O)[O-])C=N1	REAL300007569072	0	36	-1.0	-58.17	321.71	4.32	-53.85
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007569073	0	33	-1.0	-51.84	286.13	5.22	-46.62
CC1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300007569074	0	33	-1.0	-54.29	281.13	6.38	-47.91
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007569075	0	33	-1.0	-48.83	287.45	5.35	-43.48
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569076	0	33	-1.0	-40.02	282.25	5.53	-34.49
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=N1	REAL300007569077	0	34	-1.0	-44.58	318.99	5.03	-39.55
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007569078	0	32	-1.0	-60.83	299.08	1.44	-59.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007569079	0	34	-1.0	-48.87	289.10	3.93	-44.94
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007569080	0	50	-1.0	-53.17	414.90	8.48	-44.69
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569081	0	35	-1.0	-56.20	320.95	5.80	-50.40
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007569082	0	38	-1.0	-49.42	322.78	5.21	-44.21
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007569083	0	39	-1.0	-48.44	350.21	6.90	-41.54
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007569084	0	44	-1.0	-43.98	364.22	6.60	-37.38
CCC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=CN1CC1CC1	REAL300007569085	0	38	-1.0	-58.25	328.08	5.37	-52.88
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007569086	0	33	-1.0	-52.78	289.35	5.54	-47.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007569087	0	38	-1.0	-43.98	330.12	5.75	-38.23
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007569088	0	28	-1.0	-47.71	276.93	2.15	-45.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007569089	0	36	-1.0	-55.55	334.60	7.68	-47.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007569090	0	35	-1.0	-49.33	282.20	6.31	-43.02
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007569091	0	45	-1.0	-53.15	387.02	8.37	-44.78
CCC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(C)C=C1OC	REAL300007569092	0	38	-1.0	-52.83	312.12	4.77	-48.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007569093	0	31	-1.0	-50.42	305.78	5.42	-45.00
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007569094	0	41	-1.0	-44.28	342.72	5.80	-38.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007569095	0	37	-1.0	-41.48	310.99	5.81	-35.67
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007569096	0	44	-1.0	-57.23	359.55	8.12	-49.11
CN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007569097	0	28	-1.0	-46.83	261.38	2.32	-44.51
CCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007569098	0	47	-1.0	-45.36	385.71	7.39	-37.97
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)(C)C	REAL300007569099	0	47	-1.0	-44.26	376.76	7.27	-36.99
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1CC	REAL300007569100	0	41	-1.0	-45.31	347.29	6.07	-39.24
COCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007569101	0	36	-1.0	-47.77	338.13	3.71	-44.06
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300007569102	0	31	-1.0	-40.59	292.07	5.43	-35.16
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569103	0	41	-1.0	-53.42	348.11	6.36	-47.06
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300007569104	0	40	-1.0	-52.61	363.43	7.42	-45.19
CN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007569105	0	36	-1.0	-57.18	306.72	1.65	-55.53
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007569106	0	31	-1.0	-52.66	300.81	4.48	-48.18
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007569107	0	50	-1.0	-43.90	407.21	8.16	-35.74
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300007569108	0	41	-1.0	-54.87	328.61	5.18	-49.69
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569109	0	35	-1.0	-56.93	301.49	5.03	-51.90
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007569110	0	48	-1.0	-46.94	398.20	6.02	-40.92
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007569111	0	31	-1.0	-47.46	284.97	4.16	-43.30
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007569112	0	38	-1.0	-46.19	314.69	4.25	-41.94
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007569113	0	31	-1.0	-42.70	278.68	5.17	-37.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007569114	0	31	-1.0	-52.11	302.78	4.68	-47.43
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007569115	0	43	-1.0	-55.12	339.33	7.04	-48.08
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007569116	0	31	-1.0	-44.70	303.96	5.42	-39.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007569117	0	36	-1.0	-57.80	326.55	6.48	-51.32
COC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007569118	0	34	-1.0	-55.93	297.48	4.79	-51.14
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300007569119	0	30	-1.0	-48.26	284.89	3.39	-44.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007569120	0	28	-1.0	-49.05	279.71	4.62	-44.43
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007569121	0	31	-1.0	-42.85	289.76	4.44	-38.41
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007569122	0	35	-1.0	-51.67	330.77	4.32	-47.35
CN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007569123	0	25	-1.0	-57.95	257.55	3.83	-54.12
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007569124	0	39	-1.0	-53.57	326.44	2.49	-51.08
CN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007569125	0	40	-1.0	-41.89	327.71	6.18	-35.71
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NC=CC=C12	REAL300007569126	0	36	-1.0	-51.54	297.21	5.59	-45.95
CN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007569127	0	33	-1.0	-39.61	287.81	3.63	-35.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007569128	0	28	-1.0	-53.33	293.25	5.58	-47.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007569129	0	35	-1.0	-51.79	314.99	4.72	-47.07
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007569130	0	38	-1.0	-51.89	320.36	4.53	-47.36
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007569131	0	36	-1.0	-45.05	321.42	6.40	-38.65
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C)=C1Br	REAL300007569132	0	31	-1.0	-50.64	291.67	5.32	-45.32
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007569133	0	35	-1.0	-61.99	313.11	4.85	-57.14
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007569134	0	29	-1.0	-52.47	287.16	5.38	-47.09
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007569135	0	29	-1.0	-52.33	287.16	5.39	-46.94
CC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007569136	0	34	-1.0	-58.36	310.01	2.55	-55.81
CN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007569137	0	42	-1.0	-57.86	310.94	6.48	-51.38
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007569138	0	29	-1.0	-46.37	279.21	2.55	-43.82
CN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007569139	0	35	-1.0	-44.14	313.15	6.39	-37.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007569140	0	47	-1.0	-46.15	362.31	7.71	-38.44
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007569141	0	29	-1.0	-58.78	285.01	4.52	-54.26
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007569142	0	29	-1.0	-43.32	278.25	3.20	-40.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007569143	0	34	-1.0	-51.92	313.45	4.04	-47.88
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569144	0	38	-1.0	-55.02	324.26	5.85	-49.17
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007569145	0	36	-1.0	-56.14	324.39	6.49	-49.65
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007569146	0	26	-1.0	-56.28	271.54	2.53	-53.75
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NSN=C2C=C1	REAL300007569147	0	29	-1.0	-61.90	267.21	2.70	-59.20
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007569148	0	31	-1.0	-52.58	296.60	6.36	-46.22
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300007569149	0	34	-1.0	-39.78	325.21	5.94	-33.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007569150	0	35	-1.0	-52.61	325.49	7.48	-45.13
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007569151	0	24	-1.0	-51.39	261.91	1.54	-49.85
CCC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300007569152	0	31	-1.0	-41.72	291.79	5.43	-36.29
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007569153	0	38	-1.0	-44.29	313.64	4.57	-39.72
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007569154	0	39	-1.0	-58.54	333.03	3.96	-54.58
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007569155	0	31	-1.0	-54.08	286.37	6.15	-47.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007569156	0	31	-1.0	-52.64	298.80	3.40	-49.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007569157	0	40	-1.0	-53.57	336.45	3.93	-49.64
CN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007569158	0	35	-1.0	-47.92	295.69	1.39	-46.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007569159	0	30	-1.0	-54.34	290.37	5.75	-48.59
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007569160	0	39	-1.0	-52.42	342.77	7.14	-45.28
CN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007569161	0	28	-1.0	-51.30	265.37	3.29	-48.01
CN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007569162	0	33	-1.0	-44.77	290.47	-0.67	-45.44
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300007569163	0	48	-1.0	-54.46	406.05	8.76	-45.70
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(C(F)F)=C1	REAL300007569164	0	32	-1.0	-55.69	286.94	4.13	-51.56
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007569165	0	31	-1.0	-51.58	293.40	1.83	-49.75
CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007569166	0	32	-1.0	-56.75	301.55	4.36	-52.39
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007569167	0	38	-1.0	-59.37	316.52	5.63	-53.74
CCC(C)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569168	0	43	-1.0	-48.77	353.06	7.38	-41.39
COC1=CC=C(C)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569169	0	38	-1.0	-56.73	320.42	5.40	-51.33
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569170	0	34	-1.0	-54.45	304.57	5.96	-48.49
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007569171	0	35	-1.0	-55.20	315.51	5.22	-49.98
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007569172	0	37	-1.0	-60.43	337.82	2.35	-58.08
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007569173	0	35	-1.0	-51.74	322.51	4.66	-47.08
COC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1OC	REAL300007569174	0	42	-1.0	-54.89	341.90	4.49	-50.40
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569175	0	34	-1.0	-47.46	308.64	6.20	-41.26
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007569176	0	47	-1.0	-52.93	378.35	8.68	-44.25
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007569177	0	37	-1.0	-55.73	321.00	4.02	-51.71
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007569178	0	31	-1.0	-53.80	285.21	5.27	-48.53
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007569179	0	31	-1.0	-52.47	297.82	5.49	-46.98
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569180	0	36	-1.0	-69.08	301.52	6.98	-62.10
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007569181	0	37	-1.0	-49.39	336.22	6.83	-42.56
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569182	0	41	-1.0	-53.24	357.28	1.36	-51.88
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569183	0	42	-1.0	-54.51	356.82	6.63	-47.88
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007569184	0	37	-1.0	-56.13	322.85	5.34	-50.79
COCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569185	0	38	-1.0	-55.18	332.19	4.56	-50.62
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300007569186	0	37	-1.0	-52.29	325.55	2.48	-49.81
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007569187	0	40	-1.0	-67.07	362.15	3.03	-64.04
CN(CCCC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007569188	0	36	-1.0	-56.14	323.20	0.85	-55.29
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1C	REAL300007569189	0	41	-1.0	-53.76	328.77	5.22	-48.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007569190	0	36	-1.0	-55.81	330.05	5.44	-50.37
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007569191	0	34	-1.0	-56.84	321.07	6.24	-50.60
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007569192	0	36	-1.0	-55.14	315.31	5.17	-49.97
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569193	0	48	-1.0	-58.37	415.14	4.01	-54.36
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007569194	0	40	-1.0	-57.29	342.16	6.04	-51.25
CCN1N=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1C	REAL300007569195	0	40	-1.0	-54.05	335.86	4.80	-49.25
CC(C)CN1C=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569196	0	40	-1.0	-57.92	341.22	6.11	-51.81
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007569197	0	43	-1.0	-55.18	331.23	7.71	-47.47
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007569198	0	44	-1.0	-54.82	379.01	7.83	-46.99
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007569199	0	39	-1.0	-52.27	340.84	4.20	-48.07
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007569200	0	37	-1.0	-53.95	344.09	5.96	-47.99
COC1=CC(Cl)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1OC	REAL300007569201	0	39	-1.0	-53.49	341.54	4.37	-49.12
COC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(OC)C=C1Br	REAL300007569202	0	39	-1.0	-54.02	348.87	4.70	-49.32
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Br	REAL300007569203	0	34	-1.0	-53.60	316.02	6.06	-47.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007569204	0	37	-1.0	-53.24	324.43	7.23	-46.01
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007569205	0	36	-1.0	-46.48	330.69	6.85	-39.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007569206	0	35	-1.0	-53.97	322.00	4.51	-49.46
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007569207	0	38	-1.0	-55.60	335.84	6.49	-49.11
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569208	0	46	-1.0	-55.22	374.70	6.33	-48.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007569209	0	34	-1.0	-55.78	311.29	5.76	-50.02
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569210	0	42	-1.0	-57.35	354.08	4.46	-52.89
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007570001	0	38	-1.0	-46.19	327.77	6.49	-39.70
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007570002	0	38	-1.0	-48.83	346.23	5.75	-43.08
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007570003	0	41	-1.0	-53.83	338.22	6.56	-47.27
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C12	REAL300007570004	0	40	-1.0	-50.19	339.67	4.72	-45.47
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570005	0	39	-1.0	-51.86	342.06	5.58	-46.28
COCC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570006	0	39	-1.0	-49.64	328.45	4.68	-44.96
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=C2O1	REAL300007570007	0	43	-1.0	-53.51	349.97	6.23	-47.28
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007570008	0	35	-1.0	-52.83	310.65	6.15	-46.68
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300007570009	0	44	-1.0	-59.86	370.82	3.55	-56.31
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007570010	0	39	-1.0	-52.14	342.68	5.51	-46.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007570011	0	40	-1.0	-54.84	330.88	5.68	-49.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007570012	0	35	-1.0	-52.27	324.21	6.62	-45.65
CC1CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300007570013	0	40	-1.0	-50.45	330.00	5.60	-44.85
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570014	0	44	-1.0	-47.39	322.58	7.48	-39.91
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570015	0	44	-1.0	-55.84	350.02	3.33	-52.51
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300007570016	0	43	-1.0	-50.33	380.54	8.39	-41.94
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007570017	0	38	-1.0	-51.42	340.19	5.63	-45.79
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300007570018	0	38	-1.0	-48.63	356.56	6.21	-42.42
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)=CO1	REAL300007570019	0	41	-1.0	-51.48	349.80	4.03	-47.45
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007570020	0	35	-1.0	-49.82	301.29	3.39	-46.43
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007570021	0	35	-1.0	-54.64	303.13	5.36	-49.28
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007570022	0	35	-1.0	-48.12	299.44	3.60	-44.52
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300007570023	0	35	-1.0	-49.85	300.11	1.67	-48.18
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007570024	0	40	-1.0	-50.43	327.08	5.59	-44.84
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007570025	0	39	-1.0	-51.58	319.09	6.89	-44.69
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=N2)C=C1	REAL300007570026	0	42	-1.0	-53.60	355.32	6.79	-46.81
CC1CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007570027	0	40	-1.0	-51.40	347.16	6.08	-45.32
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007570028	0	37	-1.0	-47.26	317.56	6.14	-41.12
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300007570029	0	43	-1.0	-53.91	361.09	5.75	-48.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007570030	0	34	-1.0	-50.26	304.93	4.47	-45.79
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007570031	0	40	-1.0	-50.91	325.88	5.39	-45.52
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2C=C1	REAL300007570032	0	41	-1.0	-50.62	340.68	7.91	-42.71
COC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)SC=C1	REAL300007570033	0	33	-1.0	-55.22	295.57	3.34	-51.88
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570034	0	40	-1.0	-50.84	324.62	5.36	-45.48
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007570035	0	37	-1.0	-53.33	308.32	4.84	-48.49
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007570036	0	37	-1.0	-52.07	320.50	5.04	-47.03
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007570037	0	37	-1.0	-49.15	309.19	4.81	-44.34
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007570038	0	38	-1.0	-49.61	335.44	6.98	-42.63
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C21	REAL300007570039	0	44	-1.0	-52.39	347.83	5.52	-46.87
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007570040	0	34	-1.0	-49.87	308.43	4.29	-45.58
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570041	0	40	-1.0	-56.81	327.38	5.48	-51.33
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570042	0	40	-1.0	-48.14	326.09	6.63	-41.51
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007570043	0	40	-1.0	-62.76	324.12	7.77	-54.99
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007570044	0	40	-1.0	-56.54	326.26	6.62	-49.92
COC1=CC=C(CCS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007570045	0	42	-1.0	-50.83	348.21	5.76	-45.07
COC1=CN=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570046	0	35	-1.0	-49.82	297.97	2.44	-47.38
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300007570047	0	41	-1.0	-50.12	346.34	6.61	-43.51
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007570048	0	39	-1.0	-49.01	322.62	7.07	-41.94
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC(OC)=C1	REAL300007570049	0	40	-1.0	-52.67	332.38	3.60	-49.07
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007570050	0	44	-1.0	-50.44	339.45	6.69	-43.75
CC1=CC=C(CCS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007570051	0	41	-1.0	-49.94	340.11	7.14	-42.80
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)OCO2	REAL300007570052	0	38	-1.0	-52.67	305.86	4.01	-48.66
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007570053	0	35	-1.0	-53.37	301.16	5.30	-48.07
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300007570054	0	36	-1.0	-47.43	318.89	4.82	-42.61
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300007570055	0	38	-1.0	-59.74	321.65	6.33	-53.41
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007570056	0	40	-1.0	-59.23	322.50	6.52	-52.71
CC1=NC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2O1	REAL300007570057	0	37	-1.0	-52.92	317.05	2.66	-50.26
CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1CC	REAL300007570058	0	44	-1.0	-49.84	350.43	7.54	-42.30
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570059	0	40	-1.0	-45.99	322.83	6.90	-39.09
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570060	0	42	-1.0	-51.96	331.34	6.47	-45.49
CC1=C(C)SC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570061	0	35	-1.0	-49.54	305.62	5.36	-44.18
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570062	0	33	-1.0	-47.40	289.41	2.89	-44.51
CCC1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300007570063	0	34	-1.0	-47.69	303.39	3.55	-44.14
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300007570064	0	39	-1.0	-52.66	321.71	4.80	-47.86
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300007570065	0	35	-1.0	-49.56	302.16	5.34	-44.22
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007570066	0	38	-1.0	-55.38	318.43	6.29	-49.09
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007570067	0	35	-1.0	-52.46	297.24	3.61	-48.85
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC(C)=C1F	REAL300007570068	0	38	-1.0	-48.27	320.43	6.34	-41.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007570069	0	39	-1.0	-58.06	329.38	4.73	-53.33
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007570070	0	45	-1.0	-51.97	374.23	6.52	-45.45
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300007570071	0	36	-1.0	-52.23	303.22	4.77	-47.46
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007570072	0	34	-1.0	-54.12	302.88	4.52	-49.60
CC1=NC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CS1	REAL300007570073	0	34	-1.0	-54.73	303.76	3.38	-51.35
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007570074	0	35	-1.0	-51.32	313.41	6.23	-45.09
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300007570075	0	35	-1.0	-47.22	308.81	6.06	-41.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007570076	0	38	-1.0	-51.68	321.48	5.96	-45.72
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)=N1	REAL300007570077	0	41	-1.0	-51.65	359.64	6.44	-45.21
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007570078	0	40	-1.0	-51.31	316.64	6.14	-45.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007570079	0	39	-1.0	-57.02	338.45	2.87	-54.15
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007570080	0	41	-1.0	-50.51	330.67	5.32	-45.19
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007570081	0	35	-1.0	-49.38	316.99	6.21	-43.17
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007570082	0	57	-1.0	-48.12	453.74	9.89	-38.23
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570083	0	45	-1.0	-48.22	363.42	6.63	-41.59
COC(CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)C1CCCC1	REAL300007570084	0	45	-1.0	-48.29	348.54	5.59	-42.70
COC(CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300007570085	0	48	-1.0	-51.09	365.11	6.00	-45.09
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300007570086	0	46	-1.0	-54.03	390.82	8.32	-45.71
CCOC(CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)C1CC1	REAL300007570087	0	42	-1.0	-51.31	337.50	5.28	-46.03
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007570088	0	51	-1.0	-49.62	404.80	8.01	-41.61
CCC1=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300007570089	0	45	-1.0	-53.25	372.11	6.96	-46.29
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007570090	0	35	-1.0	-49.56	312.67	4.48	-45.08
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007570091	0	40	-1.0	-53.92	325.87	6.81	-47.11
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570092	0	39	-1.0	-47.76	318.91	4.91	-42.85
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007570093	0	45	-1.0	-51.29	376.76	7.29	-44.00
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570094	0	35	-1.0	-46.51	310.58	3.46	-43.05
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300007570095	0	43	-1.0	-48.36	373.97	9.07	-39.29
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007570096	0	42	-1.0	-52.74	331.43	8.02	-44.72
CCC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(C)C=C1OC	REAL300007570097	0	45	-1.0	-47.03	348.13	6.05	-40.98
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300007570098	0	38	-1.0	-46.85	344.61	6.82	-40.03
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300007570099	0	34	-1.0	-57.01	301.73	3.86	-53.15
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007570100	0	41	-1.0	-53.89	321.53	7.94	-45.95
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300007570101	0	41	-1.0	-49.66	342.10	3.53	-46.13
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570102	0	36	-1.0	-52.58	299.36	5.07	-47.51
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007570103	0	48	-1.0	-50.09	383.31	7.21	-42.88
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300007570104	0	44	-1.0	-46.15	351.57	7.22	-38.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007570105	0	51	-1.0	-52.03	398.96	9.52	-42.51
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570106	0	42	-1.0	-49.25	331.14	5.01	-44.24
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007570107	0	44	-1.0	-52.06	345.81	5.39	-46.67
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007570108	0	42	-1.0	-52.03	340.43	5.33	-46.70
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570109	0	35	-1.0	-44.60	300.00	3.63	-40.97
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570110	0	39	-1.0	-52.47	331.74	5.12	-47.35
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007570111	0	42	-1.0	-48.74	350.58	7.74	-41.00
CCC1=NN(C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570112	0	38	-1.0	-52.28	312.88	3.76	-48.52
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007570113	0	54	-1.0	-49.70	426.30	8.80	-40.90
O=C([O-])[C@H]1CCCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007570114	0	36	-1.0	-51.60	321.99	6.67	-44.93
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007570115	0	54	-1.0	-49.96	417.36	8.68	-41.28
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1CC	REAL300007570116	0	48	-1.0	-49.48	387.92	7.47	-42.01
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570117	0	38	-1.0	-45.73	310.10	6.78	-38.95
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570118	0	38	-1.0	-48.79	332.81	6.98	-41.81
O=C([O-])[C@H]1CCCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007570119	0	36	-1.0	-52.15	319.50	6.61	-45.54
CCCC1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570120	0	41	-1.0	-51.30	328.32	7.64	-43.66
COC1=NC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570121	0	35	-1.0	-51.87	293.86	2.23	-49.64
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570122	0	48	-1.0	-49.79	386.09	7.72	-42.07
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007570123	0	37	-1.0	-53.85	303.24	5.49	-48.36
CC1=CSC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570124	0	35	-1.0	-48.99	294.21	5.62	-43.37
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007570125	0	39	-1.0	-52.88	323.25	4.68	-48.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007570126	0	39	-1.0	-47.26	318.17	4.65	-42.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007570127	0	42	-1.0	-50.23	342.76	5.54	-44.69
CC1(C)COC2=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=NN2C1	REAL300007570128	0	43	-1.0	-53.96	348.38	3.01	-50.95
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007570129	0	38	-1.0	-50.05	340.22	5.88	-44.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007570130	0	39	-1.0	-49.43	314.87	5.12	-44.31
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007570131	0	57	-1.0	-49.63	447.80	9.58	-40.05
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300007570132	0	48	-1.0	-50.75	370.85	6.97	-43.78
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570133	0	42	-1.0	-48.21	334.72	6.21	-42.00
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007570134	0	55	-1.0	-52.64	438.78	7.43	-45.21
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=C2O1	REAL300007570135	0	40	-1.0	-53.59	329.33	5.59	-48.00
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300007570136	0	40	-1.0	-47.94	342.08	4.63	-43.31
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007570137	0	38	-1.0	-52.28	324.56	5.50	-46.78
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570138	0	37	-1.0	-59.31	314.06	4.58	-54.73
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007570139	0	41	-1.0	-49.14	318.62	4.98	-44.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300007570140	0	36	-1.0	-54.74	323.78	5.37	-49.37
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007570141	0	33	-1.0	-45.20	288.26	3.76	-41.44
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007570142	0	35	-1.0	-50.03	312.26	6.44	-43.59
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570143	0	39	-1.0	-47.94	322.83	4.65	-43.29
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1F	REAL300007570144	0	41	-1.0	-49.72	320.03	6.90	-42.82
COC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1OC	REAL300007570145	0	40	-1.0	-50.01	325.86	4.82	-45.19
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300007570146	0	35	-1.0	-52.08	298.90	5.10	-46.98
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007570147	0	45	-1.0	-51.38	354.47	5.59	-45.79
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570148	0	44	-1.0	-49.34	350.63	5.57	-43.77
CCCCN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=N1	REAL300007570149	0	44	-1.0	-51.07	357.04	5.61	-45.46
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300007570150	0	39	-1.0	-51.67	312.25	4.27	-47.40
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007570151	0	36	-1.0	-52.24	312.65	4.53	-47.71
CN1N=NC2=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=CC=C21	REAL300007570152	0	37	-1.0	-57.06	317.45	3.40	-53.66
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300007570153	0	38	-1.0	-45.19	316.66	6.45	-38.74
CC1(C)CCCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300007570154	0	43	-1.0	-49.10	327.85	5.38	-43.72
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007570155	0	38	-1.0	-46.69	341.59	6.11	-40.58
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C2CCC2)=N1	REAL300007570156	0	42	-1.0	-51.50	337.53	5.10	-46.40
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570157	0	50	-1.0	-50.48	381.78	8.85	-41.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300007570158	0	38	-1.0	-45.85	344.57	6.84	-39.01
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007570159	0	42	-1.0	-49.73	347.42	5.64	-44.09
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007570160	0	36	-1.0	-50.50	309.25	5.93	-44.57
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007570161	0	43	-1.0	-47.00	358.69	7.63	-39.37
COC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007570162	0	41	-1.0	-58.82	338.81	6.16	-52.66
CCCC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570163	0	41	-1.0	-48.67	337.74	7.17	-41.50
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570164	0	39	-1.0	-50.33	317.08	4.47	-45.86
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570165	0	41	-1.0	-48.58	316.62	4.59	-43.99
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300007570166	0	41	-1.0	-53.06	337.44	4.69	-48.37
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007570167	0	39	-1.0	-48.88	312.12	3.62	-45.26
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007570168	0	37	-1.0	-49.72	324.37	4.79	-44.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007570169	0	35	-1.0	-47.31	318.08	6.05	-41.26
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570170	0	43	-1.0	-61.46	357.93	6.99	-54.47
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007570171	0	43	-1.0	-50.72	342.06	8.06	-42.66
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007570172	0	38	-1.0	-48.26	335.76	6.01	-42.25
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007570173	0	38	-1.0	-49.74	315.76	5.44	-44.30
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007570174	0	39	-1.0	-51.44	326.48	3.34	-48.10
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007570175	0	42	-1.0	-48.54	369.59	5.72	-42.82
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007570176	0	32	-1.0	-51.71	296.34	5.25	-46.46
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007570177	0	39	-1.0	-48.66	322.60	7.07	-41.59
COC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=CS1	REAL300007570178	0	33	-1.0	-51.74	294.12	3.48	-48.26
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007570179	0	42	-1.0	-50.43	339.31	5.56	-44.87
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570180	0	41	-1.0	-47.07	330.35	4.67	-42.40
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570181	0	46	-1.0	-46.95	339.00	5.80	-41.15
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007570182	0	46	-1.0	-51.58	364.54	3.84	-47.74
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570183	0	38	-1.0	-47.86	326.58	6.49	-41.37
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007570184	0	36	-1.0	-51.85	312.65	4.55	-47.30
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007570185	0	47	-1.0	-49.63	364.57	7.45	-42.18
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300007570186	0	33	-1.0	-48.80	296.71	3.43	-45.37
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300007570187	0	43	-1.0	-59.25	340.29	7.06	-52.19
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007570188	0	40	-1.0	-48.01	328.92	5.06	-42.95
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007570189	0	35	-1.0	-52.92	306.03	3.70	-49.22
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570190	0	42	-1.0	-49.61	350.30	5.65	-43.96
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570191	0	42	-1.0	-48.92	348.88	6.05	-42.87
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007570192	0	45	-1.0	-51.94	359.33	5.93	-46.01
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007570193	0	43	-1.0	-49.78	362.05	7.80	-41.98
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300007570194	0	35	-1.0	-51.96	288.62	5.83	-46.13
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC(C)=C1Br	REAL300007570195	0	38	-1.0	-48.40	331.10	6.74	-41.66
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007570196	0	41	-1.0	-53.60	325.82	7.81	-45.79
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300007570197	0	42	-1.0	-52.07	345.73	6.14	-45.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007570198	0	36	-1.0	-49.11	311.67	6.24	-42.87
O=C([O-])[C@H]1CCCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300007570199	0	36	-1.0	-51.57	326.55	6.78	-44.79
O=C([O-])[C@H]1CCCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300007570200	0	36	-1.0	-48.71	326.55	6.80	-41.91
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007570201	0	37	-1.0	-57.95	316.76	-1.11	-59.06
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007570202	0	35	-1.0	-50.34	298.85	5.36	-44.98
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007570203	0	38	-1.0	-50.51	308.05	5.50	-45.01
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007570204	0	34	-1.0	-54.31	304.31	4.36	-49.95
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300007570205	0	40	-1.0	-51.34	328.23	2.23	-49.11
CC1=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007570206	0	41	-1.0	-55.19	349.42	3.95	-51.24
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007570207	0	49	-1.0	-49.54	350.41	7.85	-41.69
CC1(C)COC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300007570208	0	42	-1.0	-53.19	334.10	4.27	-48.92
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007570209	0	35	-1.0	-58.44	303.92	0.68	-57.76
CC(C)(CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)C(C)(F)F	REAL300007570210	0	40	-1.0	-50.51	312.40	5.49	-45.02
CS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570211	0	40	-1.0	-60.43	343.93	1.78	-58.65
CC1(C)CCC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)OC1	REAL300007570212	0	45	-1.0	-51.78	348.13	5.15	-46.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300007570213	0	42	-1.0	-50.67	343.88	7.30	-43.37
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007570214	0	36	-1.0	-58.34	321.39	4.03	-54.31
O=C([O-])[C@H]1CCCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007570215	0	42	-1.0	-55.01	355.30	7.86	-47.15
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007570216	0	41	-1.0	-54.50	327.44	2.42	-52.08
O=C([O-])[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007570217	0	45	-1.0	-50.90	341.08	7.01	-43.89
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007570218	0	36	-1.0	-50.34	317.19	6.30	-44.04
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300007570219	0	54	-1.0	-50.35	403.01	9.14	-41.21
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007570220	0	43	-1.0	-50.49	351.05	6.11	-44.38
COC1=CSC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1OC	REAL300007570221	0	37	-1.0	-48.09	323.19	3.70	-44.39
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007570222	0	44	-1.0	-49.14	333.26	5.46	-43.68
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570223	0	43	-1.0	-48.16	354.12	6.81	-41.35
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007570224	0	36	-1.0	-49.95	316.62	5.84	-44.11
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300007570225	0	36	-1.0	-52.23	310.92	4.56	-47.67
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007570226	0	36	-1.0	-48.27	318.84	4.60	-43.67
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570227	0	38	-1.0	-51.02	314.61	4.80	-46.22
CN1C=CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300007570228	0	39	-1.0	-54.40	327.08	6.74	-47.66
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300007570229	0	41	-1.0	-50.16	352.27	5.45	-44.71
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570230	0	45	-1.0	-53.76	363.40	7.34	-46.42
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007570231	0	43	-1.0	-47.94	362.06	7.81	-40.13
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570232	0	38	-1.0	-58.74	313.82	6.91	-51.83
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007570233	0	33	-1.0	-49.80	313.87	3.82	-45.98
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570234	0	43	-1.0	-54.15	357.04	6.58	-47.57
CCN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300007570235	0	42	-1.0	-51.56	345.34	5.58	-45.98
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300007570236	0	36	-1.0	-59.90	303.08	3.99	-55.91
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007570237	0	38	-1.0	-48.32	336.02	7.76	-40.56
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300007570238	0	42	-1.0	-49.20	364.30	8.89	-40.31
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007570239	0	31	-1.0	-46.92	300.74	2.99	-43.93
CCC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300007570240	0	38	-1.0	-47.32	332.40	6.83	-40.49
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570241	0	45	-1.0	-47.39	357.14	5.99	-41.40
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007570242	0	29	-1.0	-46.04	282.19	4.49	-41.55
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570243	0	46	-1.0	-50.17	372.52	5.33	-44.84
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007570244	0	38	-1.0	-48.93	322.66	7.39	-41.54
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570245	0	40	-1.0	-50.32	320.49	2.55	-47.77
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007570246	0	39	-1.0	-51.34	307.37	6.63	-44.71
CC1(C)CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300007570247	0	43	-1.0	-48.80	325.80	5.08	-43.72
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007570248	0	47	-1.0	-48.70	375.29	5.34	-43.36
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570249	0	35	-1.0	-47.20	310.40	2.72	-44.48
COC1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300007570250	0	38	-1.0	-49.59	320.67	2.37	-47.22
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300007570251	0	41	-1.0	-53.14	335.88	5.13	-48.01
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570252	0	41	-1.0	-51.18	332.62	4.57	-46.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007570253	0	42	-1.0	-51.87	336.94	2.83	-49.04
COCC1=CC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=NO1	REAL300007570254	0	38	-1.0	-56.92	327.74	2.87	-54.05
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007570255	0	37	-1.0	-50.49	322.78	6.86	-43.63
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)N=C1	REAL300007570256	0	43	-1.0	-52.17	346.47	5.33	-46.84
CC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570257	0	38	-1.0	-47.19	312.17	4.04	-43.15
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300007570258	0	39	-1.0	-47.74	321.41	5.18	-42.56
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007570259	0	39	-1.0	-54.80	329.59	6.04	-48.76
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300007570260	0	34	-1.0	-52.07	302.26	3.87	-48.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300007570261	0	37	-1.0	-53.04	308.47	5.36	-47.68
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=NN1C(C)C	REAL300007570262	0	41	-1.0	-54.93	331.59	4.62	-50.31
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007570263	0	46	-1.0	-49.72	382.12	8.49	-41.23
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300007570264	0	37	-1.0	-55.69	310.67	5.38	-50.31
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300007570265	0	35	-1.0	-46.63	304.75	4.68	-41.95
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570266	0	40	-1.0	-55.15	328.16	0.72	-54.43
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300007570267	0	39	-1.0	-48.79	296.90	2.71	-46.08
N#CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300007570268	0	38	-1.0	-53.14	311.66	4.47	-48.67
COC1=CC=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570269	0	35	-1.0	-54.50	298.98	2.41	-52.09
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C(F)F)=C1	REAL300007570270	0	39	-1.0	-55.68	326.38	5.70	-49.98
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)N=C1	REAL300007570271	0	35	-1.0	-51.56	299.49	2.29	-49.27
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570272	0	38	-1.0	-46.33	332.57	3.16	-43.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300007570273	0	37	-1.0	-50.82	303.92	5.37	-45.45
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007570274	0	38	-1.0	-56.88	319.17	4.09	-52.79
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300007570275	0	40	-1.0	-56.89	325.15	6.58	-50.31
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CNC3=CC=CC=C32)C1	REAL300007570276	0	36	-1.0	-56.37	302.53	4.76	-51.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300007570277	0	34	-1.0	-52.98	302.46	3.93	-49.05
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300007570278	0	39	-1.0	-55.14	341.12	5.76	-49.38
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007570279	0	45	-1.0	-49.57	348.63	6.81	-42.76
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1	REAL300007570280	0	35	-1.0	-55.63	315.08	6.00	-49.63
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300007570281	0	35	-1.0	-51.16	321.31	6.08	-45.08
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570282	0	40	-1.0	-59.67	357.67	6.49	-53.18
CCCCN(C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570283	0	42	-1.0	-42.29	357.46	5.74	-36.55
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CS1	REAL300007570284	0	32	-1.0	-55.21	307.84	5.02	-50.19
CCC(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570285	0	47	-1.0	-44.83	392.27	8.63	-36.20
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007570286	0	35	-1.0	-45.36	329.67	5.87	-39.49
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007570287	0	32	-1.0	-51.83	324.80	5.65	-46.18
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570288	0	42	-1.0	-60.26	357.69	6.60	-53.66
CC1=CC=C(Br)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570289	0	38	-1.0	-56.16	344.52	7.23	-48.93
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007570290	0	39	-1.0	-44.54	358.79	6.37	-38.17
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CCOCC1	REAL300007570291	0	38	-1.0	-40.05	314.11	2.51	-37.54
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570292	0	41	-1.0	-54.02	374.27	3.56	-50.46
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007570293	0	39	-1.0	-49.58	361.12	5.79	-43.79
COC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300007570294	0	46	-1.0	-57.96	381.98	5.79	-52.17
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570295	0	38	-1.0	-41.05	343.93	7.40	-33.65
CN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570296	0	35	-1.0	-45.59	320.04	3.81	-41.78
CCN(CC)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570297	0	39	-1.0	-42.71	327.15	4.80	-37.91
CN(C1CCCCC1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570298	0	46	-1.0	-53.59	358.29	6.00	-47.59
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570299	0	41	-1.0	-56.62	349.56	4.96	-51.66
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007570300	0	51	-1.0	-44.63	415.45	9.85	-34.78
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007570301	0	41	-1.0	-54.19	359.58	5.14	-49.05
CCC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570302	0	41	-1.0	-45.55	358.74	7.51	-38.04
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300007570303	0	35	-1.0	-55.14	324.55	6.49	-48.65
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007570304	0	35	-1.0	-51.42	336.44	6.62	-44.80
CC1=NNC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570305	0	35	-1.0	-51.92	309.81	2.67	-49.25
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570306	0	40	-1.0	-48.31	345.51	8.32	-39.99
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007570307	0	41	-1.0	-53.24	376.74	8.02	-45.22
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570308	0	45	-1.0	-46.43	396.55	2.60	-43.83
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570309	0	46	-1.0	-44.11	396.20	7.88	-36.23
CC1=CC(F)=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570310	0	38	-1.0	-55.09	342.70	6.75	-48.34
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007570311	0	41	-1.0	-47.30	361.26	6.59	-40.71
COCC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570312	0	42	-1.0	-45.73	370.92	5.81	-39.92
CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570313	0	41	-1.0	-49.84	363.96	3.63	-46.21
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570314	0	44	-1.0	-68.40	400.11	4.20	-64.20
CS(=O)(=O)CCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570315	0	40	-1.0	-50.29	363.39	2.07	-48.22
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1C	REAL300007570316	0	45	-1.0	-55.70	366.02	6.41	-49.29
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007570317	0	38	-1.0	-54.03	359.80	7.35	-46.68
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007570318	0	40	-1.0	-53.55	355.78	6.39	-47.16
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=NOC=C1	REAL300007570319	0	34	-1.0	-60.37	313.42	4.01	-56.36
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=NN1C	REAL300007570320	0	38	-1.0	-51.81	330.02	4.07	-47.74
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300007570321	0	45	-1.0	-50.40	373.82	1.34	-49.06
CN(C1CCOCC1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570322	0	44	-1.0	-42.12	360.03	3.95	-38.17
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CC2CCC1C2	REAL300007570323	0	41	-1.0	-44.65	341.60	5.57	-39.08
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007570324	0	44	-1.0	-55.28	381.56	7.06	-48.22
CCN1N=C(C)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007570325	0	44	-1.0	-46.46	372.60	5.97	-40.49
CC(C)N1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570326	0	41	-1.0	-51.51	360.38	5.11	-46.40
CC(C)CN1C=NC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570327	0	44	-1.0	-53.30	371.47	7.82	-45.48
CC(C)N1C=NC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570328	0	41	-1.0	-53.63	352.33	7.23	-46.40
CC(C)C1=NC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CN1	REAL300007570329	0	41	-1.0	-63.60	359.91	4.49	-59.11
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570330	0	47	-1.0	-57.09	353.28	8.01	-49.08
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570331	0	43	-1.0	-70.39	381.55	5.39	-65.00
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CCCOC1	REAL300007570332	0	42	-1.0	-42.33	348.20	4.77	-37.56
COC1=CC(Cl)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300007570333	0	43	-1.0	-44.88	384.67	5.77	-39.11
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1Br	REAL300007570334	0	38	-1.0	-55.43	354.64	7.17	-48.26
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570335	0	38	-1.0	-51.96	328.65	6.61	-45.35
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007570336	0	41	-1.0	-46.34	371.74	8.84	-37.50
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007570337	0	39	-1.0	-51.67	360.37	5.66	-46.01
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570338	0	50	-1.0	-47.91	403.99	7.04	-40.87
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007570339	0	38	-1.0	-44.89	345.76	6.91	-37.98
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570340	0	46	-1.0	-61.99	391.12	5.69	-56.30
COCCC(C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570341	0	41	-1.0	-41.22	346.62	4.39	-36.83
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570342	0	39	-1.0	-59.34	342.14	6.01	-53.33
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570343	0	46	-1.0	-62.81	394.34	6.06	-56.75
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007570344	0	53	-1.0	-53.23	402.14	7.64	-45.59
CC1=NC2=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=CC=C2C=C1	REAL300007570345	0	43	-1.0	-54.90	377.56	7.32	-47.58
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007570346	0	43	-1.0	-67.43	379.91	7.89	-59.54
CCN(CC1CC1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570347	0	43	-1.0	-42.71	364.26	6.42	-36.29
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007570348	0	46	-1.0	-55.82	387.97	4.34	-51.48
CCCN1C=NC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570349	0	41	-1.0	-53.09	354.21	7.60	-45.49
COCCOCCOCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570350	0	49	-1.0	-49.07	422.89	3.35	-45.72
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCOCC1CC1	REAL300007570351	0	42	-1.0	-52.70	366.04	5.30	-47.40
CC(COC1CCCC1)CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570352	0	51	-1.0	-55.00	415.81	7.35	-47.65
COCC(C)CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570353	0	41	-1.0	-41.15	347.29	4.37	-36.78
CCOCC(C)CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570354	0	44	-1.0	-41.23	369.14	5.34	-35.89
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007570355	0	43	-1.0	-51.38	373.64	3.77	-47.61
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007570356	0	39	-1.0	-50.88	356.18	6.61	-44.27
COC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007570357	0	41	-1.0	-49.66	370.66	6.73	-42.93
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570358	0	41	-1.0	-48.98	363.01	7.62	-41.36
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570359	0	41	-1.0	-56.99	362.31	7.59	-49.40
CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007570360	0	41	-1.0	-50.04	369.33	7.53	-42.51
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570361	0	44	-1.0	-59.18	356.16	7.46	-51.72
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCCN1CCOCC1	REAL300007570362	0	47	-1.0	-55.52	388.43	2.98	-52.54
CCOC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570363	0	42	-1.0	-54.58	366.46	6.22	-48.36
COCCN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570364	0	42	-1.0	-51.44	375.61	3.61	-47.83
CC(C)(C)CCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570365	0	43	-1.0	-43.05	354.99	6.22	-36.83
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007570366	0	42	-1.0	-47.32	377.94	6.58	-40.74
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007570367	0	43	-1.0	-55.96	388.22	8.18	-47.78
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007570368	0	40	-1.0	-56.76	356.30	6.33	-50.43
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007570369	0	38	-1.0	-42.94	355.97	7.33	-35.61
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007570370	0	38	-1.0	-45.38	351.63	7.28	-38.10
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007570371	0	42	-1.0	-65.44	379.77	3.86	-61.58
CC1CCN(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300007570372	0	40	-1.0	-54.24	336.49	4.88	-49.36
CC1=CC(Br)=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570373	0	38	-1.0	-54.62	357.83	7.26	-47.36
CC1=C(Br)C=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570374	0	38	-1.0	-52.32	340.63	7.07	-45.25
COCC1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570375	0	42	-1.0	-53.12	348.18	5.82	-47.30
COC1=CC(OC)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300007570376	0	43	-1.0	-46.21	387.12	5.76	-40.45
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007570377	0	38	-1.0	-51.93	355.30	4.90	-47.03
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007570378	0	38	-1.0	-56.21	355.03	4.85	-51.36
CC1(C)CC2=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC=C2O1	REAL300007570379	0	46	-1.0	-53.47	391.37	7.24	-46.23
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007570380	0	38	-1.0	-48.00	356.19	5.17	-42.83
CSC1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570381	0	39	-1.0	-47.44	351.95	7.16	-40.28
CCC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570382	0	41	-1.0	-55.23	357.77	7.44	-47.79
CCC1=CC=C(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570383	0	44	-1.0	-56.21	381.63	8.14	-48.07
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1=CC=CS1	REAL300007570384	0	38	-1.0	-54.41	350.23	6.60	-47.81
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570385	0	44	-1.0	-56.46	397.07	4.43	-52.03
CC1=CC=C(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007570386	0	44	-1.0	-46.24	376.59	7.97	-38.27
CC(C)CN(C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570387	0	42	-1.0	-42.54	350.55	5.71	-36.83
CN(C1CCCC1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570388	0	43	-1.0	-53.21	342.27	5.36	-47.85
CCCN(C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570389	0	39	-1.0	-42.28	335.96	4.96	-37.32
CC1(C)CN(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CCO1	REAL300007570390	0	44	-1.0	-51.88	360.96	4.20	-47.68
CC1=NOC(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570391	0	37	-1.0	-41.91	331.78	4.87	-37.04
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300007570392	0	47	-1.0	-54.07	405.80	7.51	-46.56
CCS(=O)(=O)NCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570393	0	42	-1.0	-48.40	378.27	0.78	-47.62
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007570394	0	41	-1.0	-47.42	367.19	7.34	-40.08
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007570395	0	38	-1.0	-43.88	369.19	8.01	-35.87
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007570396	0	38	-1.0	-52.85	356.50	7.45	-45.40
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007570397	0	41	-1.0	-48.65	373.32	8.94	-39.71
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O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007570399	0	41	-1.0	-43.42	374.61	7.83	-35.59
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007570400	0	46	-1.0	-55.51	395.89	7.34	-48.17
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007570401	0	44	-1.0	-48.71	386.92	9.08	-39.63
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1N(C)C	REAL300007570402	0	46	-1.0	-54.25	381.08	6.30	-47.95
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007570403	0	40	-1.0	-47.09	338.25	2.86	-44.23
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCOCC1CCCC1	REAL300007570404	0	48	-1.0	-52.61	399.73	6.46	-46.15
COC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300007570405	0	42	-1.0	-49.99	369.48	6.47	-43.52
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570406	0	44	-1.0	-53.27	398.78	4.26	-49.01
CSC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300007570407	0	39	-1.0	-50.74	370.34	7.46	-43.28
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570408	0	47	-1.0	-47.43	388.10	6.52	-40.91
COC(C)CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570409	0	38	-1.0	-43.76	330.59	3.97	-39.79
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007570410	0	43	-1.0	-52.51	386.30	4.53	-47.98
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=C12	REAL300007570411	0	42	-1.0	-52.86	376.37	3.68	-49.18
CN1N=CC2=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CN=C21	REAL300007570412	0	40	-1.0	-46.14	359.85	5.24	-40.90
CCC1=CC(CC)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(CC)=C1	REAL300007570413	0	53	-1.0	-43.65	409.07	10.47	-33.18
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007570414	0	42	-1.0	-56.52	361.63	6.11	-50.41
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007570415	0	44	-1.0	-67.52	368.89	9.54	-57.98
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1F	REAL300007570416	0	42	-1.0	-52.00	358.05	5.92	-46.08
CC1(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300007570417	0	47	-1.0	-43.25	364.23	7.54	-35.71
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007570418	0	44	-1.0	-55.35	363.22	6.92	-48.43
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570419	0	53	0.0	-66.25	430.00	7.24	-59.01
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007570420	0	43	-1.0	-50.89	384.42	7.27	-43.62
CN1N=NC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570421	0	34	-1.0	-45.87	310.28	2.50	-43.37
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570422	0	42	-1.0	-54.85	386.95	6.22	-48.63
CC1=CC=C(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300007570423	0	41	-1.0	-47.55	364.90	7.45	-40.10
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570424	0	47	0.0	-61.97	394.22	7.99	-53.98
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007570425	0	35	-1.0	-40.39	346.15	6.25	-34.14
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007570426	0	48	-1.0	-55.80	403.74	9.28	-46.52
CC(C)(C)C1=CC(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=NO1	REAL300007570427	0	46	-1.0	-46.33	392.97	6.73	-39.60
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1CCC1	REAL300007570428	0	41	-1.0	-54.59	348.57	6.54	-48.05
CC(C)(C)CCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570429	0	46	-1.0	-41.69	375.35	6.99	-34.70
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007570430	0	44	-1.0	-48.82	372.21	3.17	-45.65
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007570431	0	38	-1.0	-53.71	352.53	6.50	-47.21
O=C([O-])C(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007570431	1	37	-2.0	-131.41	344.74	6.82	-124.59
CC1=C(CCS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])SC=N1	REAL300007570432	0	40	-1.0	-54.40	363.77	5.22	-49.18
COCC1(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300007570433	0	39	-1.0	-45.10	339.58	4.98	-40.12
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC12CCC(CC1)C2	REAL300007570434	0	45	-1.0	-55.80	359.42	7.46	-48.34
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CC(F)(F)C1	REAL300007570435	0	38	-1.0	-55.35	340.28	5.95	-49.40
COC1=CC=C2C=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])CCC2=C1	REAL300007570436	0	47	-1.0	-54.48	395.67	7.56	-46.92
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007570437	0	48	-1.0	-56.07	372.16	8.03	-48.04
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1CCOC1	REAL300007570438	0	42	-1.0	-55.19	354.05	4.51	-50.68
CC(C)(CCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-])S(C)(=O)=O	REAL300007570439	0	46	-1.0	-57.10	387.66	3.15	-53.95
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CCCCC1(F)F	REAL300007570440	0	44	-1.0	-46.80	366.26	7.19	-39.61
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007570441	0	42	-1.0	-44.18	361.24	8.07	-36.11
CN1C=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007570442	0	35	-1.0	-57.39	320.77	3.55	-53.84
CCC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007570443	0	43	-1.0	-61.19	377.56	7.81	-53.38
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007570444	0	35	-1.0	-41.02	330.30	6.56	-34.46
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007570445	0	35	-1.0	-41.06	334.86	6.66	-34.40
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007570446	0	37	-1.0	-40.06	341.82	6.71	-33.35
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007570447	0	41	-1.0	-55.78	360.76	8.28	-47.50
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007570448	0	37	-1.0	-50.19	343.11	6.68	-43.51
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570449	0	40	-1.0	-60.82	351.47	7.27	-53.55
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570450	0	39	-1.0	-44.80	343.08	5.34	-39.46
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007570451	0	37	-1.0	-60.70	322.05	7.30	-53.40
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570452	0	38	-1.0	-45.93	337.27	6.75	-39.18
CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570453	0	42	-1.0	-45.38	367.20	6.29	-39.09
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007570454	0	47	-1.0	-54.92	371.43	8.44	-46.48
CC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007570455	0	44	-1.0	-44.18	361.56	8.28	-35.90
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570456	0	50	-1.0	-58.70	399.68	8.88	-49.82
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007570457	0	38	-1.0	-50.80	354.17	7.02	-43.78
CC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570458	0	38	-1.0	-55.40	336.27	6.68	-48.72
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C=CC1=CC=CC=C1	REAL300007570459	0	39	-1.0	-54.52	348.25	7.21	-47.31
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007570460	0	38	-1.0	-59.41	329.68	6.61	-52.80
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007570461	0	35	-1.0	-51.53	331.88	6.52	-45.01
CC(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570462	0	40	-1.0	-47.20	356.35	6.53	-40.67
CC1=CC=C(C)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570463	0	41	-1.0	-57.77	344.89	7.23	-50.54
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007570464	0	41	-1.0	-56.03	353.33	7.22	-48.81
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007570465	0	41	-1.0	-54.26	345.63	7.26	-47.00
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007570466	0	41	-1.0	-62.17	370.65	6.73	-55.44
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570467	0	47	-1.0	-44.96	389.79	8.36	-36.60
CC(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570468	0	44	-1.0	-44.66	373.82	7.97	-36.69
CCCC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570469	0	44	-1.0	-44.15	377.99	8.26	-35.89
COC1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570470	0	39	-1.0	-47.25	342.22	5.88	-41.37
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC=C1	REAL300007570471	0	38	-1.0	-44.80	337.03	6.77	-38.03
CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=C1Br	REAL300007570472	0	38	-1.0	-51.51	354.62	7.18	-44.33
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007570473	0	39	-1.0	-40.54	359.58	5.83	-34.71
CC1=C(C)C(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1C	REAL300007570474	0	50	-1.0	-46.81	386.96	9.12	-37.69
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007570475	0	44	-1.0	-54.05	370.58	5.68	-48.37
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570476	0	51	-1.0	-48.15	418.31	8.18	-39.97
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007570477	0	40	-1.0	-60.75	359.11	7.21	-53.54
CC1=NNC(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570478	0	38	-1.0	-46.70	328.22	3.80	-42.90
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570479	0	53	-1.0	-44.79	415.34	9.83	-34.96
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007570480	0	38	-1.0	-40.46	352.34	7.04	-33.42
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007570481	0	45	-1.0	-55.52	377.87	8.49	-47.03
COC1=CC=C(OC)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570482	0	43	-1.0	-62.58	365.21	5.23	-57.35
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300007570483	0	43	-1.0	-53.45	373.86	5.19	-48.26
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CC1=NOC(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570485	0	37	-1.0	-43.36	329.03	5.03	-38.33
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007570486	0	43	-1.0	-54.76	366.05	8.29	-46.47
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007570487	0	40	-1.0	-53.93	351.05	5.84	-48.09
CC(C)CCC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570488	0	50	-1.0	-45.23	419.31	9.58	-35.65
CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1OCC	REAL300007570489	0	49	-1.0	-55.69	417.56	7.03	-48.66
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570490	0	40	-1.0	-49.69	367.76	1.00	-48.69
CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007570491	0	43	-1.0	-50.69	379.27	7.86	-42.83
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007570492	0	43	-1.0	-61.17	367.39	7.70	-53.47
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CCCCCC1	REAL300007570493	0	43	-1.0	-54.40	344.78	6.00	-48.40
CC1=CC2=CC=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=C2N=C1	REAL300007570494	0	43	-1.0	-52.50	360.97	7.81	-44.69
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007570495	0	41	-1.0	-56.92	350.63	6.54	-50.38
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570496	0	39	-1.0	-54.55	352.48	6.47	-48.08
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570497	0	40	-1.0	-55.71	369.36	0.95	-54.76
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CCCCC1	REAL300007570498	0	40	-1.0	-54.01	314.88	4.59	-49.42
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007570499	0	44	-1.0	-42.72	369.34	7.30	-35.42
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CN=C12	REAL300007570500	0	43	-1.0	-49.07	371.99	7.37	-41.70
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007570501	0	43	-1.0	-60.18	359.58	8.45	-51.73
CC1CCN(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300007570502	0	43	-1.0	-43.20	354.89	5.89	-37.31
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007570503	0	47	-1.0	-67.82	401.61	5.37	-62.45
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570504	0	41	-1.0	-57.39	375.58	3.53	-53.86
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007570505	0	45	-1.0	-57.54	380.85	9.65	-47.89
CC1CC(C)CN(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300007570506	0	46	-1.0	-44.03	349.75	6.29	-37.74
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007570507	0	41	-1.0	-59.94	348.59	7.88	-52.06
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007570508	0	45	-1.0	-46.51	387.78	9.45	-37.06
CC1=CC=C(F)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570509	0	38	-1.0	-57.02	329.68	6.67	-50.35
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=CC=C12	REAL300007570510	0	49	-1.0	-59.10	395.60	7.44	-51.66
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007570511	0	36	-1.0	-63.59	333.53	4.57	-59.02
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570512	0	39	-1.0	-58.61	352.45	6.46	-52.15
COC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570513	0	39	-1.0	-54.81	344.62	5.30	-49.51
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570514	0	50	-1.0	-45.03	404.01	8.83	-36.20
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300007570515	0	38	-1.0	-55.44	350.61	7.09	-48.35
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570516	0	45	-1.0	-45.34	385.13	6.92	-38.42
CCC1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570517	0	41	-1.0	-57.08	341.59	7.46	-49.62
CC1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570518	0	38	-1.0	-56.75	323.37	6.60	-50.15
CC1=NC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CN1C	REAL300007570519	0	38	-1.0	-65.90	339.86	4.91	-60.99
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007570520	0	38	-1.0	-42.97	351.40	7.22	-35.75
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007570521	0	36	-1.0	-64.77	324.75	4.88	-59.89
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007570522	0	40	-1.0	-51.87	339.59	7.16	-44.71
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570523	0	41	-1.0	-51.58	363.93	6.61	-44.97
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300007570524	0	39	-1.0	-50.81	350.61	5.39	-45.42
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300007570525	0	38	-1.0	-55.87	341.62	6.72	-49.15
CC1=CC=C(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570526	0	41	-1.0	-56.13	359.90	7.40	-48.73
CN1C=NC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570527	0	35	-1.0	-55.52	314.37	5.69	-49.83
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CN=C1	REAL300007570528	0	34	-1.0	-51.99	310.14	4.20	-47.79
CC1CCCCN1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570529	0	43	-1.0	-54.17	343.99	6.00	-48.17
CC(C)N(C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570530	0	39	-1.0	-43.44	329.61	4.66	-38.78
CCCN(CCC)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570531	0	45	-1.0	-43.27	370.19	6.31	-36.96
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007570532	0	38	-1.0	-41.54	370.10	7.72	-33.82
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C12	REAL300007570533	0	45	-1.0	-48.96	384.78	7.80	-41.16
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570534	0	40	-1.0	-40.12	355.93	7.58	-32.54
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570535	0	40	-1.0	-49.55	347.34	7.11	-42.44
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570536	0	43	-1.0	-60.84	368.12	8.10	-52.74
CC(C)CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570537	0	47	-1.0	-44.21	394.80	8.72	-35.49
COCCC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570538	0	45	-1.0	-54.88	391.65	6.51	-48.37
COCCN(CCOC)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570539	0	47	-1.0	-43.52	388.10	3.34	-40.18
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570540	0	38	-1.0	-56.30	339.96	7.11	-49.19
COC1=C(C)C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007570541	0	45	-1.0	-46.17	387.14	6.92	-39.25
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570542	0	51	-1.0	-45.40	427.78	8.41	-36.99
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007570543	0	49	-1.0	-45.27	410.50	8.30	-36.97
CC(C)COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570544	0	48	-1.0	-45.79	408.81	7.80	-37.99
CCCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570545	0	45	-1.0	-45.16	388.69	7.10	-38.06
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300007570546	0	39	-1.0	-50.96	360.41	5.87	-45.09
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007570547	0	42	-1.0	-53.77	364.46	6.05	-47.72
CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300007570548	0	48	-1.0	-53.65	404.48	7.59	-46.06
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007570549	0	42	-1.0	-54.93	352.73	5.89	-49.04
COCCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570550	0	46	-1.0	-48.00	398.57	5.53	-42.47
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC=C1F	REAL300007570551	0	38	-1.0	-46.97	340.15	6.75	-40.22
CC1=CC(Br)=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570552	0	38	-1.0	-41.02	348.52	7.50	-33.52
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007570553	0	43	-1.0	-51.40	365.73	9.01	-42.39
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570554	0	44	-1.0	-67.61	384.16	4.08	-63.53
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570555	0	43	-1.0	-49.46	390.19	2.21	-47.25
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570556	0	43	-1.0	-58.32	366.88	3.66	-54.66
CC1=NC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007570557	0	37	-1.0	-54.04	328.60	3.93	-50.11
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007570558	0	38	-1.0	-55.05	343.77	7.16	-47.89
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CCCC1	REAL300007570559	0	41	-1.0	-55.13	342.68	6.41	-48.72
COC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300007570560	0	39	-1.0	-50.14	350.62	5.39	-44.75
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CSC=C1	REAL300007570561	0	32	-1.0	-52.30	306.24	4.94	-47.36
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007570562	0	45	-1.0	-59.77	389.32	9.41	-50.36
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007570563	0	38	-1.0	-39.68	368.30	7.72	-31.96
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CCCCC1	REAL300007570564	0	44	-1.0	-54.78	357.45	7.13	-47.65
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570565	0	43	-1.0	-63.55	365.34	7.09	-56.46
CNC(=O)C1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CN1C	REAL300007570566	0	43	-1.0	-55.46	379.65	3.68	-51.78
COC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007570567	0	45	-1.0	-44.72	368.55	6.82	-37.90
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007570568	0	46	-1.0	-55.47	399.35	10.11	-45.36
COC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007570569	0	45	-1.0	-52.84	373.77	6.63	-46.21
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007570570	0	43	-1.0	-48.15	359.01	7.22	-40.93
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007570571	0	40	-1.0	-57.15	344.90	6.03	-51.12
CCN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007570572	0	40	-1.0	-53.60	356.87	6.74	-46.86
CCN1C=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007570572	1	39	-2.0	-141.73	357.19	7.04	-134.69
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570573	0	43	-1.0	-59.40	377.96	7.28	-52.12
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007570574	0	45	-1.0	-51.65	397.39	7.37	-44.28
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007570575	0	38	-1.0	-61.40	340.48	5.18	-56.22
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570576	0	57	-1.0	-43.64	448.77	8.90	-34.74
CC1=CC=CC(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570577	0	41	-1.0	-44.80	356.08	7.38	-37.42
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570578	0	43	-1.0	-48.20	390.66	2.66	-45.54
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007570579	0	38	-1.0	-43.41	341.08	6.78	-36.63
CC1=CC=CC=C1CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570580	0	41	-1.0	-44.68	350.50	7.30	-37.38
CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C12	REAL300007570581	0	48	-1.0	-49.54	406.85	8.71	-40.83
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570582	0	45	-1.0	-60.12	376.93	7.39	-52.73
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CCOCCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570585	0	49	-1.0	-48.21	420.43	6.50	-41.71
CCCCCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570586	0	51	-1.0	-44.25	429.44	8.63	-35.62
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007570587	0	45	-1.0	-44.72	363.86	8.52	-36.20
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007570588	0	41	-1.0	-46.88	359.50	7.82	-39.06
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007570589	0	40	-1.0	-45.38	351.47	5.40	-39.98
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007570590	0	43	-1.0	-55.24	378.05	7.29	-47.95
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007570591	0	41	-1.0	-44.27	355.22	2.37	-41.90
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007570592	0	40	-1.0	-46.77	361.85	6.22	-40.55
CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007570593	0	45	-1.0	-54.60	374.57	6.82	-47.78
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570594	0	43	-1.0	-61.88	391.47	2.18	-59.70
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007570595	0	39	-1.0	-56.12	349.94	6.55	-49.57
CSC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570596	0	39	-1.0	-44.63	353.79	7.06	-37.57
CCCCCCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570597	0	46	-1.0	-42.35	385.75	7.63	-34.72
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007570598	0	41	-1.0	-44.43	376.81	7.74	-36.69
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570599	0	46	-1.0	-43.92	382.21	7.87	-36.05
CCN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N=C1C	REAL300007570600	0	41	-1.0	-52.08	361.40	5.88	-46.20
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007570601	0	41	-1.0	-49.40	359.15	5.75	-43.65
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007570602	0	40	-1.0	-46.91	346.76	6.35	-40.56
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CCCO1	REAL300007570603	0	39	-1.0	-44.11	330.72	4.33	-39.78
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CCCCO1	REAL300007570604	0	42	-1.0	-45.38	352.33	5.06	-40.32
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C(F)(F)F	REAL300007570605	0	41	-1.0	-56.31	369.57	7.50	-48.81
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007570606	0	44	-1.0	-58.34	379.66	7.61	-50.73
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=C12	REAL300007570607	0	43	-1.0	-50.56	381.41	5.72	-44.84
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570608	0	42	-1.0	-47.71	383.07	6.64	-41.07
COCC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570609	0	42	-1.0	-56.10	369.95	5.73	-50.37
CC1(C)CC2=CC=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=C2O1	REAL300007570610	0	46	-1.0	-49.91	378.36	7.32	-42.59
CCN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570611	0	38	-1.0	-51.78	341.70	4.59	-47.19
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007570612	0	38	-1.0	-45.55	348.42	7.15	-38.40
CC(C1CC1)N(C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570613	0	43	-1.0	-42.46	351.88	5.91	-36.55
CN1N=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570614	0	35	-1.0	-50.31	304.65	3.22	-47.09
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007570615	0	38	-1.0	-56.49	365.66	7.62	-48.87
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CCOC1	REAL300007570616	0	39	-1.0	-40.75	329.39	3.85	-36.90
CC1CC2=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC=C2O1	REAL300007570617	0	43	-1.0	-54.61	372.05	6.58	-48.03
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570618	0	47	-1.0	-54.33	362.74	8.83	-45.50
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007570619	0	41	-1.0	-53.36	381.51	6.69	-46.67
COCCN(C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570620	0	40	-1.0	-42.77	345.03	3.40	-39.37
CN(CC1CC1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570621	0	40	-1.0	-41.73	344.06	5.75	-35.98
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=C2)=CO1	REAL300007570622	0	44	-1.0	-49.76	392.25	5.14	-44.62
CN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007570623	0	38	-1.0	-51.65	353.08	4.88	-46.77
CN1C=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007570623	1	37	-2.0	-133.39	351.69	4.62	-128.77
CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C(C)O1	REAL300007570624	0	38	-1.0	-45.46	338.18	5.61	-39.85
CC1=CSC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570625	0	35	-1.0	-54.62	329.18	5.70	-48.92
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007570626	0	38	-1.0	-57.95	346.11	6.42	-51.53
O=C([O-])C(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007570626	1	37	-2.0	-138.22	343.38	6.15	-132.07
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007570627	0	38	-1.0	-51.25	341.16	4.65	-46.60
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570628	0	38	-1.0	-51.82	342.10	2.68	-49.14
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=C2CCCN12	REAL300007570629	0	39	-1.0	-49.90	343.43	5.50	-44.40
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])SC=C1	REAL300007570630	0	35	-1.0	-56.02	307.22	4.83	-51.19
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007570631	0	43	-1.0	-54.06	368.60	6.64	-47.42
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007570632	0	42	-1.0	-55.17	350.83	7.48	-47.69
CC1=CC=C(N2C=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=N2)C=C1	REAL300007570633	0	45	-1.0	-51.86	397.55	7.83	-44.03
CC1CC2=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC(Cl)=C2O1	REAL300007570634	0	43	-1.0	-55.47	388.92	7.10	-48.37
CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007570635	0	40	-1.0	-49.28	359.12	7.20	-42.08
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCCCF	REAL300007570636	0	37	-1.0	-42.64	326.71	5.44	-37.20
CC1=NN(C)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570637	0	38	-1.0	-55.39	331.91	4.11	-51.28
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300007570638	0	35	-1.0	-48.22	320.44	4.91	-43.31
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N(C)N=C1	REAL300007570639	0	38	-1.0	-43.99	329.93	4.45	-39.54
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007570640	0	37	-1.0	-53.72	346.92	5.47	-48.25
CN(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570641	0	43	-1.0	-46.77	365.07	6.44	-40.33
CC1=CC2=CC=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=C2C=C1	REAL300007570642	0	44	-1.0	-55.98	382.31	8.91	-47.07
COC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])SC=C1	REAL300007570643	0	36	-1.0	-60.36	322.78	4.16	-56.20
CN(C)C1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570644	0	43	-1.0	-55.87	366.65	6.39	-49.48
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007570645	0	40	-1.0	-49.73	350.30	5.84	-43.89
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007570646	0	40	-1.0	-47.49	361.53	6.09	-41.40
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007570647	0	40	-1.0	-54.70	350.66	5.85	-48.85
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007570648	0	41	-1.0	-53.89	376.98	8.01	-45.88
CN1CCCC2=CC=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=C21	REAL300007570649	0	47	-1.0	-57.42	389.13	6.57	-50.85
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007570650	0	37	-1.0	-51.03	349.87	5.19	-45.84
COC1=CC=CC(OC)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570651	0	43	-1.0	-64.15	367.12	6.57	-57.58
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570652	0	43	-1.0	-49.16	365.87	7.67	-41.49
CC1=CC=C(C)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007570653	0	43	-1.0	-52.62	366.46	8.95	-43.67
CC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007570654	0	43	-1.0	-49.19	368.35	7.80	-41.39
COC1=CC=C(CCS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570655	0	45	-1.0	-54.99	389.50	6.81	-48.18
COC1=CN=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570656	0	38	-1.0	-52.76	339.48	3.46	-49.30
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007570657	0	44	-1.0	-46.37	388.84	7.72	-38.65
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007570658	0	42	-1.0	-44.84	362.77	8.14	-36.70
COC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC(OC)=C1	REAL300007570659	0	43	-1.0	-56.76	373.88	4.62	-52.14
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1CCCCC1	REAL300007570660	0	47	-1.0	-54.24	380.78	7.68	-46.56
CC1=CC=C(CCS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570661	0	44	-1.0	-54.55	381.40	8.19	-46.36
CC1=CC2=C(C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-])OCO2	REAL300007570662	0	41	-1.0	-43.84	353.21	5.54	-38.30
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007570663	0	38	-1.0	-62.13	337.26	6.31	-55.82
COC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=C1Cl	REAL300007570664	0	39	-1.0	-50.31	360.43	5.87	-44.44
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1CCCC1	REAL300007570665	0	44	-1.0	-54.12	365.20	7.12	-47.00
CN1C=NC2=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300007570666	0	41	-1.0	-58.08	363.37	7.33	-50.75
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007570667	0	43	-1.0	-53.86	366.24	7.87	-45.99
CC1=NC2=CC=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=C2O1	REAL300007570668	0	40	-1.0	-52.85	358.47	3.68	-49.17
CCC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1CC	REAL300007570669	0	47	-1.0	-55.88	391.95	8.58	-47.30
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570670	0	43	-1.0	-41.32	370.92	8.32	-33.00
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570671	0	45	-1.0	-49.57	374.45	7.63	-41.94
CC1=C(C)SC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570672	0	38	-1.0	-46.20	348.80	6.47	-39.73
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570673	0	36	-1.0	-42.71	338.55	3.93	-38.78
CC1=NC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007570674	0	34	-1.0	-51.88	324.30	3.88	-48.00
CCC1=NC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007570675	0	37	-1.0	-51.66	346.00	4.61	-47.05
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(N)=NO1	REAL300007570676	0	36	-1.0	-46.86	319.75	3.33	-43.53
CC1=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C(N)=NO1	REAL300007570676	1	35	-2.0	-121.67	314.96	3.72	-117.95
CN(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570677	0	42	-1.0	-56.21	363.59	5.77	-50.44
CC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007570678	0	38	-1.0	-45.96	345.46	6.70	-39.26
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007570679	0	41	-1.0	-62.48	357.76	7.59	-54.89
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007570680	0	38	-1.0	-45.77	323.77	4.46	-41.31
CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC(C)=C1F	REAL300007570681	0	41	-1.0	-42.44	360.58	7.38	-35.06
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CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570686	0	37	-1.0	-55.44	331.75	4.78	-50.66
CC1=NC(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300007570687	0	37	-1.0	-48.54	344.76	4.45	-44.09
COC(CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300007570688	0	42	-1.0	-43.49	353.27	5.34	-38.15
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CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=C1Cl	REAL300007570690	0	38	-1.0	-51.57	350.58	7.08	-44.49
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007570691	0	41	-1.0	-66.93	362.97	6.99	-59.94
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007570692	0	43	-1.0	-50.03	367.11	7.27	-42.76
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007570693	0	42	-1.0	-62.31	380.01	3.87	-58.44
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007570694	0	44	-1.0	-51.38	375.68	6.43	-44.95
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007570695	0	38	-1.0	-43.14	354.75	7.23	-35.91
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570696	0	48	-1.0	-54.36	402.70	7.56	-46.80
COC(CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300007570697	0	48	-1.0	-54.25	391.89	6.33	-47.92
COC(CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300007570698	0	51	-1.0	-55.04	406.42	7.04	-48.00
CC1(C)CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CO1	REAL300007570699	0	42	-1.0	-53.99	342.13	4.13	-49.86
CCOC(CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300007570700	0	45	-1.0	-43.88	375.17	6.31	-37.57
CCC1=NC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CN1CC1CC1	REAL300007570701	0	48	-1.0	-51.91	409.96	7.84	-44.07
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007570702	0	38	-1.0	-52.11	355.69	5.55	-46.56
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007570703	0	43	-1.0	-56.25	373.68	8.25	-48.00
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570704	0	42	-1.0	-44.42	359.83	5.89	-38.53
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007570705	0	48	-1.0	-52.67	407.87	7.86	-44.81
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570706	0	38	-1.0	-42.33	350.63	4.47	-37.86
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007570707	0	45	-1.0	-52.30	382.08	9.51	-42.79
CCC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C(C)C=C1OC	REAL300007570708	0	48	-1.0	-52.89	389.36	7.17	-45.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007570709	0	36	-2.0	-142.68	340.74	4.75	-137.93
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007570709	1	37	-1.0	-52.70	338.62	5.22	-47.48
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007570710	0	44	-1.0	-49.01	363.77	9.10	-39.91
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570711	0	44	-1.0	-50.01	384.10	4.56	-45.45
COC1=C(F)C=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570712	0	39	-1.0	-52.32	348.21	6.18	-46.14
CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C(C)C	REAL300007570713	0	51	-1.0	-55.42	425.07	8.25	-47.17
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300007570714	0	47	-1.0	-55.30	393.12	8.27	-47.03
CN1N=C2CCCCC2=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570715	0	45	-1.0	-47.64	373.13	6.07	-41.57
CN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300007570716	0	47	-1.0	-56.96	372.70	5.86	-51.10
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007570717	0	45	-1.0	-54.94	373.82	5.97	-48.97
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570718	0	38	-1.0	-41.66	344.30	4.85	-36.81
COC1=CC=C(F)C=C1CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570719	0	42	-1.0	-46.79	369.42	6.14	-40.65
C=CCCC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570720	0	45	-1.0	-54.55	392.04	8.80	-45.75
CCC1=NN(C)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570721	0	41	-1.0	-53.95	354.51	4.77	-49.18
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007570722	0	39	-1.0	-52.81	364.98	7.74	-45.07
CCCOC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1CC	REAL300007570723	0	51	-1.0	-53.22	420.59	8.18	-45.04
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570724	0	41	-1.0	-41.07	355.86	8.03	-33.04
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCCC1CC1	REAL300007570725	0	41	-1.0	-54.32	353.20	6.83	-47.49
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007570726	0	39	-1.0	-54.14	362.25	7.67	-46.47
CCCC1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570727	0	44	-1.0	-57.58	363.93	8.27	-49.31
COC1=NC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570728	0	38	-1.0	-47.68	325.94	3.21	-44.47
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007570729	0	40	-1.0	-57.40	341.90	6.45	-50.95
CC1=NC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N1C	REAL300007570730	0	38	-1.0	-54.37	325.53	4.41	-49.96
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=N1	REAL300007570731	0	34	-1.0	-51.17	305.19	4.78	-46.39
CC1=CSC(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570732	0	38	-1.0	-42.67	336.32	6.70	-35.97
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007570733	0	42	-1.0	-55.46	357.64	5.39	-50.07
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007570734	0	42	-1.0	-45.21	357.92	5.78	-39.43
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007570735	0	45	-1.0	-51.94	370.41	6.12	-45.82
CC1(C)COC2=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=NN2C1	REAL300007570736	0	46	-1.0	-47.19	376.27	3.98	-43.21
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007570737	0	41	-1.0	-53.33	382.78	6.93	-46.40
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007570738	0	42	-1.0	-48.49	355.13	6.02	-42.47
COC1=CC(C(C)C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007570739	0	51	-1.0	-53.82	404.40	7.59	-46.23
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570740	0	45	-1.0	-58.64	383.06	7.82	-50.82
CC1CC2=CC=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=C2O1	REAL300007570741	0	43	-1.0	-64.28	363.84	6.73	-57.55
CC(C)(C)C1=NC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007570742	0	43	-1.0	-51.68	384.43	5.71	-45.97
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007570743	0	41	-1.0	-48.20	366.35	6.67	-41.53
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570744	0	40	-1.0	-57.87	356.53	5.69	-52.18
CCN1N=NC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570745	0	37	-1.0	-44.48	329.71	3.31	-41.17
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007570746	0	44	-1.0	-54.21	358.02	5.91	-48.30
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007570747	0	36	-1.0	-50.30	329.86	4.76	-45.54
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007570748	0	38	-1.0	-49.18	354.67	7.51	-41.67
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570749	0	42	-1.0	-47.31	366.33	5.83	-41.48
CC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1F	REAL300007570750	0	44	-1.0	-44.14	366.93	8.29	-35.85
COC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1OC	REAL300007570751	0	43	-1.0	-55.55	371.09	5.93	-49.62
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=COC2=CC=CC=C21	REAL300007570752	0	38	-1.0	-47.20	330.91	5.85	-41.35
CN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300007570753	0	48	-1.0	-48.23	400.76	6.92	-41.31
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570754	0	47	-1.0	-48.11	394.59	6.67	-41.44
CCCCN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=N1	REAL300007570755	0	47	-1.0	-52.97	397.37	6.34	-46.63
CN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C2CC2)=N1	REAL300007570756	0	42	-1.0	-48.85	372.17	5.95	-42.90
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007570757	0	39	-1.0	-46.93	352.83	5.62	-41.31
CN1N=NC2=C(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=CC=C21	REAL300007570758	0	40	-1.0	-56.83	360.62	4.48	-52.35
CC1(C)CCCN(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300007570759	0	46	-1.0	-54.33	369.52	6.36	-47.97
CN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300007570760	0	45	-1.0	-48.37	386.85	6.41	-41.96
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570761	0	53	-1.0	-55.21	415.42	9.60	-45.61
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007570762	0	45	-1.0	-56.52	389.21	6.64	-49.88
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007570763	0	39	-1.0	-45.80	351.76	7.33	-38.47
COC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007570764	0	44	-1.0	-58.66	378.18	7.34	-51.32
CCCC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570765	0	44	-1.0	-55.37	379.51	8.20	-47.17
CN1N=C2CCCC2=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570766	0	42	-1.0	-48.40	360.17	5.62	-42.78
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007570767	0	41	-1.0	-43.66	343.42	5.54	-38.12
CC1=CC=CC(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570768	0	41	-1.0	-54.00	337.45	7.39	-46.61
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570769	0	44	-1.0	-52.84	353.33	5.35	-47.49
CC(C)(C)N1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570770	0	44	-1.0	-52.00	380.32	5.73	-46.27
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007570771	0	42	-1.0	-45.87	363.31	5.03	-40.84
CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007570772	0	40	-1.0	-46.99	366.13	5.81	-41.18
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007570773	0	38	-1.0	-48.27	360.01	7.08	-41.19
CC1=NN(C)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570774	0	38	-1.0	-51.18	322.01	3.45	-47.73
CC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007570775	0	41	-1.0	-57.75	338.33	7.00	-50.75
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570776	0	46	-1.0	-59.18	399.72	8.03	-51.15
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007570777	0	46	-1.0	-48.05	384.07	9.14	-38.91
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007570778	0	41	-1.0	-42.55	372.09	6.98	-35.57
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007570779	0	41	-1.0	-53.22	355.78	6.39	-46.83
CN(C1CCC1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570780	0	40	-1.0	-42.71	335.70	5.18	-37.53
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007570781	0	42	-1.0	-46.62	364.13	4.35	-42.27
O=C([O-])C(CC1=CC=CC=C1)NC(=O)N1CCC(F)(F)CC1	REAL300007570782	0	39	-1.0	-53.95	323.75	8.42	-45.53
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O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007570784	0	42	-1.0	-46.11	365.07	8.19	-37.92
COC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=CS1	REAL300007570785	0	36	-1.0	-43.36	322.31	5.04	-38.32
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007570786	0	45	-1.0	-46.19	380.67	6.69	-39.50
CCC(C)N1N=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570787	0	44	-1.0	-51.17	365.13	5.34	-45.83
CN(C(C)(C)C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570788	0	42	-1.0	-43.34	340.03	5.48	-37.86
CCC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300007570789	0	38	-1.0	-55.87	342.18	5.67	-50.20
CN(C1CCCCCC1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570790	0	49	-1.0	-54.38	367.67	6.35	-48.03
CN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C2CCOCC2)=N1	REAL300007570791	0	49	-1.0	-48.47	413.13	5.17	-43.30
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COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007570795	0	36	-1.0	-44.48	339.64	4.53	-39.95
CC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=NC=CC=C12	REAL300007570796	0	46	-1.0	-56.40	387.27	8.43	-47.97
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007570797	0	43	-1.0	-39.72	370.65	6.24	-33.48
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007570798	0	38	-1.0	-55.17	348.63	4.70	-50.47
CCOCC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570799	0	45	-1.0	-56.13	391.80	6.70	-49.43
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570800	0	45	-1.0	-51.29	395.25	7.22	-44.07
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CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C12	REAL300007570805	0	44	-1.0	-50.23	374.36	8.96	-41.27
CN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007570806	0	45	-1.0	-54.62	388.28	7.30	-47.32
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CC2CC1C2	REAL300007570807	0	38	-1.0	-55.96	315.07	4.42	-51.54
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CCOCCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570809	0	41	-1.0	-41.51	354.15	4.56	-36.95
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007570810	0	40	-1.0	-43.49	357.58	-0.02	-43.51
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007570811	0	38	-1.0	-52.48	339.19	6.42	-46.06
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CC1=NC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007570816	0	44	-1.0	-54.17	382.58	6.29	-47.88
CC1=NC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007570816	1	43	-2.0	-151.88	384.58	5.32	-146.56
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007570817	0	52	-1.0	-43.39	388.07	8.88	-34.51
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CCN1C=NN=N1	REAL300007570818	0	36	-1.0	-58.19	329.53	3.88	-54.31
CC1(C)COC(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300007570819	0	45	-1.0	-59.52	375.56	5.16	-54.36
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007570820	0	38	-1.0	-61.96	345.98	1.66	-60.30
CC(C)(CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C(C)(F)F	REAL300007570821	0	43	-1.0	-47.46	352.27	6.51	-40.95
CS(=O)(=O)CCCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570822	0	43	-1.0	-55.14	383.75	2.86	-52.28
CC1(C)CCC(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])OC1	REAL300007570823	0	48	-1.0	-56.36	389.02	6.37	-49.99
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007570824	0	45	-1.0	-42.84	384.94	8.33	-34.51
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007570825	0	39	-1.0	-50.27	359.08	5.04	-45.23
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007570826	0	45	-1.0	-42.79	395.21	8.92	-33.87
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007570827	0	44	-1.0	-58.81	367.20	3.45	-55.36
COCCC1(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300007570828	0	42	-1.0	-43.94	344.36	5.11	-38.83
CCN1N=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007570829	0	37	-1.0	-54.57	336.81	2.91	-51.66
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007570829	1	36	-2.0	-134.02	329.26	3.23	-130.79
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007570830	0	48	-1.0	-55.02	382.44	8.02	-47.00
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007570831	0	39	-1.0	-55.52	359.39	7.36	-48.16
COC1=CC=C(C=C(C)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007570832	0	46	-1.0	-54.65	386.99	6.96	-47.69
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570833	0	40	-1.0	-55.98	332.73	2.53	-53.45
CC1=COC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570834	0	35	-1.0	-46.15	318.17	4.74	-41.41
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300007570835	0	35	-1.0	-48.22	320.44	4.91	-43.31
CCC1=NNC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570836	0	38	-1.0	-45.49	337.26	3.77	-41.72
COC1=CSC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1OC	REAL300007570837	0	40	-1.0	-58.70	349.20	3.23	-55.47
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007570838	0	47	-1.0	-46.72	373.68	6.51	-40.21
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570839	0	46	-1.0	-54.20	393.23	7.83	-46.37
COC1=CC(F)=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300007570840	0	39	-1.0	-46.59	353.40	5.64	-40.95
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300007570840	1	38	-2.0	-141.38	346.52	5.91	-135.47
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007570841	0	39	-1.0	-57.12	360.33	5.66	-51.46
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570842	0	41	-1.0	-53.22	359.26	5.92	-47.30
CN1C=CC2=CC(S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300007570843	0	42	-1.0	-59.91	368.79	7.75	-52.16
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570844	0	48	-1.0	-50.88	404.50	8.47	-42.41
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007570845	0	46	-1.0	-58.92	405.51	8.91	-50.01
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570846	0	41	-1.0	-66.73	340.99	6.98	-59.75
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007570847	0	36	-1.0	-45.58	343.70	4.93	-40.65
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570848	0	46	-1.0	-54.53	398.79	7.62	-46.91
CCN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C2CC2)=N1	REAL300007570849	0	45	-1.0	-48.34	388.71	6.80	-41.54
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=NSN=C2C=C1	REAL300007570850	0	39	-1.0	-66.50	354.19	5.40	-61.10
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007570851	0	41	-1.0	-53.37	377.48	8.79	-44.58
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007570852	0	34	-1.0	-48.93	342.46	4.02	-44.91
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570853	0	48	-1.0	-47.36	402.55	7.28	-40.08
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=C(Cl)OC=C1	REAL300007570854	0	32	-1.0	-43.06	312.51	4.55	-38.51
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007570855	0	32	-1.0	-50.04	324.47	5.55	-44.49
COCCC1=CC=C(OC)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570856	0	49	-1.0	-61.10	412.69	6.47	-54.63
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007570857	0	41	-1.0	-46.54	369.34	8.78	-37.76
CN1N=C2CCOCC2=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570858	0	43	-1.0	-48.54	364.36	3.73	-44.81
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007570859	0	42	-1.0	-58.49	345.45	7.63	-50.86
CC1(C)CCN(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300007570860	0	46	-1.0	-43.18	360.20	5.91	-37.27
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570861	0	38	-1.0	-42.90	342.30	3.68	-39.22
COC1=NC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007570862	0	41	-1.0	-50.52	362.52	3.41	-47.11
CC(C)CN1C=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007570863	0	44	-1.0	-56.22	383.12	6.12	-50.10
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570864	0	44	-1.0	-52.47	370.63	5.50	-46.97
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007570865	0	45	-1.0	-39.94	365.71	3.56	-36.38
COCC1=CC(CS(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=NO1	REAL300007570866	0	41	-1.0	-47.26	368.77	3.92	-43.34
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N=C1	REAL300007570867	0	46	-1.0	-47.11	385.98	6.40	-40.71
CC(C)N1N=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570868	0	41	-1.0	-44.10	358.54	5.19	-38.91
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007570869	0	42	-1.0	-44.39	362.54	6.21	-38.18
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007570870	0	42	-1.0	-57.27	360.93	6.70	-50.57
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007570871	0	37	-1.0	-48.70	341.79	4.94	-43.76
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007570872	0	40	-1.0	-64.95	348.77	6.38	-58.57
CC1=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=NN1C(C)C	REAL300007570873	0	44	-1.0	-51.72	367.69	5.46	-46.26
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007570874	0	40	-1.0	-52.29	349.78	6.49	-45.80
CC1=CN=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007570875	0	40	-1.0	-51.03	348.34	5.68	-45.35
CC1=CN=CC=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570876	0	37	-1.0	-41.80	319.32	4.84	-36.96
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CC=C(Br)CC1	REAL300007570877	0	38	-1.0	-41.71	344.48	5.66	-36.05
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570878	0	43	-1.0	-57.26	361.55	1.38	-55.88
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CC2CCC(C1)O2	REAL300007570879	0	42	-1.0	-41.29	327.58	3.88	-37.41
N#CC1CCN(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300007570880	0	41	-1.0	-56.30	353.09	5.48	-50.82
COC1=CC=NC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570881	0	38	-1.0	-56.75	330.45	3.25	-53.50
C=CCN(CC=C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570882	0	41	-1.0	-43.45	353.25	5.94	-37.51
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C(F)F)=C1	REAL300007570883	0	42	-1.0	-62.80	353.64	5.74	-57.06
COC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N=C1	REAL300007570884	0	38	-1.0	-47.72	339.01	3.37	-44.35
CC1=CC=CN=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570885	0	37	-1.0	-59.73	318.75	5.08	-54.65
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007570886	0	40	-1.0	-55.91	340.10	5.96	-49.95
CCOC1=CC=CN=C1S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300007570887	0	41	-1.0	-62.69	358.21	5.30	-57.39
CC1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C2=NC=CC=C12	REAL300007570888	0	43	-1.0	-64.30	368.05	7.06	-57.24
CC1=CC(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=N1	REAL300007570889	0	37	-1.0	-51.71	332.03	4.83	-46.88
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007570890	0	39	-1.0	-62.54	342.12	5.74	-56.80
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)N1CCC(F)(F)C1	REAL300007570891	0	37	-1.0	-45.57	329.51	4.49	-41.08
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CN=CS1	REAL300007570892	0	31	-1.0	-51.57	302.52	3.16	-48.41
O=C([O-])C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007570893	0	37	-1.0	-55.64	333.55	4.79	-50.85
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007570894	0	48	-1.0	-48.03	401.79	8.10	-39.93
CC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570895	0	28	-1.0	-46.81	271.44	3.71	-43.10
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007570896	0	29	-1.0	-48.64	272.48	2.51	-46.13
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007570897	0	31	-1.0	-54.50	296.11	-0.29	-54.79
O=C([O-])CCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007570898	0	29	-1.0	-43.89	281.42	1.98	-41.91
COC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1OC	REAL300007570899	0	36	-1.0	-49.45	308.88	2.30	-47.15
O=C([O-])CCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007570900	0	41	-1.0	-46.04	337.27	6.00	-40.04
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1Br	REAL300007570901	0	25	-1.0	-46.61	251.87	2.93	-43.68
O=C([O-])CCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007570902	0	25	-1.0	-44.46	256.73	2.80	-41.66
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC(=O)[O-]	REAL300007570903	0	35	-1.0	-54.79	318.47	-1.26	-56.05
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007570904	0	34	-1.0	-58.29	320.45	0.39	-57.90
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007570905	0	30	-1.0	-46.54	286.54	2.68	-43.86
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007570906	0	28	-1.0	-46.65	280.47	3.53	-43.12
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007570907	0	42	-1.0	-53.57	373.43	1.37	-52.20
CS(=O)(=O)N1CCN(S(=O)(=O)NCCC(=O)[O-])CC1	REAL300007570908	0	35	-1.0	-54.64	306.13	-2.25	-56.89
CC1=C(S(=O)(=O)NCCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007570909	0	34	-1.0	-52.59	308.76	3.52	-49.07
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007570910	0	38	-1.0	-52.60	339.65	5.15	-47.45
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007570911	0	33	-1.0	-60.88	301.89	1.60	-59.28
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007570912	0	31	-1.0	-45.62	302.40	3.33	-42.29
COC1=CC(Cl)=C(S(=O)(=O)NCCC(=O)[O-])C=C1OC	REAL300007570913	0	33	-1.0	-46.87	295.76	1.44	-45.43
COC1=CC(S(=O)(=O)NCCC(=O)[O-])=C(OC)C=C1Br	REAL300007570914	0	33	-1.0	-45.03	305.80	1.98	-43.05
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007570915	0	28	-1.0	-47.15	274.92	3.38	-43.77
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007570916	0	31	-1.0	-46.83	290.83	4.97	-41.86
O=C([O-])CCNS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007570917	0	35	-1.0	-46.88	330.89	6.23	-40.65
O=C([O-])CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007570918	0	30	-1.0	-43.55	288.56	4.42	-39.13
COCCOC1=C(Cl)C=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300007570919	0	36	-1.0	-45.88	356.38	2.92	-42.96
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007570920	0	29	-1.0	-47.02	280.90	1.83	-45.19
O=C([O-])CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007570921	0	32	-1.0	-47.38	292.68	3.87	-43.51
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570922	0	40	-1.0	-49.20	328.19	3.20	-46.00
COCC1=CC=C(OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007570923	0	36	-1.0	-48.48	311.01	1.74	-46.74
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571001	0	39	-2.0	-102.73	355.11	-0.67	-103.40
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571001	1	40	-1.0	-48.65	355.26	-0.55	-49.20
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007571002	0	31	-1.0	-45.07	304.03	0.28	-44.79
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007571003	0	34	-1.0	-53.84	301.98	5.94	-47.90
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571004	0	43	0.0	-76.32	351.87	3.38	-72.94
O=C([O-])CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007571005	0	33	-1.0	-48.09	304.86	3.45	-44.64
COCC1=CC(Cl)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571006	0	32	-1.0	-46.79	307.22	2.42	-44.37
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007571007	0	25	-1.0	-45.33	267.98	2.38	-42.95
COC1=CC=C2C=C(S(=O)(=O)NCCC(=O)[O-])CCC2=C1	REAL300007571008	0	37	-1.0	-47.28	319.35	3.89	-43.39
CC(C)(CCS(=O)(=O)NCCC(=O)[O-])S(C)(=O)=O	REAL300007571009	0	36	-1.0	-55.16	308.66	-0.70	-55.86
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCCC(=O)[O-])C=C12	REAL300007571010	0	40	-1.0	-50.10	358.83	5.44	-44.66
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCCC(=O)[O-])C=C12	REAL300007571011	0	44	-1.0	-47.83	376.92	2.96	-44.87
CCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007571012	0	33	-1.0	-53.02	297.84	4.00	-49.02
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007571013	0	25	-1.0	-44.45	256.70	2.81	-41.64
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571014	0	32	-1.0	-43.67	292.17	3.36	-40.31
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007571015	0	31	-1.0	-54.83	290.94	2.93	-51.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007571016	0	41	-1.0	-51.06	363.78	-0.24	-51.30
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571017	0	42	-1.0	-50.57	372.17	1.91	-48.66
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571018	0	36	-1.0	-50.84	331.01	0.19	-50.65
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007571019	0	29	-1.0	-45.31	285.33	2.16	-43.15
O=C([O-])CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007571020	0	31	-1.0	-43.72	313.21	4.20	-39.52
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300007571021	0	28	-1.0	-44.62	274.93	3.37	-41.25
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)=C1	REAL300007571022	0	39	-1.0	-47.05	345.51	5.71	-41.34
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007571023	0	29	-1.0	-44.98	281.39	1.98	-43.00
O=C([O-])CCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007571024	0	34	-1.0	-46.68	298.25	2.13	-44.55
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571025	0	41	-1.0	-47.13	332.05	4.32	-42.81
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300007571026	0	32	-1.0	-50.04	310.85	4.57	-45.47
COC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571027	0	29	-1.0	-45.05	277.23	2.64	-42.41
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571028	0	43	-1.0	-45.42	337.74	5.99	-39.43
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1OCC	REAL300007571029	0	39	-1.0	-48.73	337.86	3.23	-45.50
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571030	0	30	-1.0	-52.04	289.66	-2.86	-54.90
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007571031	0	33	-1.0	-45.37	299.83	4.03	-41.34
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300007571032	0	33	-1.0	-50.50	295.29	4.29	-46.21
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007571033	0	31	-1.0	-49.44	282.28	2.97	-46.47
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571034	0	30	-1.0	-51.56	289.60	-2.85	-54.41
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007571035	0	37	-1.0	-50.66	344.43	0.04	-50.62
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCC(=O)[O-]	REAL300007571036	0	33	-1.0	-47.60	303.21	3.75	-43.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300007571037	0	33	-1.0	-50.38	291.34	4.86	-45.52
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571038	0	36	-1.0	-50.27	330.16	0.23	-50.04
O=C([O-])CCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007571039	0	37	-1.0	-59.89	321.36	1.53	-58.36
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571040	0	31	-1.0	-53.74	296.12	-0.29	-54.03
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007571041	0	35	-1.0	-49.56	304.77	5.77	-43.79
O=C([O-])CCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007571042	0	35	-1.0	-47.77	309.60	5.60	-42.17
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCC(=O)[O-])C=CC=C12	REAL300007571043	0	39	-1.0	-48.22	329.84	4.39	-43.83
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007571044	0	30	-1.0	-46.34	291.68	4.67	-41.67
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007571045	0	36	-1.0	-49.05	340.92	5.58	-43.47
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571046	0	31	-1.0	-44.75	284.16	2.68	-42.07
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007571047	0	36	-1.0	-45.85	340.81	5.55	-40.30
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300007571048	0	40	-1.0	-47.22	353.58	4.33	-42.89
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCC(=O)[O-])C(C(C)C)=C1	REAL300007571049	0	52	-1.0	-45.12	393.70	8.05	-37.07
CC(C)OC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300007571050	0	41	-1.0	-49.24	344.54	5.44	-43.80
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007571051	0	28	-1.0	-47.60	291.09	3.87	-43.73
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300007571052	0	35	-1.0	-49.57	304.79	3.89	-45.68
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007571053	0	43	-1.0	-50.27	372.53	2.18	-48.09
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007571054	0	41	-1.0	-50.25	355.11	-0.15	-50.40
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571055	0	33	-1.0	-49.99	295.00	4.65	-45.34
CC(C)CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571056	0	41	-1.0	-46.50	347.35	4.52	-41.98
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007571057	0	39	-1.0	-45.75	330.07	4.41	-41.34
CC(C)COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571058	0	38	-1.0	-45.81	328.35	3.91	-41.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007571059	0	29	-1.0	-46.96	290.70	2.32	-44.64
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1OC(C)C	REAL300007571060	0	38	-1.0	-47.12	324.76	3.78	-43.34
COCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571061	0	36	-1.0	-49.69	320.41	1.68	-48.01
CC1=CC(Br)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571062	0	28	-1.0	-44.86	271.41	3.70	-41.16
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300007571063	0	33	-1.0	-49.28	286.60	4.92	-44.36
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571064	0	34	-1.0	-58.01	310.86	0.61	-57.40
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007571065	0	37	-1.0	-50.63	344.44	0.03	-50.60
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571066	0	33	-1.0	-51.14	312.02	-1.64	-52.78
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571067	0	33	-1.0	-50.23	273.04	-0.05	-50.28
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007571068	0	35	-1.0	-50.16	309.62	5.60	-44.56
O=C([O-])CCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007571069	0	28	-1.0	-46.14	292.65	3.90	-42.24
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])S2)=CS1	REAL300007571070	0	31	-1.0	-48.16	314.87	2.75	-45.41
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007571071	0	45	-1.0	-45.77	369.99	5.81	-39.96
O=C([O-])CCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007571072	0	36	-1.0	-48.40	319.63	6.31	-42.09
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300007571073	0	42	-1.0	-49.26	382.18	3.83	-45.43
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCC(=O)[O-])=C2	REAL300007571074	0	38	-1.0	-52.68	335.24	6.02	-46.66
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007571075	0	32	-1.0	-46.65	306.33	2.88	-43.77
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007571076	0	39	-1.0	-47.32	346.67	5.47	-41.85
O=C([O-])CCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007571077	0	35	-1.0	-47.46	321.40	3.74	-43.72
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCC(=O)[O-]	REAL300007571078	0	47	-1.0	-45.83	369.42	5.03	-40.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571079	0	33	-1.0	-51.48	312.50	-1.19	-52.67
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007571080	0	40	-1.0	-56.25	357.35	1.32	-54.93
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300007571081	0	38	-1.0	-49.20	326.60	4.82	-44.38
CCOCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571082	0	39	-1.0	-47.82	342.25	2.65	-45.17
CCCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571083	0	41	-1.0	-46.59	351.28	4.77	-41.82
O=C([O-])CCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007571084	0	31	-1.0	-47.80	283.80	4.00	-43.80
O=C([O-])CCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007571085	0	29	-1.0	-45.69	291.79	3.65	-42.04
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571086	0	33	-1.0	-55.51	312.05	-1.65	-57.16
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300007571087	0	46	-1.0	-55.75	383.12	2.89	-52.86
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007571088	0	44	-1.0	-53.85	367.05	0.04	-53.81
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007571089	0	46	-1.0	-57.13	375.77	2.50	-54.63
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571090	0	46	-1.0	-54.44	388.10	2.97	-51.47
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007571091	0	43	-1.0	-55.43	372.54	2.17	-53.26
O=C([O-])CCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007571092	0	31	-1.0	-49.31	298.24	3.92	-45.39
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300007571093	0	31	-1.0	-50.73	323.14	3.48	-47.25
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007571094	0	37	-1.0	-49.48	329.14	4.17	-45.31
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(F)(F)F	REAL300007571095	0	31	-1.0	-48.20	289.84	3.71	-44.49
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007571096	0	31	-1.0	-50.99	308.25	2.92	-48.07
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300007571097	0	32	-1.0	-48.97	304.07	2.79	-46.18
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300007571098	0	36	-1.0	-50.86	352.24	-0.35	-51.21
O=C([O-])CCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007571099	0	37	-1.0	-62.67	332.01	0.69	-61.98
O=C([O-])CCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007571100	0	32	-1.0	-46.65	305.17	2.70	-43.95
COC1=CC(OC)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007571101	0	33	-1.0	-45.43	305.83	2.00	-43.43
O=C([O-])CCNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007571102	0	38	-1.0	-49.65	357.72	4.22	-45.43
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007571103	0	33	-1.0	-49.64	297.27	2.83	-46.81
O=C([O-])CCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007571104	0	28	-1.0	-48.35	286.08	3.80	-44.55
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571105	0	37	-1.0	-50.91	323.35	1.18	-49.73
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007571106	0	36	-1.0	-48.47	340.82	5.54	-42.93
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300007571107	0	31	-1.0	-54.28	323.14	3.47	-50.81
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007571108	0	31	-1.0	-47.90	301.84	2.86	-45.04
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007571109	0	31	-1.0	-50.75	318.57	3.38	-47.37
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)=CO1	REAL300007571110	0	34	-1.0	-49.70	311.81	1.26	-48.44
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007571111	0	28	-1.0	-48.14	274.88	1.14	-47.00
CN1C=C(S(=O)(=O)[N-]CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007571111	1	27	-2.0	-113.11	271.81	0.64	-112.47
CC1=CC=C(N2C=C(S(=O)(=O)NCCC(=O)[O-])C=N2)C=C1	REAL300007571112	0	35	-1.0	-48.13	317.38	3.97	-44.16
CC1CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC(Cl)=C2O1	REAL300007571113	0	33	-1.0	-45.44	309.20	3.30	-42.14
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCC(=O)[O-])C=N1	REAL300007571114	0	36	-1.0	-54.34	323.15	2.94	-51.40
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571115	0	33	-1.0	-45.64	294.09	4.26	-41.38
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300007571116	0	33	-1.0	-49.92	291.59	5.16	-44.76
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007571117	0	33	-1.0	-51.20	294.13	4.27	-46.93
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571118	0	33	-1.0	-43.06	286.33	4.20	-38.86
O=C([O-])CCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007571119	0	38	-1.0	-49.20	336.20	3.75	-45.45
CC1=CSC(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)=N1	REAL300007571120	0	34	-1.0	-48.75	321.66	3.66	-45.09
O=C([O-])CCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007571121	0	32	-1.0	-53.59	300.53	0.05	-53.54
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007571122	0	34	-1.0	-49.68	297.18	2.53	-47.15
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571123	0	50	-1.0	-46.50	415.77	7.12	-39.38
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571124	0	35	-1.0	-43.85	313.66	4.16	-39.69
CCC(C)OC1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571125	0	38	-1.0	-46.85	325.46	3.85	-43.00
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007571126	0	39	-1.0	-46.79	352.90	5.54	-41.25
CCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007571127	0	44	-1.0	-46.88	366.88	5.24	-41.64
CCC1=NC(S(=O)(=O)NCCC(=O)[O-])=CN1CC1CC1	REAL300007571128	0	38	-1.0	-54.63	327.45	4.11	-50.52
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007571129	0	33	-1.0	-46.68	298.55	4.65	-42.03
O=C([O-])CCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007571130	0	38	-1.0	-45.98	336.39	4.51	-41.47
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571131	0	28	-1.0	-45.16	277.04	0.80	-44.36
O=C([O-])CCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007571132	0	36	-1.0	-49.94	336.05	6.29	-43.65
O=C([O-])CCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007571133	0	35	-1.0	-51.05	301.52	5.59	-45.46
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007571134	0	45	-1.0	-47.89	390.76	7.09	-40.80
CCC1=CC(S(=O)(=O)NCCC(=O)[O-])=C(C)C=C1OC	REAL300007571135	0	38	-1.0	-47.77	321.29	3.87	-43.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007571136	0	31	-1.0	-44.25	306.64	4.06	-40.19
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007571137	0	41	-1.0	-47.19	345.38	4.44	-42.75
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007571138	0	37	-1.0	-47.66	313.65	4.45	-43.21
O=C([O-])CCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007571139	0	44	-1.0	-47.40	361.03	6.71	-40.69
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571140	0	28	-1.0	-46.84	261.66	0.77	-46.07
CCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007571141	0	47	-1.0	-45.69	388.38	6.02	-39.67
CCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)(C)C	REAL300007571142	0	47	-1.0	-47.11	379.44	5.91	-41.20
CCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1CC	REAL300007571143	0	41	-1.0	-45.89	349.97	4.70	-41.19
COCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007571144	0	36	-1.0	-46.85	340.82	2.35	-44.50
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300007571145	0	31	-1.0	-46.32	296.27	4.09	-42.23
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571146	0	41	-1.0	-46.67	350.97	4.98	-41.69
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300007571147	0	40	-1.0	-46.60	364.27	6.05	-40.55
CC1(C)COC2=C(S(=O)(=O)NCCC(=O)[O-])C=NN2C1	REAL300007571148	0	36	-1.0	-48.31	306.33	0.23	-48.08
O=C([O-])CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007571149	0	31	-1.0	-47.65	302.27	3.09	-44.56
CCCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007571150	0	50	-1.0	-46.71	409.88	6.80	-39.91
COC1=CC(C(C)C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300007571151	0	41	-1.0	-47.95	338.91	4.31	-43.64
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571152	0	35	-1.0	-48.60	309.92	3.59	-45.01
CCOCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007571153	0	48	-1.0	-49.77	400.86	4.66	-45.11
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007571154	0	31	-1.0	-48.79	289.09	2.82	-45.97
O=C([O-])CCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007571155	0	29	-1.0	-51.09	283.40	2.43	-48.66
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C2CCCC2)=N1	REAL300007571156	0	38	-1.0	-48.01	304.79	2.32	-45.69
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007571157	0	31	-1.0	-47.17	289.64	4.27	-42.90
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007571158	0	31	-1.0	-44.45	303.63	3.32	-41.13
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571159	0	43	-1.0	-47.61	349.57	6.19	-41.42
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007571160	0	31	-1.0	-44.33	306.64	4.06	-40.27
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007571161	0	36	-1.0	-45.45	320.07	4.85	-40.60
COC1=C(S(=O)(=O)NCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007571162	0	34	-1.0	-60.01	300.85	3.40	-56.61
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300007571163	0	30	-1.0	-43.88	286.34	2.00	-41.88
O=C([O-])CCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007571164	0	28	-1.0	-43.49	280.56	3.26	-40.23
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007571165	0	31	-1.0	-45.74	297.83	3.23	-42.51
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571166	0	35	-1.0	-45.80	331.62	2.96	-42.84
O=C([O-])CCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007571167	0	25	-1.0	-45.51	254.69	2.58	-42.93
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300007571168	0	39	-1.0	-48.77	333.74	1.31	-47.46
O=C([O-])CCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007571169	0	40	-1.0	-45.62	330.93	4.84	-40.78
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C2=NC=CC=C12	REAL300007571170	0	36	-1.0	-56.55	306.87	4.53	-52.02
O=C([O-])CCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007571171	0	33	-1.0	-47.12	289.04	2.17	-44.95
O=C([O-])CCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007571172	0	28	-1.0	-47.52	294.70	4.19	-43.33
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571173	0	35	-1.0	-48.00	315.10	3.37	-44.63
O=C([O-])CCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007571174	0	38	-1.0	-48.80	321.81	3.14	-45.66
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007571175	0	36	-1.0	-46.62	324.11	5.03	-41.59
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC(C)=C1Br	REAL300007571176	0	31	-1.0	-44.86	293.11	3.93	-40.93
O=C([O-])CCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007571177	0	28	-1.0	-47.52	294.70	4.19	-43.33
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007571178	0	35	-1.0	-47.14	299.22	3.01	-44.13
O=C([O-])CCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007571179	0	29	-1.0	-45.93	288.62	3.98	-41.95
O=C([O-])CCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007571180	0	29	-1.0	-46.54	288.61	3.99	-42.55
CC1=NC(S(=O)(=O)NCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007571181	0	34	-1.0	-47.45	309.87	1.10	-46.35
CC1=NC(S(=O)(=O)[N-]CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007571181	1	33	-2.0	-125.48	309.22	0.77	-124.71
O=C([O-])CCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007571182	0	42	-1.0	-46.30	312.42	5.08	-41.22
O=C([O-])CCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007571183	0	29	-1.0	-54.46	283.40	1.22	-53.24
O=C([O-])CCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007571184	0	35	-1.0	-48.13	318.71	5.09	-43.04
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300007571185	0	47	-1.0	-47.37	365.00	6.36	-41.01
O=C([O-])CCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007571186	0	29	-1.0	-48.05	284.14	2.95	-45.10
O=C([O-])CCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007571187	0	29	-1.0	-50.29	280.91	1.83	-48.46
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007571188	0	34	-1.0	-46.48	314.29	2.67	-43.81
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571189	0	38	-1.0	-50.43	326.45	4.60	-45.83
O=C([O-])CCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007571190	0	36	-1.0	-51.01	325.84	5.10	-45.91
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007571191	0	26	-1.0	-49.41	270.58	1.05	-48.36
CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=NSN=C2C=C1	REAL300007571192	0	29	-1.0	-54.50	273.43	1.57	-52.93
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007571193	0	31	-1.0	-46.60	298.05	4.96	-41.64
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300007571194	0	34	-1.0	-44.05	327.91	4.57	-39.48
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007571195	0	35	-1.0	-46.65	326.34	6.12	-40.53
O=C([O-])CCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007571196	0	24	-1.0	-44.48	262.75	0.16	-44.32
CCC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300007571197	0	31	-1.0	-44.68	294.46	4.05	-40.63
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571198	0	38	-1.0	-45.89	322.18	3.37	-42.52
COCCC1=CC=C(OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571199	0	39	-1.0	-47.72	332.51	2.52	-45.20
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007571200	0	31	-1.0	-49.44	282.77	4.49	-44.95
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007571201	0	31	-1.0	-47.54	300.25	2.02	-45.52
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007571202	0	40	-1.0	-47.92	337.29	2.57	-45.35
O=C([O-])CCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007571203	0	35	-1.0	-45.93	297.65	-0.05	-45.98
O=C([O-])CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007571204	0	30	-1.0	-47.40	288.57	4.42	-42.98
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007571205	0	39	-1.0	-47.14	344.22	5.75	-41.39
O=C([O-])CCNS(=O)(=O)N1CC=C(Br)CC1	REAL300007571206	0	28	-1.0	-44.06	266.87	1.90	-42.16
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCC(=O)[O-]	REAL300007571207	0	33	-1.0	-53.12	293.68	-2.02	-55.14
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300007571208	0	48	-1.0	-46.98	406.90	7.40	-39.58
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(C(F)F)=C1	REAL300007571209	0	32	-1.0	-46.37	287.04	2.82	-43.55
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571210	0	31	-1.0	-44.05	292.65	0.33	-43.72
O=C([O-])CCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007571211	0	32	-1.0	-51.47	301.05	2.81	-48.66
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007571212	0	38	-1.0	-47.79	313.21	4.12	-43.67
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007571213	0	36	-1.0	-56.77	313.35	3.64	-53.13
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007571214	0	36	-1.0	-58.71	313.01	3.46	-55.25
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007571215	0	39	-1.0	-61.98	324.19	3.50	-58.48
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007571216	0	40	-1.0	-64.43	335.89	3.35	-61.08
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007571217	0	39	-1.0	-63.07	329.02	4.01	-59.06
CNC(=O)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007571218	0	33	-1.0	-79.98	300.14	3.27	-76.71
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007571219	0	36	-1.0	-58.71	313.01	3.46	-55.25
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007571220	0	36	-1.0	-56.77	313.35	3.64	-53.13
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007571221	0	36	-1.0	-85.37	304.63	4.37	-81.00
CNC(=O)C1CCCN1S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007571222	0	34	-1.0	-60.27	301.42	1.21	-59.06
CNC(=O)C1CCCN1S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007571223	0	36	-1.0	-60.36	317.58	1.62	-58.74
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007571224	0	33	-1.0	-55.73	305.16	2.61	-53.12
CNC(=O)C1CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007571225	0	33	-1.0	-72.47	290.78	0.35	-72.12
CNC(=O)C1CCCN1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571226	0	41	-1.0	-58.95	330.68	2.58	-56.37
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007571227	0	36	-1.0	-85.37	304.63	4.37	-81.00
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007571228	0	36	-1.0	-76.82	323.49	5.10	-71.72
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007571229	0	33	-1.0	-59.00	298.16	2.00	-57.00
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007571230	0	36	-1.0	-58.05	317.95	2.55	-55.50
CNC(=O)C1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007571231	0	41	-1.0	-52.82	331.87	2.64	-50.18
CNC(=O)C1CCCN1S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007571232	0	39	-1.0	-72.80	339.67	3.77	-69.03
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007571233	0	33	-1.0	-59.00	298.16	2.00	-57.00
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007571234	0	40	-1.0	-57.08	344.39	3.91	-53.17
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300007571235	0	40	-1.0	-51.02	349.42	4.40	-46.62
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007571236	0	33	-1.0	-58.16	306.59	2.65	-55.51
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007571237	0	42	-1.0	-70.87	338.40	4.53	-66.34
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300007571238	0	39	-1.0	-89.78	330.39	4.46	-85.32
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007571239	0	43	-1.0	-60.11	368.05	3.18	-56.93
CNC(=O)C1CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007571240	0	33	-1.0	-60.32	304.65	2.51	-57.81
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007571241	0	39	-1.0	-74.23	342.58	5.73	-68.50
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300007571242	0	39	-1.0	-58.76	311.41	2.65	-56.11
CNC(=O)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007571243	0	39	-1.0	-78.50	322.62	4.94	-73.56
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007571244	0	39	-1.0	-59.26	335.55	4.42	-54.84
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300007571245	0	41	-1.0	-48.71	354.01	4.60	-44.11
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007571246	0	33	-1.0	-57.37	298.39	1.75	-55.62
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007571247	0	39	-1.0	-53.17	335.17	4.24	-48.93
CNC(=O)C1CCCN1S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300007571248	0	36	-1.0	-63.79	309.27	2.76	-61.03
CNC(=O)C1CCCN1S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007571249	0	35	-1.0	-52.87	308.15	1.66	-51.21
CNC(=O)C1CCCN1S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007571250	0	32	-1.0	-83.84	294.27	1.68	-82.16
CNC(=O)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007571251	0	32	-1.0	-83.13	294.04	1.48	-81.65
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007571252	0	35	-1.0	-89.08	301.23	2.93	-86.15
CNC(=O)C1CCCN1S(=O)(=O)CCCCCC(=O)[O-]	REAL300007571253	0	41	-1.0	-65.12	340.29	4.06	-61.06
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007571254	0	35	-1.0	-57.73	308.77	1.69	-56.04
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007571255	0	36	-1.0	-53.20	329.71	3.98	-49.22
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007571256	0	36	-1.0	-53.29	334.28	4.08	-49.21
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300007571257	0	40	-1.0	-68.22	340.29	3.54	-64.68
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300007571258	0	39	-1.0	-55.26	329.11	3.99	-51.27
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007571259	0	41	-1.0	-60.09	337.74	3.75	-56.34
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007571260	0	43	-1.0	-60.11	368.05	3.18	-56.93
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007571261	0	36	-1.0	-53.20	329.71	3.98	-49.22
CNC(=O)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300007571262	0	36	-1.0	-76.12	291.44	3.26	-72.86
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300007571263	0	39	-1.0	-60.99	334.04	4.62	-56.37
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300007571264	0	42	-1.0	-57.77	359.87	4.82	-52.95
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007571265	0	40	-1.0	-64.43	335.89	3.35	-61.08
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007571266	0	39	-1.0	-63.07	329.02	4.01	-59.06
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007571267	0	39	-1.0	-61.98	324.19	3.50	-58.48
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300007571268	0	40	-1.0	-55.84	342.44	3.79	-52.05
CNC(=O)C1CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007571269	0	39	-1.0	-70.97	321.75	3.57	-67.40
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007571270	0	39	-1.0	-53.17	335.17	4.24	-48.93
CNC(=O)C1CCCN1S(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300007571271	0	37	-1.0	-56.69	334.99	2.43	-54.26
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007571272	0	41	-1.0	-57.90	349.83	4.14	-53.76
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007571273	0	39	-1.0	-53.80	343.11	4.28	-49.52
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007571274	0	43	-1.0	-62.95	359.51	5.52	-57.43
CCC1=C(S(=O)(=O)N2CCCC2C(=O)NC)C=C(C(=O)[O-])O1	REAL300007571275	0	39	-1.0	-63.05	332.10	3.20	-59.85
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007571276	0	38	-1.0	-79.23	334.99	5.25	-73.98
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007571277	0	39	-1.0	-57.10	350.89	4.97	-52.13
CNC(=O)C1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007571278	0	38	-1.0	-68.20	334.61	5.29	-62.91
CNC(=O)C1CCCN1S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300007571279	0	38	-1.0	-51.55	324.54	2.17	-49.38
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300007571280	0	40	-1.0	-57.55	336.73	3.49	-54.06
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007571281	0	40	-1.0	-60.91	340.26	3.55	-57.36
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300007571282	0	43	-1.0	-81.28	357.42	4.39	-76.89
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007571283	0	39	-1.0	-59.72	340.62	4.30	-55.42
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007571284	0	39	-1.0	-54.73	351.44	4.47	-50.26
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007571285	0	45	-1.0	-60.92	368.27	5.32	-55.60
CNC(=O)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007571286	0	36	-1.0	-60.92	305.99	2.01	-58.91
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007571287	0	42	-1.0	-58.97	341.57	5.54	-53.43
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300007571288	0	36	-1.0	-61.30	308.86	1.48	-59.82
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007571289	0	36	-1.0	-76.85	328.06	5.20	-71.65
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007571290	0	36	-1.0	-60.04	325.51	3.86	-56.18
CNC(=O)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007571291	0	33	-1.0	-74.53	291.87	2.17	-72.36
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300007571292	0	40	-1.0	-73.36	329.22	2.98	-70.38
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300007571293	0	48	-1.0	-59.24	395.37	4.80	-54.44
CNC(=O)C1CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007571294	0	33	-1.0	-72.47	290.78	0.35	-72.12
CNC(=O)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007571295	0	36	-1.0	-60.92	305.99	2.01	-58.91
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007571296	0	38	-2.0	-143.56	340.11	4.59	-138.97
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300007571297	0	43	-1.0	-54.18	358.00	3.74	-50.44
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007571298	0	35	-1.0	-62.35	310.38	1.72	-60.63
CNC(=O)C1CCCN1S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007571299	0	39	-1.0	-69.23	326.53	4.61	-64.62
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007571300	0	33	-1.0	-59.28	305.81	1.19	-58.09
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007571301	0	42	-1.0	-59.92	343.72	5.41	-54.51
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C(=O)NC	REAL300007571302	0	43	-1.0	-66.47	357.63	4.36	-62.11
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300007571303	0	40	-1.0	-87.07	335.41	3.89	-83.18
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007571304	0	35	-1.0	-60.47	309.06	1.70	-58.77
CNC(=O)C1CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007571305	0	33	-1.0	-52.68	296.74	-0.09	-52.77
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007571306	0	36	-1.0	-62.43	312.15	1.56	-60.87
CNC(=O)C1CCCN1S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007571307	0	42	-1.0	-59.36	358.92	5.73	-53.63
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300007571308	0	36	-1.0	-59.49	322.94	3.53	-55.96
CNC(=O)C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007571309	0	42	-1.0	-89.61	350.13	6.62	-82.99
CNC(=O)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007571310	0	39	-1.0	-55.04	335.76	4.00	-51.04
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007571311	0	39	-1.0	-80.38	327.93	5.07	-75.31
CNC(=O)C1CCCN1S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007571312	0	36	-1.0	-56.80	341.39	4.40	-52.40
CNC(=O)C1CCCN1S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007571313	0	39	-1.0	-68.17	341.32	2.22	-65.95
CNC(=O)C1CCCN1S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007571314	0	39	-1.0	-53.80	335.70	4.40	-49.40
CNC(=O)C1CCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007571315	0	41	-1.0	-69.52	318.22	3.63	-65.89
CNC(=O)C1CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007571316	0	33	-1.0	-52.68	296.74	-0.09	-52.77
CNC(=O)C1CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007571317	0	33	-1.0	-72.47	290.78	0.35	-72.12
CNC(=O)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007571318	0	33	-1.0	-54.39	306.63	3.69	-50.70
CNC(=O)C1CCCN1S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300007571319	0	38	-1.0	-57.05	327.66	1.89	-55.16
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007571320	0	39	-1.0	-80.38	327.93	5.07	-75.31
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)NC)C=C1C(=O)[O-]	REAL300007571321	0	43	-1.0	-64.62	362.14	4.44	-60.18
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007571322	0	43	-1.0	-56.35	358.45	5.36	-50.99
CNC(=O)C1CCCN1S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007571323	0	35	-1.0	-75.84	297.48	2.66	-73.18
CNC(=O)C1CCCN1S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007571324	0	41	-1.0	-61.91	354.76	3.86	-58.05
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1	REAL300007571325	0	36	-1.0	-54.24	296.69	7.58	-46.66
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC(F)=C1	REAL300007571326	0	36	-1.0	-51.20	307.23	7.97	-43.23
CC(=O)C1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571327	0	41	-1.0	-58.79	343.57	8.39	-50.40
CCCCN(C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571328	0	43	-1.0	-50.85	330.91	6.99	-43.86
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CS1	REAL300007571329	0	33	-1.0	-53.03	290.77	6.86	-46.17
CCC(C)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571330	0	48	-1.0	-56.19	379.31	10.46	-45.73
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300007571331	0	36	-1.0	-52.68	311.25	7.37	-45.31
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007571332	0	33	-1.0	-48.08	307.82	7.47	-40.61
COC1=CC=C(C)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571333	0	43	-1.0	-58.39	346.45	8.10	-50.29
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCOCC1	REAL300007571334	0	39	-1.0	-49.55	305.14	4.25	-45.30
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571335	0	42	-1.0	-61.15	360.68	5.37	-55.78
COC1=CC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1OC	REAL300007571336	0	47	-1.0	-53.78	368.40	7.39	-46.39
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571337	0	39	-1.0	-45.96	327.10	8.76	-37.20
CN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571338	0	36	-1.0	-50.04	303.16	5.47	-44.57
CCN(CC)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571339	0	40	-1.0	-50.08	307.88	6.32	-43.76
CN(C1CCCCC1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571340	0	47	-1.0	-52.73	349.16	7.92	-44.81
CC1=NN(C)C(C)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571341	0	42	-1.0	-55.53	330.17	5.98	-49.55
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007571342	0	52	-1.0	-55.77	402.50	11.68	-44.09
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007571343	0	42	-1.0	-55.60	345.30	7.07	-48.53
CCC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571344	0	42	-1.0	-55.93	342.87	9.28	-46.65
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007571345	0	36	-1.0	-51.70	306.89	7.92	-43.78
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007571346	0	36	-1.0	-51.39	322.13	8.52	-42.87
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571347	0	41	-1.0	-51.92	319.28	8.96	-42.96
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007571348	0	42	-1.0	-49.78	363.22	9.78	-40.00
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571349	0	46	-1.0	-58.92	384.42	4.25	-54.67
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571350	0	47	-1.0	-58.43	381.61	9.63	-48.80
CC1=CC(F)=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571351	0	39	-1.0	-51.64	328.63	8.63	-43.01
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1CC1	REAL300007571352	0	39	-1.0	-51.92	316.88	7.77	-44.15
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007571353	0	42	-1.0	-54.52	347.14	8.15	-46.37
COCC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571354	0	43	-1.0	-57.03	355.70	7.60	-49.43
CCOC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571355	0	42	-1.0	-52.77	348.06	5.36	-47.41
CS(=O)(=O)CCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571356	0	41	-1.0	-63.21	350.13	3.74	-59.47
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1C	REAL300007571357	0	46	-1.0	-51.13	355.07	8.13	-43.00
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007571358	0	41	-1.0	-55.56	341.74	8.28	-47.28
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=NOC=C1	REAL300007571359	0	35	-1.0	-52.34	299.97	5.76	-46.58
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=NN1C	REAL300007571360	0	39	-1.0	-55.32	320.56	5.48	-49.84
CN(C1CCOCC1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571361	0	45	-1.0	-51.69	342.53	5.69	-46.00
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CC2CCC1C2	REAL300007571362	0	42	-1.0	-56.25	326.52	7.35	-48.90
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007571363	0	45	-1.0	-58.93	367.88	8.47	-50.46
CCN1N=C(C)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1C	REAL300007571364	0	45	-1.0	-52.96	349.11	6.80	-46.16
CC(C)N1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571365	0	42	-1.0	-46.84	340.46	6.43	-40.41
CC(C)CN1C=NC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571366	0	45	-1.0	-66.24	366.43	9.45	-56.79
CC(C)N1C=NC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571367	0	42	-1.0	-66.23	347.36	8.59	-57.64
CC(C)C1=NC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CN1	REAL300007571368	0	42	-1.0	-55.85	346.95	6.11	-49.74
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571369	0	48	-1.0	-53.29	349.86	10.19	-43.10
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571370	0	44	-1.0	-55.89	366.33	7.14	-48.75
CC1=C(F)C=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571371	0	39	-1.0	-45.15	318.16	8.20	-36.95
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571372	0	51	-1.0	-45.09	390.69	8.41	-36.68
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007571373	0	39	-1.0	-54.25	332.16	8.71	-45.54
COCC1=CC=C(OC)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571374	0	47	-1.0	-59.75	380.10	7.14	-52.61
COCCC(C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571375	0	42	-1.0	-51.78	331.24	6.08	-45.70
COC1=CC=C(F)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571376	0	40	-1.0	-58.14	331.43	7.49	-50.65
CCC(C)CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571377	0	41	-1.0	-51.97	320.54	7.64	-44.33
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007571378	0	54	-1.0	-52.32	386.31	9.34	-42.98
CC1=NC2=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=CC=C2C=C1	REAL300007571379	0	44	-1.0	-64.41	362.37	9.03	-55.38
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007571380	0	44	-1.0	-67.30	362.62	9.83	-57.47
CCN(CC1CC1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571381	0	44	-1.0	-53.79	345.39	8.21	-45.58
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007571382	0	47	-1.0	-53.86	372.95	5.89	-47.97
CCCN1C=NC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571383	0	42	-1.0	-64.64	347.43	9.17	-55.47
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCOCC1CC1	REAL300007571384	0	43	-1.0	-50.96	352.28	7.08	-43.88
CC(COC1CCCC1)CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571385	0	52	-1.0	-53.50	400.74	9.09	-44.41
CCOCC(C)CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571386	0	45	-1.0	-52.61	357.10	7.06	-45.55
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007571387	0	44	-1.0	-52.55	353.84	5.09	-47.46
COC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007571388	0	42	-1.0	-49.65	356.36	8.65	-41.00
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571389	0	42	-1.0	-45.12	349.12	9.25	-35.87
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571390	0	42	-1.0	-49.64	349.44	9.26	-40.38
CC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007571391	0	42	-1.0	-51.09	355.25	9.41	-41.68
CC(C)C1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571392	0	45	-1.0	-50.03	349.72	9.32	-40.71
CCOC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571393	0	43	-1.0	-52.73	348.25	7.82	-44.91
COCCN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571394	0	43	-1.0	-55.77	358.23	5.35	-50.42
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007571395	0	43	-1.0	-56.63	364.99	8.42	-48.21
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007571396	0	44	-1.0	-50.57	374.71	9.95	-40.62
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007571397	0	41	-1.0	-60.26	341.37	8.22	-52.04
CC1CCN(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300007571398	0	41	-1.0	-53.94	323.51	6.72	-47.22
COCC1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571399	0	43	-1.0	-48.03	341.78	7.48	-40.55
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007571400	0	39	-1.0	-48.87	342.62	6.86	-42.01
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007571401	0	39	-1.0	-55.75	337.55	6.59	-49.16
CC1(C)CC2=CC(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=CC=C2O1	REAL300007571402	0	47	-1.0	-56.80	378.29	9.16	-47.64
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007571403	0	39	-1.0	-48.53	339.27	6.73	-41.80
CSC1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571404	0	40	-1.0	-56.61	327.62	8.30	-48.31
CCC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571405	0	42	-1.0	-54.10	339.80	9.02	-45.08
CCC1=CC=C(CS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571406	0	45	-1.0	-55.45	367.79	9.85	-45.60
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1=CC=CS1	REAL300007571407	0	39	-1.0	-52.91	335.39	8.32	-44.59
CC1=CC=C(CS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1C	REAL300007571408	0	45	-1.0	-55.64	363.41	9.69	-45.95
CC(C)CN(C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571409	0	43	-1.0	-51.80	334.66	7.22	-44.58
CN(C1CCCC1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571410	0	44	-1.0	-52.70	337.78	7.73	-44.97
CCCN(C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571411	0	40	-1.0	-50.67	309.45	6.22	-44.45
CC1(C)CN(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CCO1	REAL300007571412	0	45	-1.0	-51.06	345.15	5.85	-45.21
CC1=NOC(CS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571413	0	38	-1.0	-49.32	321.83	6.56	-42.76
CC(C)N1N=CC2=CC(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=CC=C21	REAL300007571414	0	48	-1.0	-56.93	391.52	9.44	-47.49
CCS(=O)(=O)NCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571415	0	43	-1.0	-52.53	365.01	2.44	-50.09
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007571416	0	42	-1.0	-54.24	351.35	9.64	-44.60
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1CCCO1	REAL300007571417	0	43	-1.0	-52.25	342.98	6.53	-45.72
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007571418	0	42	-1.0	-56.40	360.96	9.63	-46.77
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007571419	0	47	-1.0	-54.02	381.05	9.07	-44.95
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1N(C)C	REAL300007571420	0	47	-1.0	-57.87	375.44	8.56	-49.31
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007571421	0	41	-1.0	-58.54	335.93	4.38	-54.16
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCOCC1CCCC1	REAL300007571422	0	49	-1.0	-51.06	385.97	8.24	-42.82
COC1=CC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1Cl	REAL300007571423	0	43	-1.0	-52.41	355.20	8.02	-44.39
CSC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1Cl	REAL300007571424	0	40	-1.0	-57.12	356.03	9.37	-47.75
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571425	0	48	-1.0	-54.58	369.04	7.55	-47.03
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007571426	0	44	-1.0	-55.20	372.01	6.47	-48.73
CCC1=NOC2=NC=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=C12	REAL300007571427	0	43	-1.0	-46.21	360.32	5.51	-40.70
CN1N=CC2=CC(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=CN=C21	REAL300007571428	0	41	-1.0	-50.57	343.53	6.92	-43.65
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007571429	0	43	-1.0	-57.42	344.43	7.82	-49.60
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007571430	0	45	-1.0	-59.58	362.79	11.31	-48.27
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1F	REAL300007571431	0	43	-1.0	-46.63	344.33	7.51	-39.12
CC1(CS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CCCCC1	REAL300007571432	0	48	-1.0	-52.57	351.06	9.17	-43.40
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007571433	0	45	-1.0	-56.27	360.52	9.21	-47.06
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007571434	0	44	-1.0	-52.95	366.17	8.81	-44.14
CN1N=NC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571435	0	35	-1.0	-47.96	299.10	4.04	-43.92
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571436	0	43	-1.0	-54.68	371.03	8.05	-46.63
CC1=CC=C(CS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(F)=C1	REAL300007571437	0	42	-1.0	-61.12	351.63	9.11	-52.01
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571438	0	48	0.0	-79.96	379.00	9.78	-70.18
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007571439	0	36	-1.0	-45.05	330.02	7.76	-37.29
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007571440	0	49	-1.0	-53.15	389.97	11.07	-42.08
CC(C)(C)C1=CC(CS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=NO1	REAL300007571441	0	47	-1.0	-61.21	383.02	8.42	-52.79
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1CCC1	REAL300007571442	0	42	-1.0	-51.56	334.80	8.33	-43.23
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007571443	0	45	-1.0	-52.85	362.42	4.91	-47.94
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007571444	0	39	-1.0	-51.19	334.91	8.31	-42.88
CC1=C(CCS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])SC=N1	REAL300007571445	0	41	-1.0	-51.70	349.13	6.98	-44.72
COCC1(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300007571446	0	40	-1.0	-58.60	319.37	6.20	-52.40
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007571447	0	46	-1.0	-54.01	349.96	9.17	-44.84
COC1=CC=C2C=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])CCC2=C1	REAL300007571448	0	48	-1.0	-55.04	382.94	9.33	-45.71
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1CCOC1	REAL300007571449	0	43	-1.0	-51.24	340.44	6.20	-45.04
CC(C)(CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])S(C)(=O)=O	REAL300007571450	0	47	-1.0	-70.87	374.48	4.87	-66.00
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007571451	0	45	-1.0	-54.02	353.46	8.88	-45.14
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007571452	0	43	-1.0	-50.96	349.97	9.77	-41.19
CN1C=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300007571453	0	36	-1.0	-57.55	308.12	5.23	-52.32
CCC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007571454	0	44	-1.0	-47.45	362.27	9.51	-37.94
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007571455	0	36	-1.0	-51.87	317.36	8.39	-43.48
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007571456	0	36	-1.0	-51.77	321.93	8.50	-43.27
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007571457	0	38	-1.0	-48.85	328.19	8.51	-40.34
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007571458	0	42	-1.0	-57.99	345.74	10.14	-47.85
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007571459	0	38	-1.0	-45.11	325.13	8.26	-36.85
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571460	0	41	-1.0	-54.06	338.60	8.92	-45.14
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571461	0	40	-1.0	-55.84	329.44	7.13	-48.71
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007571462	0	38	-1.0	-55.84	316.05	8.62	-47.22
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571463	0	39	-1.0	-54.63	318.16	8.27	-46.36
CCOC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571464	0	43	-1.0	-54.65	351.98	8.10	-46.55
CC1=CC(C)=C(C)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1C	REAL300007571465	0	48	-1.0	-52.00	354.96	9.76	-42.24
CC1=CC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1	REAL300007571466	0	45	-1.0	-49.73	339.03	9.32	-40.41
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571467	0	51	-1.0	-51.64	386.51	10.57	-41.07
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007571468	0	39	-1.0	-47.47	335.97	8.61	-38.86
CC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571469	0	39	-1.0	-54.46	318.31	8.25	-46.21
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C=CC1=CC=CC=C1	REAL300007571470	0	40	-1.0	-56.04	332.28	8.90	-47.14
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007571471	0	39	-1.0	-54.85	323.10	8.64	-46.21
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007571472	0	36	-1.0	-51.47	317.56	8.42	-43.05
CC(=O)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571473	0	41	-1.0	-51.83	341.96	8.29	-43.54
CC1=CC=C(C)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571474	0	42	-1.0	-50.76	331.79	8.92	-41.84
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1C	REAL300007571475	0	42	-1.0	-57.94	339.24	9.10	-48.84
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1	REAL300007571476	0	42	-1.0	-50.82	331.79	8.92	-41.90
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007571477	0	42	-1.0	-49.22	356.33	8.63	-40.59
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571478	0	48	-1.0	-55.72	376.17	10.17	-45.55
CC(C)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571479	0	45	-1.0	-55.69	360.20	9.77	-45.92
CCCC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571480	0	45	-1.0	-55.75	364.36	10.06	-45.69
COC1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571481	0	40	-1.0	-57.83	325.10	7.53	-50.30
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=CC=CC=C1	REAL300007571482	0	39	-1.0	-54.27	324.99	8.48	-45.79
CC1=C(C)C(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1C	REAL300007571483	0	51	-1.0	-52.98	373.95	10.76	-42.22
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007571484	0	45	-1.0	-58.90	362.08	7.76	-51.14
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007571485	0	41	-1.0	-61.76	343.89	8.88	-52.88
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007571486	0	39	-1.0	-48.59	335.49	8.59	-40.00
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007571487	0	46	-1.0	-55.77	361.74	10.27	-45.50
COC1=CC=C(OC)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571488	0	44	-1.0	-61.62	354.43	6.76	-54.86
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1OC	REAL300007571489	0	44	-1.0	-55.00	359.55	7.10	-47.90
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007571490	0	43	-1.0	-56.09	344.70	9.71	-46.38
CC1=NOC(C)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571491	0	38	-1.0	-49.13	307.43	6.02	-43.11
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007571492	0	44	-1.0	-55.61	353.51	10.14	-45.47
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007571493	0	41	-1.0	-55.79	336.81	7.75	-48.04
CC(C)CCC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571494	0	51	-1.0	-55.48	403.43	11.35	-44.13
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571495	0	41	-1.0	-57.81	354.21	2.80	-55.01
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1C	REAL300007571496	0	44	-1.0	-60.79	356.56	9.41	-51.38
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCCCCC1	REAL300007571497	0	44	-1.0	-52.95	330.04	7.74	-45.21
CC1=CC2=CC=CC(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=C2N=C1	REAL300007571498	0	44	-1.0	-60.98	358.24	9.09	-51.89
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007571499	0	42	-1.0	-61.57	345.30	8.26	-53.31
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571500	0	40	-1.0	-52.45	341.76	7.95	-44.50
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571501	0	41	-1.0	-64.73	355.07	2.86	-61.87
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCCCC1	REAL300007571502	0	41	-1.0	-52.75	316.34	6.96	-45.79
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCCC1	REAL300007571503	0	38	-1.0	-53.49	301.03	5.92	-47.57
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007571504	0	45	-1.0	-50.71	348.36	8.78	-41.93
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=CC=CN=C12	REAL300007571505	0	44	-1.0	-57.16	351.31	8.60	-48.56
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1C	REAL300007571506	0	44	-1.0	-66.86	354.09	10.33	-56.53
CC1CCN(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300007571507	0	44	-1.0	-51.74	336.41	7.30	-44.44
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571508	0	42	-1.0	-67.17	361.53	5.43	-61.74
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007571509	0	46	-1.0	-53.56	369.73	11.15	-42.41
CC1CC(C)CN(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300007571510	0	47	-1.0	-51.77	356.02	7.88	-43.89
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007571511	0	42	-1.0	-54.79	336.86	9.66	-45.13
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007571512	0	46	-1.0	-57.29	374.80	11.28	-46.01
CC1=CC=C(F)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571513	0	39	-1.0	-51.00	316.77	8.32	-42.68
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007571514	0	37	-1.0	-52.67	323.84	5.95	-46.72
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571515	0	40	-1.0	-56.66	341.76	7.93	-48.73
COC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571516	0	40	-1.0	-55.44	330.33	7.20	-48.24
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571517	0	51	-1.0	-55.64	390.40	10.63	-45.01
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1Cl	REAL300007571518	0	39	-1.0	-55.68	334.69	8.93	-46.75
CC(C)OC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571519	0	46	-1.0	-54.85	370.59	8.60	-46.25
CCC1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571520	0	42	-1.0	-51.13	326.40	9.02	-42.11
CC1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571521	0	39	-1.0	-49.83	310.38	8.25	-41.58
CC1=NC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CN1C	REAL300007571522	0	39	-1.0	-56.96	323.04	6.71	-50.25
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007571523	0	37	-1.0	-48.94	315.29	6.39	-42.55
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007571524	0	41	-1.0	-61.99	336.95	8.52	-53.47
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571525	0	42	-1.0	-48.66	353.19	8.16	-40.50
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1F	REAL300007571526	0	40	-1.0	-59.06	336.55	7.27	-51.79
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1F	REAL300007571527	0	39	-1.0	-57.42	325.95	8.52	-48.90
CN1C=NC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571528	0	36	-1.0	-65.63	304.13	7.51	-58.12
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CN=C1	REAL300007571529	0	35	-1.0	-50.85	294.06	5.99	-44.86
CC1CCCCN1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571530	0	44	-1.0	-52.47	323.84	7.19	-45.28
CC(C)N(C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571531	0	40	-1.0	-52.11	310.55	6.18	-45.93
CCCN(CCC)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571532	0	46	-1.0	-51.08	351.89	7.88	-43.20
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=CC=CC=C12	REAL300007571533	0	46	-1.0	-54.90	365.17	9.01	-45.89
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571534	0	41	-1.0	-43.86	338.60	8.91	-34.95
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571535	0	41	-1.0	-42.03	332.79	8.69	-33.34
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571536	0	44	-1.0	-54.76	355.81	9.69	-45.07
CC(C)CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571537	0	48	-1.0	-56.38	381.83	10.56	-45.82
COCCC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571538	0	46	-1.0	-55.34	376.54	8.35	-46.99
COCCN(CCOC)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571539	0	48	-1.0	-53.01	373.94	5.21	-47.80
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571540	0	39	-1.0	-49.22	327.10	8.76	-40.46
COC1=C(C)C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1C	REAL300007571541	0	46	-1.0	-54.67	370.53	8.62	-46.05
CC(C)COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571542	0	49	-1.0	-54.28	393.58	9.59	-44.69
CCCOC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571543	0	46	-1.0	-54.21	373.48	8.90	-45.31
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1Cl	REAL300007571544	0	40	-1.0	-57.46	346.35	7.76	-49.70
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1C	REAL300007571545	0	43	-1.0	-56.87	350.38	7.94	-48.93
CC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=C1OC(C)C	REAL300007571546	0	49	-1.0	-55.15	390.71	9.36	-45.79
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1	REAL300007571547	0	43	-1.0	-49.52	339.83	7.54	-41.98
COCCOC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571548	0	47	-1.0	-56.19	385.61	7.37	-48.82
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007571549	0	39	-1.0	-54.31	330.21	8.45	-45.86
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1C	REAL300007571550	0	44	-1.0	-48.67	343.88	9.94	-38.73
CC1=NC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300007571551	0	38	-1.0	-52.83	327.14	6.00	-46.83
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007571552	0	39	-1.0	-50.94	334.75	8.87	-42.07
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1CCCC1	REAL300007571553	0	42	-1.0	-52.92	327.17	8.18	-44.74
COC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=C1F	REAL300007571554	0	40	-1.0	-51.29	336.55	7.27	-44.02
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CSC=C1	REAL300007571555	0	33	-1.0	-53.60	290.09	6.75	-46.85
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007571556	0	46	-1.0	-54.43	371.10	11.00	-43.43
CNC(=O)C1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CN1C	REAL300007571557	0	44	-1.0	-50.12	359.12	5.00	-45.12
COC1=CC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1	REAL300007571558	0	46	-1.0	-48.87	354.02	8.36	-40.51
COC1=CC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1C	REAL300007571559	0	46	-1.0	-51.53	359.88	8.29	-43.24
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007571560	0	44	-1.0	-52.51	342.59	8.76	-43.75
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007571561	0	41	-1.0	-51.97	332.08	7.87	-44.10
CCN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007571562	0	41	-1.0	-45.12	344.87	7.99	-37.13
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571563	0	44	-1.0	-58.49	363.88	9.18	-49.31
CN(C1CC1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571564	0	38	-1.0	-48.07	302.47	6.23	-41.84
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007571565	0	46	-1.0	-58.47	384.51	9.34	-49.13
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007571566	0	39	-1.0	-79.01	329.20	6.89	-72.12
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571567	0	58	-1.0	-49.94	426.17	10.31	-39.63
CC1=CC=CC(CS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571568	0	42	-1.0	-55.15	346.40	9.15	-46.00
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007571569	0	39	-1.0	-55.69	331.40	8.55	-47.14
CC1=CC=CC=C1CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571570	0	42	-1.0	-52.36	336.97	8.85	-43.51
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571571	0	46	-1.0	-53.10	369.90	8.52	-44.58
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007571572	0	41	-1.0	-72.26	349.11	8.08	-64.18
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007571573	0	43	-1.0	-53.07	359.21	8.91	-44.16
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007571574	0	46	-1.0	-55.83	350.82	10.04	-45.79
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007571575	0	41	-1.0	-53.32	335.23	7.11	-46.21
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007571576	0	44	-1.0	-63.07	361.78	9.27	-53.80
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007571577	0	41	-1.0	-48.74	344.94	7.76	-40.98
CCOC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1	REAL300007571578	0	46	-1.0	-49.55	361.69	8.48	-41.07
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007571579	0	40	-1.0	-56.14	334.86	7.79	-48.35
CSC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571580	0	40	-1.0	-55.66	340.14	8.85	-46.81
CCCCCCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571581	0	47	-1.0	-50.93	372.57	9.36	-41.57
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007571582	0	42	-1.0	-55.49	363.72	9.48	-46.01
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571583	0	47	-1.0	-54.48	371.12	9.46	-45.02
CCN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])N=C1C	REAL300007571584	0	42	-1.0	-57.12	344.25	7.58	-49.54
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007571585	0	42	-1.0	-56.68	339.70	7.26	-49.42
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007571586	0	41	-1.0	-54.93	329.48	7.73	-47.20
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1CCCO1	REAL300007571587	0	40	-1.0	-54.57	320.72	6.09	-48.48
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1CCCCO1	REAL300007571588	0	43	-1.0	-53.18	338.70	6.92	-46.26
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1C(F)(F)F	REAL300007571589	0	42	-1.0	-57.77	355.26	9.43	-48.34
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007571590	0	45	-1.0	-53.55	365.58	9.51	-44.04
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=C12	REAL300007571591	0	44	-1.0	-56.40	367.14	7.62	-48.78
COCC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571592	0	43	-1.0	-54.61	351.97	7.31	-47.30
CC1(C)CC2=CC=CC(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=C2O1	REAL300007571593	0	47	-1.0	-58.91	370.98	8.68	-50.23
CCN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571594	0	39	-1.0	-50.04	324.73	6.36	-43.68
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007571595	0	39	-1.0	-53.71	338.48	8.87	-44.84
CC(C1CC1)N(C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571596	0	44	-1.0	-53.60	342.00	7.88	-45.72
CN1N=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571597	0	36	-1.0	-50.37	303.44	5.30	-45.07
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1CCOC1	REAL300007571598	0	40	-1.0	-51.56	317.62	5.54	-46.02
CC1CC2=CC(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=CC=C2O1	REAL300007571599	0	44	-1.0	-54.36	355.90	8.40	-45.96
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571600	0	48	-1.0	-48.84	347.62	9.60	-39.24
CCCCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571601	0	41	-1.0	-50.90	329.57	7.80	-43.10
COCCN(C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571602	0	41	-1.0	-50.70	321.77	5.07	-45.63
CN(CC1CC1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571603	0	41	-1.0	-51.98	328.51	7.40	-44.58
CC1=NC(C2=CC=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=C2)=CO1	REAL300007571604	0	45	-1.0	-54.32	373.08	6.64	-47.68
CN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007571605	0	39	-1.0	-43.77	335.06	6.16	-37.61
CC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C(C)O1	REAL300007571606	0	39	-1.0	-52.30	322.45	6.91	-45.39
CC1=CSC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571607	0	36	-1.0	-47.89	308.85	7.16	-40.73
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007571608	0	39	-1.0	-54.77	328.49	8.24	-46.53
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007571609	0	39	-1.0	-58.11	326.86	6.56	-51.55
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571610	0	39	-1.0	-50.61	326.75	4.57	-46.04
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CO1	REAL300007571611	0	33	-1.0	-56.42	283.99	6.36	-50.06
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN=C2CCCN12	REAL300007571612	0	40	-1.0	-57.25	331.39	7.15	-50.10
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=COC=C1	REAL300007571613	0	33	-1.0	-51.42	278.99	5.40	-46.02
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])SC=C1	REAL300007571614	0	36	-1.0	-53.05	305.36	7.11	-45.94
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007571615	0	44	-1.0	-56.22	354.53	8.53	-47.69
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CNC=N1	REAL300007571616	0	33	-1.0	-56.77	285.47	5.21	-51.56
CC1=CC=C(N2C=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=N2)C=C1	REAL300007571617	0	46	-1.0	-50.96	377.90	9.15	-41.81
CC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007571618	0	41	-1.0	-51.08	346.96	9.18	-41.90
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCCF	REAL300007571619	0	35	-1.0	-50.44	293.17	6.39	-44.05
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCCCF	REAL300007571620	0	38	-1.0	-50.47	314.66	7.17	-43.30
CC1=NN(C)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571621	0	39	-1.0	-47.96	322.98	5.56	-42.40
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])O1	REAL300007571622	0	36	-1.0	-57.98	305.91	7.18	-50.80
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])N(C)N=C1	REAL300007571623	0	39	-1.0	-43.71	310.38	5.12	-38.59
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007571624	0	38	-1.0	-55.72	331.01	7.23	-48.49
CN(C)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571625	0	44	-1.0	-58.16	352.45	8.26	-49.90
CC1=CC2=CC=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=C2C=C1	REAL300007571626	0	45	-1.0	-58.59	368.06	10.82	-47.77
COC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])SC=C1	REAL300007571627	0	37	-1.0	-51.52	315.72	6.39	-45.13
C=CCCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571628	0	39	-1.0	-51.04	320.88	7.58	-43.46
CN(C)C1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571629	0	44	-1.0	-55.31	348.40	7.99	-47.32
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1CCC1	REAL300007571630	0	39	-1.0	-52.90	312.00	7.51	-45.39
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007571631	0	41	-1.0	-58.28	335.27	7.58	-50.70
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007571632	0	41	-1.0	-53.00	348.04	7.75	-45.25
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007571633	0	41	-1.0	-54.58	335.20	7.66	-46.92
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007571634	0	42	-1.0	-50.27	363.22	9.79	-40.48
CN1CCCC2=CC=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=C21	REAL300007571635	0	48	-1.0	-60.65	376.37	8.54	-52.11
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007571636	0	38	-1.0	-51.27	334.56	7.04	-44.23
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571637	0	44	-1.0	-63.88	350.00	8.27	-55.61
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571638	0	44	-1.0	-43.57	353.60	9.27	-34.30
CC1=CC=C(C)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007571639	0	44	-1.0	-65.17	348.04	10.67	-54.50
CC1=CC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007571640	0	44	-1.0	-55.52	354.46	9.39	-46.13
COC1=CC=C(CCS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571641	0	46	-1.0	-52.39	375.99	8.56	-43.83
COC1=CN=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571642	0	39	-1.0	-53.44	323.61	5.22	-48.22
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300007571643	0	45	-1.0	-52.63	370.43	9.23	-43.40
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007571644	0	43	-1.0	-54.64	345.91	9.69	-44.95
COC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC(OC)=C1	REAL300007571645	0	44	-1.0	-59.14	358.69	6.50	-52.64
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1CCCCC1	REAL300007571646	0	48	-1.0	-51.64	367.27	9.44	-42.20
CC1=CC2=C(C=C1S(=O)(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])OCO2	REAL300007571647	0	42	-1.0	-52.52	338.91	6.84	-45.68
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007571648	0	39	-1.0	-57.62	327.60	8.06	-49.56
COC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=C1Cl	REAL300007571649	0	40	-1.0	-51.63	346.36	7.76	-43.87
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1CCCC1	REAL300007571650	0	45	-1.0	-51.77	350.78	8.86	-42.91
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007571651	0	44	-1.0	-60.62	343.82	9.54	-51.08
CCC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1CC	REAL300007571652	0	48	-1.0	-57.09	377.83	10.47	-46.62
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571653	0	44	-1.0	-42.76	345.83	9.31	-33.45
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571654	0	46	-1.0	-51.91	356.03	9.20	-42.71
CC1=C(C)SC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571655	0	39	-1.0	-49.69	328.87	7.91	-41.78
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571656	0	37	-1.0	-46.02	318.39	5.31	-40.71
CC1=NC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300007571657	0	35	-1.0	-43.81	302.69	5.17	-38.64
CCC1=NC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300007571658	0	38	-1.0	-43.98	324.17	5.92	-38.06
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(N)=NO1	REAL300007571659	0	37	-1.0	-49.48	301.72	5.06	-44.42
CN(C)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571660	0	43	-1.0	-58.07	348.71	7.46	-50.61
CC1=CC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300007571661	0	39	-1.0	-48.21	325.10	7.92	-40.29
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007571662	0	42	-1.0	-53.71	348.17	8.59	-45.12
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007571663	0	39	-1.0	-53.23	325.67	6.28	-46.95
CC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC(C)=C1F	REAL300007571664	0	42	-1.0	-51.36	346.28	9.15	-42.21
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007571665	0	43	-1.0	-55.30	355.47	7.60	-47.70
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007571666	0	38	-1.0	-57.83	329.87	7.16	-50.67
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571667	0	38	-1.0	-56.47	315.67	6.55	-49.92
COC(CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CC1	REAL300007571668	0	43	-1.0	-51.41	343.77	6.74	-44.67
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007571669	0	39	-1.0	-52.55	341.80	9.10	-43.45
CC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=C1Cl	REAL300007571670	0	39	-1.0	-52.41	336.29	9.00	-43.41
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007571671	0	42	-1.0	-70.62	348.92	8.89	-61.73
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007571672	0	44	-1.0	-59.27	348.54	8.91	-50.36
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007571673	0	45	-1.0	-55.64	344.13	7.53	-48.11
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007571674	0	39	-1.0	-49.86	337.65	8.78	-41.08
CCC1(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300007571675	0	39	-1.0	-42.91	287.46	7.08	-35.83
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571676	0	49	-1.0	-53.17	388.20	9.39	-43.78
COC(CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCCC1	REAL300007571677	0	49	-1.0	-52.53	374.52	7.93	-44.60
COC(CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCCCC1	REAL300007571678	0	52	-1.0	-52.84	392.92	8.87	-43.97
CCOC(CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CC1	REAL300007571679	0	46	-1.0	-51.42	368.10	7.63	-43.79
CCC1=NC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CN1CC1CC1	REAL300007571680	0	49	-1.0	-60.00	397.25	9.45	-50.55
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007571681	0	39	-1.0	-53.93	337.37	7.01	-46.92
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007571682	0	44	-1.0	-43.98	358.34	9.71	-34.27
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571683	0	43	-1.0	-45.37	335.02	6.59	-38.78
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571684	0	39	-1.0	-45.11	335.66	5.86	-39.25
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007571685	0	46	-1.0	-61.59	361.14	10.79	-50.80
CCC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C(C)C=C1OC	REAL300007571686	0	49	-1.0	-51.94	381.53	9.03	-42.91
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300007571687	0	38	-1.0	-60.03	324.47	6.98	-53.05
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007571688	0	45	-1.0	-56.09	353.00	10.80	-45.29
CC(C)OC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571689	0	45	-1.0	-52.88	368.19	6.29	-46.59
COC1=C(F)C=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571690	0	40	-1.0	-49.65	329.08	7.71	-41.94
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1F	REAL300007571691	0	48	-1.0	-51.23	379.05	10.15	-41.08
CN1N=C2CCCCC2=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571692	0	46	-1.0	-53.27	358.24	7.93	-45.34
CN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007571693	0	48	-1.0	-50.74	369.92	7.54	-43.20
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007571694	0	46	-1.0	-47.58	362.38	7.67	-39.91
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571695	0	39	-1.0	-54.86	330.66	6.62	-48.24
COC1=CC=C(F)C=C1CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571696	0	43	-1.0	-53.63	355.47	8.25	-45.38
C=CCCC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571697	0	46	-1.0	-55.82	377.17	10.63	-45.19
CCC1=NN(C)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571698	0	42	-1.0	-48.72	342.83	6.35	-42.37
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007571699	0	40	-1.0	-53.06	351.33	9.44	-43.62
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571700	0	42	-1.0	-45.00	341.27	9.56	-35.44
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCCC1CC1	REAL300007571701	0	42	-1.0	-51.00	339.69	8.60	-42.40
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007571702	0	40	-1.0	-54.04	346.52	9.33	-44.71
CCCC1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571703	0	45	-1.0	-51.21	347.91	9.79	-41.42
COC1=NC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571704	0	39	-1.0	-53.61	322.87	4.79	-48.82
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007571705	0	41	-1.0	-55.58	331.32	7.82	-47.76
CC1=NC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])N1C	REAL300007571706	0	39	-1.0	-59.39	317.28	6.73	-52.66
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=N1	REAL300007571707	0	35	-1.0	-61.13	295.79	6.67	-54.46
CC1=CSC(C)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571708	0	39	-1.0	-48.97	314.75	8.12	-40.85
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007571709	0	43	-1.0	-55.23	345.70	7.03	-48.20
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007571710	0	43	-1.0	-52.45	351.73	7.50	-44.95
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007571711	0	46	-1.0	-50.99	371.37	8.07	-42.92
CC1(C)COC2=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=NN2C1	REAL300007571712	0	47	-1.0	-58.12	373.97	5.49	-52.63
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007571713	0	43	-1.0	-58.64	338.52	7.50	-51.14
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571714	0	46	-1.0	-57.89	369.91	8.94	-48.95
CC1CC2=CC=CC(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=C2O1	REAL300007571715	0	44	-1.0	-58.42	356.43	8.33	-50.09
CC(C)(C)C1=NC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300007571716	0	44	-1.0	-54.51	367.48	7.48	-47.03
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571717	0	41	-1.0	-65.36	336.08	8.20	-57.16
CCN1N=NC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571718	0	38	-1.0	-48.44	310.45	4.28	-44.16
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007571719	0	45	-1.0	-51.96	341.62	7.53	-44.43
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007571720	0	37	-1.0	-46.31	315.53	6.68	-39.63
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007571721	0	39	-1.0	-50.79	333.05	8.75	-42.04
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571722	0	43	-1.0	-49.03	347.49	6.83	-42.20
CC1=CC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1F	REAL300007571723	0	45	-1.0	-50.22	352.40	9.92	-40.30
COC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1OC	REAL300007571724	0	44	-1.0	-50.81	355.61	7.07	-43.74
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007571725	0	39	-1.0	-52.31	327.88	7.88	-44.43
CN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C2CCCC2)=N1	REAL300007571726	0	49	-1.0	-49.57	386.70	8.25	-41.32
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571727	0	48	-1.0	-54.53	366.90	7.59	-46.94
CCCCN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=N1	REAL300007571728	0	48	-1.0	-51.07	384.65	8.27	-42.80
CN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C2CC2)=N1	REAL300007571729	0	43	-1.0	-52.94	347.83	7.24	-45.70
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007571730	0	40	-1.0	-58.58	339.88	7.45	-51.13
CN1N=NC2=C(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=CC=C21	REAL300007571731	0	41	-1.0	-57.92	343.86	6.06	-51.86
CC1(C)CCCN(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300007571732	0	47	-1.0	-50.15	344.86	7.99	-42.16
CN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C2CCC2)=N1	REAL300007571733	0	46	-1.0	-49.84	370.34	7.75	-42.09
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007571734	0	46	-1.0	-47.14	369.78	8.01	-39.13
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007571735	0	40	-1.0	-57.16	336.01	8.63	-48.53
COC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007571736	0	45	-1.0	-69.77	361.81	9.47	-60.30
CCCC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571737	0	45	-1.0	-53.94	361.30	9.80	-44.14
CN1N=C2CCCC2=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571738	0	43	-1.0	-49.23	340.26	6.54	-42.69
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007571739	0	42	-1.0	-55.69	327.58	7.36	-48.33
CC1=CC=CC(C)=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571740	0	42	-1.0	-48.99	317.63	8.66	-40.33
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571741	0	45	-1.0	-55.07	354.45	7.61	-47.46
CC(C)(C)N1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571742	0	45	-1.0	-55.73	360.30	7.06	-48.67
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007571743	0	43	-1.0	-47.69	347.67	6.48	-41.21
CC1=NN(C)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571744	0	39	-1.0	-47.63	316.21	5.47	-42.16
CC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1C	REAL300007571745	0	42	-1.0	-50.81	328.07	8.76	-42.05
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571746	0	47	-1.0	-57.96	385.38	9.94	-48.02
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007571747	0	47	-1.0	-58.24	367.65	10.64	-47.60
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007571748	0	42	-1.0	-54.76	340.97	8.22	-46.54
CN(C1CCC1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571749	0	41	-1.0	-52.18	315.38	6.63	-45.55
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007571750	0	36	-1.0	-43.68	313.84	7.86	-35.82
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007571751	0	43	-1.0	-55.91	350.04	10.01	-45.90
COC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=CS1	REAL300007571752	0	37	-1.0	-55.52	321.31	6.09	-49.43
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007571753	0	46	-1.0	-52.82	369.25	8.20	-44.62
CCC(C)N1N=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571754	0	45	-1.0	-49.45	356.77	7.29	-42.16
CN(C(C)(C)C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571755	0	43	-1.0	-47.13	319.15	6.80	-40.33
CCC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])O1	REAL300007571756	0	39	-1.0	-58.45	327.39	7.96	-50.49
CN(C1CCCCCC1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571757	0	50	-1.0	-52.92	369.49	8.84	-44.08
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571758	0	42	-1.0	-59.02	354.05	9.44	-49.58
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007571759	0	40	-1.0	-55.09	340.09	7.48	-47.61
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300007571760	0	37	-1.0	-52.62	322.65	6.30	-46.32
CC1=CC(C)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=NC=CC=C12	REAL300007571761	0	47	-1.0	-66.68	363.11	10.25	-56.43
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007571762	0	44	-1.0	-49.24	351.77	7.60	-41.64
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007571763	0	39	-1.0	-55.25	331.15	6.44	-48.81
CCOCC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571764	0	46	-1.0	-54.74	373.83	8.28	-46.46
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571765	0	46	-1.0	-55.40	376.53	8.98	-46.42
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007571766	0	49	-1.0	-47.40	381.75	8.21	-39.19
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007571767	0	39	-1.0	-51.36	315.48	8.31	-43.05
CC1=CN=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571768	0	38	-1.0	-55.72	315.49	6.58	-49.14
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=CC=CC=C12	REAL300007571769	0	45	-1.0	-58.73	352.35	10.16	-48.57
CN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007571770	0	46	-1.0	-56.14	376.38	8.45	-47.69
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CC2CC1C2	REAL300007571771	0	39	-1.0	-55.31	310.13	6.60	-48.71
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007571772	0	40	-1.0	-53.55	340.02	9.00	-44.55
CCOCCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571773	0	42	-1.0	-51.91	342.10	6.28	-45.63
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007571774	0	41	-1.0	-54.07	345.07	1.67	-52.40
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007571775	0	39	-1.0	-57.83	330.26	8.05	-49.78
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007571776	0	42	-1.0	-57.26	331.60	8.32	-48.94
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007571777	0	38	-1.0	-54.11	331.70	7.29	-46.82
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CCOC1CCOC1	REAL300007571778	0	44	-1.0	-51.08	355.94	4.89	-46.19
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1COCCO1	REAL300007571779	0	41	-1.0	-53.41	329.58	5.06	-48.35
CC1=NC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007571780	0	45	-1.0	-62.50	367.88	7.76	-54.74
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007571781	0	53	-1.0	-55.33	376.82	10.55	-44.78
CC1(C)COC(CS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300007571782	0	46	-1.0	-53.98	361.37	7.16	-46.82
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007571783	0	39	-1.0	-56.28	332.22	3.45	-52.83
CC(C)(CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C(C)(F)F	REAL300007571784	0	44	-1.0	-52.31	340.23	8.17	-44.14
CS(=O)(=O)CCCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571785	0	44	-1.0	-61.28	371.71	4.58	-56.70
CC1(C)CCC(CS(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])OC1	REAL300007571786	0	49	-1.0	-57.73	375.94	7.77	-49.96
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007571787	0	46	-1.0	-50.98	371.71	10.06	-40.92
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007571788	0	40	-1.0	-53.81	347.91	6.77	-47.04
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007571789	0	45	-1.0	-57.97	355.35	5.14	-52.83
COCCC1(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300007571790	0	43	-1.0	-42.72	319.32	6.12	-36.60
CCN1N=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300007571791	0	38	-1.0	-56.06	320.94	4.97	-51.09
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007571792	0	49	-1.0	-53.68	367.83	9.80	-43.88
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007571793	0	40	-1.0	-53.83	342.65	9.17	-44.66
COC1=CC=C(C=C(C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300007571794	0	47	-1.0	-55.27	373.74	8.91	-46.36
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571795	0	41	-1.0	-54.16	327.88	4.46	-49.70
CC1=COC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571796	0	36	-1.0	-56.64	306.14	7.01	-49.63
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])O1	REAL300007571797	0	36	-1.0	-57.98	305.91	7.18	-50.80
CCC1=NNC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571798	0	39	-1.0	-46.55	320.27	5.11	-41.44
COC1=CSC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1OC	REAL300007571799	0	41	-1.0	-45.66	343.81	5.96	-39.70
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007571800	0	48	-1.0	-55.30	359.55	8.34	-46.96
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571801	0	47	-1.0	-51.38	364.61	9.02	-42.36
COC1=CC(F)=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(F)=C1	REAL300007571802	0	40	-1.0	-54.59	335.05	7.14	-47.45
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571803	0	42	-1.0	-54.72	337.81	7.44	-47.28
CN1C=CC2=CC(S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=CC=C21	REAL300007571804	0	43	-1.0	-60.26	354.47	9.66	-50.60
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571805	0	42	-1.0	-63.37	336.41	9.30	-54.07
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571806	0	47	-1.0	-52.71	380.23	9.20	-43.51
CCN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C2CC2)=N1	REAL300007571807	0	46	-1.0	-53.97	376.31	8.44	-45.53
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=NSN=C2C=C1	REAL300007571808	0	40	-1.0	-55.52	330.22	6.86	-48.66
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007571809	0	35	-1.0	-45.80	326.25	5.86	-39.94
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571810	0	49	-1.0	-49.31	381.81	8.39	-40.92
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=C(Cl)OC=C1	REAL300007571811	0	33	-1.0	-49.70	296.80	6.07	-43.63
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007571812	0	33	-1.0	-42.82	305.33	7.01	-35.81
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571813	0	44	-1.0	-53.48	343.13	5.01	-48.47
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007571814	0	43	-1.0	-51.70	338.03	9.51	-42.19
CC1(C)CCN(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300007571815	0	47	-1.0	-55.51	353.09	7.99	-47.52
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571816	0	39	-1.0	-51.45	339.31	5.40	-46.05
COC1=NC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1C	REAL300007571817	0	42	-1.0	-49.50	344.26	5.01	-44.49
CC(C)CN1C=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300007571818	0	45	-1.0	-55.46	363.22	7.45	-48.01
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571819	0	45	-1.0	-52.06	360.32	7.26	-44.80
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007571820	0	46	-1.0	-57.23	362.88	5.60	-51.63
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])N=C1	REAL300007571821	0	47	-1.0	-54.22	376.00	8.02	-46.20
CC(C)N1N=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571822	0	42	-1.0	-47.47	336.95	6.36	-41.11
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007571823	0	43	-1.0	-47.27	347.27	7.30	-39.97
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007571824	0	43	-1.0	-52.17	344.17	8.35	-43.82
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007571825	0	38	-1.0	-53.53	326.92	6.62	-46.91
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007571826	0	41	-1.0	-65.53	335.39	8.97	-56.56
CC1=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=NN1C(C)C	REAL300007571827	0	45	-1.0	-59.19	359.48	7.28	-51.91
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007571828	0	41	-1.0	-59.41	340.20	8.03	-51.38
CC1=CN=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C)=C1	REAL300007571829	0	41	-1.0	-57.85	329.23	7.82	-50.03
CC1=CN=CC=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571830	0	38	-1.0	-47.56	306.07	6.46	-41.10
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571831	0	44	-1.0	-58.38	352.55	3.36	-55.02
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007571832	0	43	-1.0	-51.32	327.48	5.57	-45.75
N#CC1CCN(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300007571833	0	42	-1.0	-51.18	334.54	6.97	-44.21
COC1=CC=NC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571834	0	39	-1.0	-56.78	329.22	5.05	-51.73
C=CCN(CC=C)S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571835	0	42	-1.0	-53.26	339.41	7.81	-45.45
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(C(F)F)=C1	REAL300007571836	0	43	-1.0	-58.32	347.08	7.82	-50.50
COC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])N=C1	REAL300007571837	0	39	-1.0	-53.57	329.06	5.00	-48.57
CC1=CC=CN=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571838	0	38	-1.0	-56.58	310.38	6.91	-49.67
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007571839	0	41	-1.0	-52.04	332.52	7.76	-44.28
CCOC1=CC=CN=C1S(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300007571840	0	42	-1.0	-61.15	348.71	6.58	-54.57
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C2=NC=CC=C12	REAL300007571841	0	44	-1.0	-62.82	354.58	8.99	-53.83
CC1=CC(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=N1	REAL300007571842	0	38	-1.0	-51.83	316.00	6.65	-45.18
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007571843	0	40	-1.0	-53.71	331.44	7.49	-46.22
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)N1CCC(F)(F)C1	REAL300007571844	0	38	-1.0	-49.07	315.89	6.31	-42.76
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CN=CS1	REAL300007571845	0	32	-1.0	-42.02	280.73	4.46	-37.56
O=C([O-])C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007571846	0	38	-1.0	-60.14	333.81	6.66	-53.48
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300007571847	0	49	-1.0	-53.36	388.42	9.19	-44.17
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571848	0	37	-1.0	-52.19	316.90	5.47	-46.72
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007571849	0	44	-1.0	-48.83	352.77	7.58	-41.25
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007571850	0	29	-1.0	-46.17	281.92	4.60	-41.57
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571851	0	39	-1.0	-51.97	317.92	5.52	-46.45
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571852	0	35	-1.0	-44.48	298.64	5.93	-38.55
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007571853	0	36	-1.0	-51.79	312.37	5.30	-46.49
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007571854	0	38	-1.0	-57.11	334.81	2.52	-54.59
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007571855	0	36	-1.0	-45.61	320.12	4.78	-40.83
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OC	REAL300007571856	0	43	-1.0	-52.37	336.51	4.50	-47.87
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571857	0	35	-1.0	-45.37	293.54	5.73	-39.64
CN(C1CCCCC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571858	0	43	-1.0	-49.02	327.43	5.33	-43.69
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571859	0	38	-1.0	-52.87	307.03	3.91	-48.96
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007571860	0	48	-1.0	-49.59	375.21	8.81	-40.78
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007571861	0	38	-1.0	-50.81	317.42	4.13	-46.68
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007571862	0	32	-1.0	-49.22	282.27	5.33	-43.89
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007571863	0	32	-1.0	-46.28	295.42	5.61	-40.67
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571864	0	37	-1.0	-64.83	298.83	6.71	-58.12
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007571865	0	38	-1.0	-50.99	336.16	7.01	-43.98
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571866	0	42	-1.0	-60.11	356.69	1.55	-58.56
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007571867	0	43	-1.0	-53.60	356.55	6.83	-46.77
CC1=CC(F)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571868	0	35	-1.0	-46.38	301.19	5.69	-40.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007571869	0	38	-1.0	-49.47	319.08	5.48	-43.99
COCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007571870	0	39	-1.0	-49.87	329.17	4.73	-45.14
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007571871	0	38	-1.0	-47.27	322.42	2.58	-44.69
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007571872	0	41	-1.0	-60.91	359.13	3.21	-57.70
CS(=O)(=O)CCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571873	0	37	-1.0	-63.86	322.39	1.01	-62.85
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1C	REAL300007571874	0	42	-1.0	-51.27	324.44	5.23	-46.04
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007571875	0	37	-1.0	-51.00	327.67	5.49	-45.51
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007571876	0	35	-1.0	-49.48	318.46	6.32	-43.16
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007571877	0	37	-1.0	-53.84	315.05	5.39	-48.45
CN(C1CCOCC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571878	0	41	-1.0	-48.96	321.23	3.05	-45.91
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007571879	0	41	-1.0	-54.86	338.91	5.99	-48.87
CCN1N=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007571880	0	41	-1.0	-52.81	329.87	4.82	-47.99
CC(C)N1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007571881	0	38	-1.0	-52.53	318.13	4.07	-48.46
CC(C)CN1C=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571882	0	41	-1.0	-53.47	338.80	5.98	-47.49
CC(C)N1C=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571883	0	38	-1.0	-58.02	319.57	5.39	-52.63
CC(C)C1=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CN1	REAL300007571884	0	38	-1.0	-56.24	317.33	3.42	-52.82
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571885	0	44	-1.0	-48.77	321.34	7.67	-41.10
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300007571886	0	45	-1.0	-54.59	372.01	7.90	-46.69
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571887	0	40	-1.0	-53.66	340.20	4.41	-49.25
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OC	REAL300007571888	0	40	-1.0	-51.79	339.37	4.50	-47.29
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007571889	0	35	-1.0	-50.49	313.60	6.19	-44.30
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571890	0	35	-1.0	-49.43	282.50	5.33	-44.10
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007571891	0	38	-1.0	-49.88	323.18	7.74	-42.14
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007571892	0	37	-1.0	-45.99	322.78	6.86	-39.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007571893	0	36	-1.0	-49.20	319.56	4.64	-44.56
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007571894	0	39	-1.0	-51.68	334.37	6.43	-45.25
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571895	0	47	-1.0	-52.43	369.71	6.36	-46.07
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007571896	0	35	-1.0	-52.22	308.26	5.93	-46.29
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571897	0	43	-1.0	-53.10	351.58	4.58	-48.52
O=C([O-])C1(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CCCCC1	REAL300007574001	0	45	-1.0	-40.53	344.31	7.12	-33.41
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=NSN=C32)CCCCC1	REAL300007574002	0	39	-1.0	-48.92	321.75	3.85	-45.07
O=C([O-])C1(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CCCCC1	REAL300007574003	0	45	-1.0	-41.09	355.26	7.68	-33.41
O=C([O-])C1(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CCCCC1	REAL300007574004	0	44	-1.0	-41.36	326.10	2.52	-38.84
COCCC1(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300007574005	0	42	-1.0	-46.32	321.77	3.82	-42.50
CCN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300007574006	0	37	-1.0	-53.73	291.87	1.60	-52.13
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=N1	REAL300007574006	1	36	-2.0	-130.51	299.30	2.29	-128.22
O=C([O-])C1(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CCCCC1	REAL300007574007	0	48	-1.0	-41.10	340.94	6.81	-34.29
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)S2)CCCCC1	REAL300007574008	0	39	-1.0	-58.79	314.26	6.18	-52.61
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCC3)=CC=C21	REAL300007574009	0	57	-1.0	-45.14	400.81	8.79	-36.35
COC1=CC=C(C=C(C)S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300007574010	0	46	-1.0	-42.95	353.37	5.75	-37.20
COC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1OC	REAL300007574011	0	40	-1.0	-55.95	320.29	3.54	-52.41
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CCCCC1	REAL300007574012	0	39	-1.0	-57.85	308.21	5.73	-52.12
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CCCCC1	REAL300007574013	0	39	-1.0	-42.84	316.60	4.25	-38.59
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007574014	0	41	-1.0	-56.16	311.26	4.91	-51.25
CN1C=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCC3)=CC=C21	REAL300007574015	0	42	-1.0	-62.96	323.64	6.52	-56.44
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CCCCC1	REAL300007574016	0	44	-1.0	-41.22	350.02	5.09	-36.13
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007574017	0	48	-1.0	-58.07	362.22	6.87	-51.20
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CCCCC1	REAL300007574018	0	46	-1.0	-44.39	360.72	7.48	-36.91
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007574019	0	41	-1.0	-45.91	312.83	6.45	-39.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CCCCC1	REAL300007574020	0	36	-1.0	-42.14	319.76	3.24	-38.90
C=C(C)COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300007574021	0	46	-1.0	-57.99	353.66	6.41	-51.58
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C(C2CC2)=N1	REAL300007574022	0	45	-1.0	-56.61	348.67	5.24	-51.37
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C2=NSN=C2C=C1	REAL300007574023	0	39	-1.0	-69.76	306.03	4.15	-65.61
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CCCCC1	REAL300007574024	0	41	-1.0	-56.31	333.14	7.58	-48.73
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)CCCCC1	REAL300007574025	0	45	-1.0	-42.90	362.07	8.54	-34.36
O=C([O-])C1(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)CCCCC1	REAL300007574026	0	34	-1.0	-45.44	304.98	3.17	-42.27
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=CC=C1Br	REAL300007574027	0	41	-1.0	-39.59	330.08	6.47	-33.12
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300007574028	0	48	-1.0	-50.02	366.00	5.85	-44.17
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)OC=C2)CCCCC1	REAL300007574029	0	32	-1.0	-41.04	276.24	3.23	-37.81
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CS2)CCCCC1	REAL300007574030	0	32	-1.0	-53.39	279.24	4.37	-49.02
COCCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300007574031	0	49	-1.0	-44.83	379.95	5.21	-39.62
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CCCCC1	REAL300007574032	0	41	-1.0	-45.34	336.90	7.44	-37.90
CN1N=C2CCOCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007574033	0	43	-1.0	-54.31	320.98	2.67	-51.64
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2CC2)CCCCC1	REAL300007574034	0	42	-1.0	-42.51	316.57	6.73	-35.78
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CCCCC1	REAL300007574035	0	50	-1.0	-56.99	372.22	5.19	-51.80
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007574036	0	38	-1.0	-41.25	318.78	2.33	-38.92
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=C1C	REAL300007574037	0	41	-1.0	-55.18	318.05	2.18	-53.00
CC(C)CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=N1	REAL300007574038	0	44	-1.0	-59.17	333.78	4.85	-54.32
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007574039	0	44	-1.0	-45.68	341.37	4.18	-41.50
CC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007574040	0	41	-1.0	-53.28	312.31	4.18	-49.10
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CC2)CCCCC1	REAL300007574041	0	42	-1.0	-48.36	331.57	4.71	-43.65
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CCCCC1	REAL300007574042	0	42	-1.0	-55.83	320.63	5.97	-49.86
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=NN1C(C)C	REAL300007574043	0	44	-1.0	-46.77	341.42	4.38	-42.39
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300007574044	0	49	-1.0	-44.25	380.18	8.16	-36.09
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C(C(F)F)=C1	REAL300007574045	0	42	-1.0	-43.30	324.53	5.23	-38.07
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCC1	REAL300007574046	0	41	-1.0	-40.58	340.41	2.98	-37.60
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C2=NC=CC=C12	REAL300007574047	0	43	-1.0	-52.32	336.30	5.58	-46.74
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC=C23)CCCCC1	REAL300007574048	0	39	-1.0	-45.96	312.05	4.58	-41.38
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)CCCCC1	REAL300007574049	0	42	-1.0	-41.66	350.80	5.55	-36.11
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300007574050	0	48	-1.0	-63.50	360.25	6.99	-56.51
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574051	0	28	-1.0	-53.97	262.55	4.65	-49.32
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007574052	0	29	-1.0	-56.19	272.97	3.94	-52.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007574053	0	31	-1.0	-59.68	295.27	1.07	-58.61
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007574054	0	29	-1.0	-43.84	278.72	3.33	-40.51
COC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300007574055	0	36	-1.0	-53.54	299.64	3.18	-50.36
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007574056	0	41	-1.0	-53.17	336.43	7.35	-45.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007574057	0	25	-1.0	-53.69	243.13	3.97	-49.72
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007574058	0	25	-1.0	-43.98	254.08	4.17	-39.81
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC(=O)[O-]	REAL300007574059	0	35	-1.0	-66.68	317.04	0.14	-66.54
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007574060	0	34	-1.0	-67.02	319.60	1.75	-65.27
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007574061	0	30	-1.0	-56.37	287.50	4.15	-52.22
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007574062	0	28	-1.0	-56.41	279.00	4.94	-51.47
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574063	0	42	-1.0	-57.42	372.59	2.73	-54.69
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007574064	0	34	-1.0	-55.96	299.61	4.76	-51.20
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007574065	0	38	-1.0	-58.66	332.14	6.16	-52.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007574066	0	33	-1.0	-65.74	300.43	2.99	-62.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007574067	0	31	-1.0	-42.74	294.30	4.54	-38.20
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300007574068	0	33	-1.0	-52.29	299.40	3.06	-49.23
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(OC)C=C1Br	REAL300007574069	0	33	-1.0	-53.61	306.32	3.43	-50.18
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007574070	0	28	-1.0	-41.44	272.26	4.75	-36.69
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007574071	0	31	-1.0	-41.54	271.40	5.57	-35.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007574072	0	35	-1.0	-44.12	328.24	7.59	-36.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007574073	0	30	-1.0	-51.61	289.13	5.56	-46.05
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300007574074	0	36	-1.0	-50.37	354.94	4.31	-46.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007574075	0	29	-1.0	-45.97	278.21	3.19	-42.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007574076	0	32	-1.0	-55.49	293.29	5.21	-50.28
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574077	0	40	-1.0	-54.42	332.16	5.03	-49.39
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574078	0	36	-1.0	-58.58	311.54	3.18	-55.40
O=C([O-])CCCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007575001	0	36	-1.0	-50.22	314.96	0.72	-49.50
COC1=CC(Br)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575002	0	32	-1.0	-48.07	307.71	2.91	-45.16
O=C([O-])CCCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007575003	0	32	-1.0	-48.48	293.59	3.15	-45.33
COC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007575004	0	34	-1.0	-50.58	312.44	3.73	-46.85
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575005	0	34	-1.0	-46.85	310.35	4.87	-41.98
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575006	0	34	-1.0	-48.25	311.54	4.80	-43.45
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300007575007	0	34	-1.0	-47.21	311.35	4.50	-42.71
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007575008	0	35	-1.0	-53.29	321.29	3.53	-49.76
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1C	REAL300007575009	0	55	-1.0	-49.63	444.24	7.59	-42.04
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300007575010	0	42	-1.0	-51.32	377.40	1.41	-49.91
O=C([O-])CCCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007575011	0	36	-1.0	-55.14	330.39	5.16	-49.98
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007575012	0	31	-1.0	-51.69	301.97	4.31	-47.38
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300007575013	0	31	-1.0	-51.17	297.46	4.26	-46.91
O=C([O-])CCCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007575014	0	35	-1.0	-61.89	321.54	0.84	-61.05
CC1=CC(Br)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575015	0	31	-1.0	-47.74	299.63	4.26	-43.48
CC1=C(Br)C=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575016	0	31	-1.0	-47.45	290.37	4.28	-43.17
COC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Br	REAL300007575017	0	32	-1.0	-47.85	306.85	2.95	-44.90
COC1=CC(OC)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300007575018	0	36	-1.0	-50.27	322.99	2.69	-47.58
O=C([O-])CCCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007575019	0	31	-1.0	-53.88	300.87	2.04	-51.84
CC1(C)CC2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C2O1	REAL300007575020	0	39	-1.0	-49.06	334.38	4.23	-44.83
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007575021	0	31	-1.0	-51.96	290.91	1.97	-49.99
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575022	0	39	-1.0	-53.25	322.87	0.97	-52.28
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1I	REAL300007575023	0	31	-1.0	-48.13	302.27	4.62	-43.51
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575024	0	40	-1.0	-55.12	360.58	2.20	-52.92
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575025	0	45	-1.0	-53.89	393.71	2.70	-51.19
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575026	0	45	-1.0	-57.75	399.80	1.49	-56.26
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300007575027	0	36	-1.0	-52.98	335.88	-0.24	-53.22
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300007575028	0	42	-1.0	-56.12	392.23	0.61	-55.51
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(OC)=C1	REAL300007575029	0	43	-1.0	-55.46	372.23	0.44	-55.02
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300007575030	0	42	-1.0	-56.78	371.67	1.13	-55.65
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300007575030	1	41	-2.0	-95.78	368.42	1.21	-94.57
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575031	0	42	-1.0	-53.00	376.05	0.78	-52.22
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575032	0	39	-1.0	-60.47	337.64	2.95	-57.52
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300007575033	0	42	-1.0	-51.80	378.84	1.44	-50.36
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007575034	0	43	-1.0	-61.11	363.04	4.08	-57.03
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300007575035	0	39	-1.0	-52.04	357.34	0.65	-51.39
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007575036	0	43	-1.0	-51.84	370.68	3.42	-48.42
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007575037	0	40	-1.0	-54.23	329.54	1.84	-52.39
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575038	0	37	-1.0	-55.57	339.09	1.40	-54.17
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575039	0	38	-1.0	-57.77	338.13	0.33	-57.44
CCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300007575040	0	35	-1.0	-48.94	328.69	3.88	-45.06
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007575041	0	42	-1.0	-50.55	365.09	6.04	-44.51
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007575042	0	32	-1.0	-48.27	303.91	3.60	-44.67
O=C([O-])CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007575043	0	34	-1.0	-50.52	337.38	1.11	-49.41
COC1=CC=C(Br)C(CS(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575044	0	35	-1.0	-51.82	326.86	3.56	-48.26
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2S1	REAL300007575045	0	42	-1.0	-49.46	369.92	4.93	-44.53
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575046	0	35	-1.0	-49.55	316.89	3.99	-45.56
CC(C)N1N=CC2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C21	REAL300007575047	0	40	-1.0	-50.80	347.64	4.51	-46.29
CCS(=O)(=O)NCCS(=O)(=O)NCCCC(=O)[O-]	REAL300007575048	0	35	-1.0	-58.31	320.76	-2.27	-60.58
CC1=C(S(=O)(=O)NCCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007575049	0	34	-1.0	-48.97	310.68	4.25	-44.72
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007575050	0	31	-1.0	-47.88	312.55	4.92	-42.96
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007575051	0	34	-1.0	-48.44	320.76	5.72	-42.72
O=C([O-])CCCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007575052	0	31	-1.0	-49.18	299.67	4.38	-44.80
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007575053	0	34	-1.0	-52.23	314.66	5.85	-46.38
O=C([O-])CCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007575054	0	34	-1.0	-50.13	317.93	4.78	-45.35
O=C([O-])CCCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007575055	0	39	-1.0	-52.75	338.07	4.32	-48.43
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007575056	0	42	-1.0	-49.55	363.80	6.36	-43.19
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575057	0	41	-1.0	-54.97	364.34	4.55	-50.42
O=C([O-])CCCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007575058	0	39	-1.0	-57.29	356.93	0.05	-57.24
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007575059	0	37	-1.0	-48.72	327.98	5.98	-42.74
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1N(C)C	REAL300007575060	0	39	-1.0	-48.46	331.53	3.64	-44.82
O=C([O-])CCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007575061	0	34	-1.0	-50.91	318.37	4.92	-45.99
COC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300007575062	0	35	-1.0	-48.94	317.98	3.62	-45.32
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575063	0	37	-1.0	-62.04	341.36	1.21	-60.83
CSC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300007575064	0	32	-1.0	-48.85	312.13	4.46	-44.39
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575065	0	40	-1.0	-49.65	330.75	3.46	-46.19
O=C([O-])CCCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007575066	0	36	-1.0	-51.81	328.07	1.54	-50.27
CCC1=NOC2=NC=C(S(=O)(=O)NCCCC(=O)[O-])C=C12	REAL300007575067	0	35	-1.0	-51.77	318.15	0.70	-51.07
O=C([O-])CCCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007575068	0	39	-1.0	-50.74	353.45	2.81	-47.93
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007575069	0	34	-1.0	-48.48	324.11	5.86	-42.62
CCC1=CC(CC)=C(S(=O)(=O)NCCCC(=O)[O-])C(CC)=C1	REAL300007575070	0	46	-1.0	-47.20	356.88	7.71	-39.49
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575071	0	42	-2.0	-100.54	366.93	0.23	-100.31
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575071	1	43	-1.0	-53.59	376.75	0.24	-53.35
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007575072	0	34	-1.0	-48.55	325.53	1.07	-47.48
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007575073	0	37	-1.0	-55.95	323.15	6.77	-49.18
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1F	REAL300007575074	0	35	-1.0	-49.58	306.11	3.21	-46.37
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007575075	0	37	-1.0	-49.58	318.97	4.41	-45.17
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575076	0	46	0.0	-78.40	373.37	4.18	-74.22
O=C([O-])CCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007575077	0	36	-1.0	-50.15	326.36	4.25	-45.90
COCC1=CC(Cl)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575078	0	35	-1.0	-48.60	328.71	3.21	-45.39
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575079	0	40	0.0	-77.74	335.34	4.89	-72.85
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007575080	0	28	-1.0	-47.04	289.48	3.18	-43.86
O=C([O-])CCCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007575081	0	41	-1.0	-52.10	345.66	6.28	-45.82
CC(C)(C)C1=CC(CS(=O)(=O)NCCCC(=O)[O-])=NO1	REAL300007575082	0	39	-1.0	-53.43	338.80	3.70	-49.73
O=C([O-])CCCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007575083	0	37	-1.0	-59.59	318.05	0.16	-59.43
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007575084	0	31	-1.0	-49.00	293.09	3.44	-45.56
O=C([O-])CCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007575084	1	30	-2.0	-103.51	290.85	3.08	-100.43
COC1=CC=C2C=C(S(=O)(=O)NCCCC(=O)[O-])CCC2=C1	REAL300007575085	0	40	-1.0	-49.70	340.85	4.68	-45.02
CC(C)(CCS(=O)(=O)NCCCC(=O)[O-])S(C)(=O)=O	REAL300007575086	0	39	-1.0	-59.67	330.16	0.10	-59.57
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCCCC(=O)[O-])C=C12	REAL300007575087	0	43	-1.0	-53.75	380.32	6.23	-47.52
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCCCC(=O)[O-])C=C12	REAL300007575088	0	47	-1.0	-51.30	398.42	3.75	-47.55
CCC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007575089	0	36	-1.0	-51.91	319.34	4.80	-47.11
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007575090	0	28	-1.0	-47.16	278.20	3.61	-43.55
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575091	0	33	-1.0	-51.27	299.88	4.54	-46.73
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575092	0	35	-1.0	-49.18	320.59	4.35	-44.83
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575093	0	43	-1.0	-48.33	347.86	6.20	-42.13
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007575094	0	31	-1.0	-48.75	295.99	3.99	-44.76
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007575095	0	31	-1.0	-50.90	281.86	4.54	-46.36
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007575096	0	34	-1.0	-54.12	312.43	3.73	-50.39
O=C([O-])CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007575097	0	44	-1.0	-53.38	385.28	0.55	-52.83
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575098	0	45	-1.0	-52.77	393.67	2.70	-50.07
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575099	0	39	-1.0	-53.07	352.51	0.98	-52.09
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300007575100	0	32	-1.0	-49.25	306.83	2.95	-46.30
O=C([O-])CCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007575101	0	34	-1.0	-46.61	334.71	4.99	-41.62
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Br	REAL300007575102	0	31	-1.0	-47.19	296.43	4.17	-43.02
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)=C1	REAL300007575103	0	42	-1.0	-49.26	367.04	6.49	-42.77
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007575104	0	32	-1.0	-47.30	302.90	2.78	-44.52
CC1=C(C)C(C)=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1C	REAL300007575105	0	43	-1.0	-48.18	326.58	5.84	-42.34
O=C([O-])CCCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007575106	0	37	-1.0	-50.14	319.75	2.92	-47.22
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575107	0	44	-1.0	-50.35	353.55	5.12	-45.23
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C21	REAL300007575108	0	35	-1.0	-51.04	332.35	5.36	-45.68
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007575109	0	33	-1.0	-51.56	301.14	4.18	-47.38
COC1=CC=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575110	0	32	-1.0	-49.38	298.73	3.43	-45.95
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575111	0	46	-1.0	-47.12	359.24	6.79	-40.33
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007575112	0	31	-1.0	-47.43	295.66	3.97	-43.46
COC1=CC=C(OC)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575113	0	36	-1.0	-51.83	306.90	2.09	-49.74
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1OC	REAL300007575114	0	36	-1.0	-50.61	315.65	2.19	-48.42
CC(C)CCC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575115	0	43	-1.0	-48.24	360.38	6.49	-41.75
CCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1OCC	REAL300007575116	0	42	-1.0	-50.20	359.36	4.03	-46.17
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575117	0	33	-1.0	-54.43	311.09	-2.06	-56.49
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007575118	0	36	-1.0	-50.62	321.32	4.83	-45.79
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCCC(=O)[O-])=C1C	REAL300007575119	0	36	-1.0	-50.58	316.79	5.08	-45.50
CC1=CC2=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C2N=C1	REAL300007575120	0	36	-1.0	-54.36	310.49	4.74	-49.62
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007575121	0	34	-1.0	-53.91	303.78	3.76	-50.15
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575122	0	32	-1.0	-48.36	294.17	3.33	-45.03
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575123	0	33	-1.0	-55.54	311.10	-2.06	-57.60
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007575124	0	40	-1.0	-54.69	365.94	0.82	-53.87
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCCC(=O)[O-]	REAL300007575125	0	36	-1.0	-50.40	324.71	4.54	-45.86
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CN=C12	REAL300007575126	0	36	-1.0	-50.73	313.16	4.27	-46.46
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300007575127	0	36	-1.0	-54.18	313.44	5.69	-48.49
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575128	0	39	-1.0	-54.19	352.52	0.98	-53.21
O=C([O-])CCCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007575129	0	40	-1.0	-58.17	342.86	2.32	-55.85
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575130	0	34	-1.0	-57.03	317.61	0.51	-56.52
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007575131	0	38	-1.0	-47.75	311.92	6.06	-41.69
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007575132	0	38	-1.0	-49.64	331.10	6.40	-43.24
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCCC(=O)[O-])C=CC=C12	REAL300007575133	0	42	-1.0	-49.58	351.34	5.19	-44.39
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007575134	0	29	-1.0	-52.70	275.26	1.37	-51.33
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575135	0	32	-1.0	-49.50	294.17	3.33	-46.17
CCC(C)(C)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575136	0	43	-1.0	-48.06	347.35	5.77	-42.29
CC(C)OC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575137	0	38	-1.0	-48.67	326.20	3.83	-44.84
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007575138	0	33	-1.0	-51.39	313.18	5.46	-45.93
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007575139	0	39	-1.0	-48.89	362.58	6.40	-42.49
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575140	0	34	-1.0	-48.79	305.66	3.48	-45.31
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007575141	0	39	-1.0	-48.42	362.33	6.35	-42.07
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)C=C1	REAL300007575142	0	43	-1.0	-49.69	375.08	5.12	-44.57
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCCC(=O)[O-])C(C(C)C)=C1	REAL300007575143	0	55	-1.0	-46.73	415.19	8.83	-37.90
CC(C)OC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C12	REAL300007575144	0	44	-1.0	-50.19	366.01	6.24	-43.95
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007575145	0	31	-1.0	-51.68	312.59	4.67	-47.01
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C12	REAL300007575146	0	38	-1.0	-50.79	326.29	4.69	-46.10
O=C([O-])CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007575147	0	46	-1.0	-52.43	394.03	2.97	-49.46
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007575148	0	44	-1.0	-53.82	376.60	0.65	-53.17
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575149	0	33	-1.0	-47.83	299.84	4.54	-43.29
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575150	0	33	-1.0	-50.37	294.98	4.29	-46.08
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575151	0	36	-1.0	-50.82	316.82	5.43	-45.39
COCCC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575152	0	38	-1.0	-49.06	333.48	3.49	-45.57
COC1=C(C)C=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300007575153	0	38	-1.0	-48.70	330.49	3.87	-44.83
CC(C)CCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575154	0	44	-1.0	-48.51	368.84	5.31	-43.20
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007575155	0	42	-1.0	-48.28	351.57	5.20	-43.08
CC(C)COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575156	0	41	-1.0	-48.57	349.88	4.70	-43.87
CCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575157	0	38	-1.0	-48.64	329.78	4.01	-44.63
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300007575158	0	32	-1.0	-49.32	302.44	2.84	-46.48
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007575159	0	32	-1.0	-49.72	312.20	3.11	-46.61
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1OC(C)C	REAL300007575160	0	41	-1.0	-48.71	346.28	4.58	-44.13
COCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575161	0	39	-1.0	-51.16	341.90	2.48	-48.68
CC1=CC(Br)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575162	0	31	-1.0	-46.67	292.91	4.49	-42.18
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCCC(=O)[O-])=C1C	REAL300007575163	0	36	-1.0	-54.50	308.10	5.72	-48.78
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575164	0	37	-1.0	-57.04	332.35	1.40	-55.64
O=C([O-])CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007575165	0	40	-1.0	-53.10	365.92	0.83	-52.27
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575166	0	36	-1.0	-53.58	333.52	-0.85	-54.43
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575167	0	36	-1.0	-52.93	295.68	0.21	-52.72
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007575168	0	38	-1.0	-50.36	331.12	6.40	-43.96
O=C([O-])CCCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007575169	0	31	-1.0	-50.57	314.15	4.70	-45.87
CC1=NC(C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])S2)=CS1	REAL300007575170	0	34	-1.0	-49.87	336.36	3.54	-46.33
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007575171	0	48	-1.0	-48.31	391.49	6.60	-41.71
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575172	0	36	-1.0	-54.31	310.48	4.75	-49.56
CNC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CN1C	REAL300007575173	0	36	-1.0	-53.00	320.81	0.63	-52.37
COC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1	REAL300007575174	0	38	-1.0	-48.01	312.47	3.76	-44.25
O=C([O-])CCCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007575175	0	39	-1.0	-50.10	341.13	7.10	-43.00
COC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300007575176	0	38	-1.0	-48.68	322.03	3.80	-44.88
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007575177	0	36	-1.0	-49.57	302.86	4.17	-45.40
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCCC(=O)[O-])=C2	REAL300007575178	0	41	-1.0	-52.54	356.74	6.82	-45.72
CCN1C=C(S(=O)(=O)NCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007575179	0	33	-1.0	-56.03	306.93	3.86	-52.17
CCN1C=C(S(=O)(=O)[N-]CCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007575179	1	32	-2.0	-112.48	304.99	3.50	-108.98
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007575180	0	35	-1.0	-50.28	327.84	3.67	-46.61
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007575181	0	42	-1.0	-49.91	368.17	6.26	-43.65
O=C([O-])CCCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007575182	0	38	-1.0	-51.64	342.89	4.54	-47.10
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCCC(=O)[O-]	REAL300007575183	0	50	-1.0	-47.59	389.14	5.70	-41.89
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575184	0	36	-1.0	-55.73	334.00	-0.40	-56.13
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007575185	0	43	-1.0	-54.66	378.85	2.12	-52.54
CCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C12	REAL300007575186	0	41	-1.0	-50.44	348.14	5.62	-44.82
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575187	0	38	-1.0	-50.53	320.70	4.40	-46.13
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007575188	0	33	-1.0	-59.21	305.20	3.16	-56.05
O=C([O-])CCCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007575189	0	35	-1.0	-51.97	317.48	4.10	-47.87
CCOCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575190	0	42	-1.0	-51.21	363.76	3.44	-47.77
CCCCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575191	0	44	-1.0	-48.53	372.77	5.57	-42.96
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007575192	0	34	-1.0	-52.11	305.29	4.80	-47.31
O=C([O-])CCCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007575193	0	32	-1.0	-47.45	313.30	4.45	-43.00
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007575194	0	36	-1.0	-56.67	320.57	4.24	-52.43
O=C([O-])CCCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007575195	0	33	-1.0	-54.97	305.19	3.16	-51.81
CCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1	REAL300007575196	0	38	-1.0	-48.51	322.97	4.11	-44.40
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575197	0	36	-1.0	-54.61	333.54	-0.86	-55.47
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007575198	0	32	-1.0	-50.29	287.20	3.08	-47.21
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007575199	0	46	-1.0	-53.97	394.04	2.96	-51.01
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007575200	0	34	-1.0	-52.57	319.73	4.72	-47.85
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCCC(=O)[O-]	REAL300007575201	0	39	-1.0	-49.96	326.83	4.75	-45.21
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007575202	0	34	-1.0	-50.86	291.36	2.54	-48.32
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007575203	0	40	-1.0	-51.31	350.64	4.97	-46.34
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(F)(F)F	REAL300007575204	0	34	-1.0	-48.79	311.35	4.51	-44.28
O=C([O-])CCCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007575205	0	34	-1.0	-50.41	329.75	3.72	-46.69
O=C([O-])CCCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007575206	0	37	-1.0	-51.31	321.72	4.58	-46.73
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCCC(=O)[O-])C=C12	REAL300007575207	0	36	-1.0	-51.03	323.23	2.71	-48.32
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300007575208	0	35	-1.0	-52.10	325.58	3.59	-48.51
CC1(C)CC2=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C2O1	REAL300007575209	0	39	-1.0	-51.80	328.16	4.25	-47.55
O=C([O-])CCCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007575210	0	40	-1.0	-61.97	353.51	1.49	-60.48
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007575211	0	35	-1.0	-51.51	326.67	3.49	-48.02
COC1=CC(OC)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300007575212	0	36	-1.0	-50.23	327.38	2.80	-47.43
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007575213	0	41	-1.0	-52.48	379.22	5.01	-47.47
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007575214	0	36	-1.0	-53.07	318.77	3.62	-49.45
O=C([O-])CCCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007575215	0	31	-1.0	-50.78	307.58	4.59	-46.19
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575216	0	40	-1.0	-53.72	344.85	1.98	-51.74
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007575217	0	39	-1.0	-49.89	362.31	6.34	-43.55
O=C([O-])CCCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007575218	0	34	-1.0	-51.72	323.34	3.65	-48.07
O=C([O-])CCCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007575219	0	34	-1.0	-50.07	340.07	4.17	-45.90
CC1=NC(C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)=CO1	REAL300007575220	0	37	-1.0	-53.07	333.31	2.05	-51.02
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007575221	0	31	-1.0	-52.52	296.38	1.94	-50.58
CN1C=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007575221	1	30	-2.0	-106.72	293.31	1.46	-105.26
CC1=CC=C(N2C=C(S(=O)(=O)NCCCC(=O)[O-])C=N2)C=C1	REAL300007575222	0	38	-1.0	-51.22	338.89	4.77	-46.45
CC1CC2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC(Cl)=C2O1	REAL300007575223	0	36	-1.0	-49.04	330.70	4.09	-44.95
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007575224	0	33	-1.0	-48.52	301.14	4.16	-44.36
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCCC(=O)[O-])C=N1	REAL300007575225	0	39	-1.0	-54.82	344.65	3.74	-51.08
O=C([O-])CCCNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007575226	0	30	-1.0	-50.02	288.91	2.46	-47.56
CC1=CC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2C=C1	REAL300007575227	0	37	-1.0	-49.75	324.21	5.91	-43.84
O=C([O-])CCCNS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007575228	0	34	-1.0	-50.83	318.91	5.01	-45.82
CN1CCCC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C21	REAL300007575229	0	40	-1.0	-49.90	331.13	3.54	-46.36
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007575230	0	30	-1.0	-48.66	291.65	2.21	-46.45
COC1=CC=CC(OC)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575231	0	36	-1.0	-54.06	310.90	3.50	-50.56
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575232	0	36	-1.0	-49.10	315.93	5.03	-44.07
CC1=CC=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300007575233	0	36	-1.0	-55.61	313.09	5.96	-49.65
CC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007575234	0	36	-1.0	-51.55	315.63	5.06	-46.49
COC1=CC=C(CCS(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575235	0	38	-1.0	-52.09	331.68	3.79	-48.30
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300007575236	0	37	-1.0	-48.09	329.91	4.63	-43.46
COC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC(OC)=C1	REAL300007575237	0	36	-1.0	-50.76	315.90	1.59	-49.17
CC1=CC2=C(C=C1S(=O)(=O)NCCCC(=O)[O-])OCO2	REAL300007575238	0	34	-1.0	-49.38	297.70	2.56	-46.82
COC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Cl	REAL300007575239	0	32	-1.0	-47.95	302.46	2.84	-45.11
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007575240	0	36	-1.0	-55.83	305.32	4.51	-51.32
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575241	0	36	-1.0	-46.61	307.84	5.00	-41.61
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575242	0	38	-1.0	-51.00	315.89	4.54	-46.46
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007575243	0	34	-1.0	-53.39	286.35	4.11	-49.28
O=C([O-])CCCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007575244	0	35	-1.0	-53.54	312.91	2.74	-50.80
O=C([O-])CCCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007575245	0	41	-1.0	-53.45	357.70	4.54	-48.91
O=C([O-])CCCNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007575246	0	32	-1.0	-55.82	295.33	3.04	-52.78
O=C([O-])CCCNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007575247	0	30	-1.0	-52.91	281.25	2.74	-50.17
CC1=CSC(C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)=N1	REAL300007575248	0	37	-1.0	-50.16	343.16	4.45	-45.71
O=C([O-])CCCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007575249	0	35	-1.0	-56.22	322.03	0.84	-55.38
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007575250	0	37	-1.0	-51.52	318.68	3.33	-48.19
O=C([O-])CCCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007575251	0	31	-1.0	-50.40	300.55	4.20	-46.20
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575252	0	53	-1.0	-48.43	437.27	7.91	-40.52
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575253	0	38	-1.0	-48.95	342.08	5.16	-43.79
CCC(C)OC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575254	0	41	-1.0	-49.94	346.95	4.64	-45.30
COC(CS(=O)(=O)NCCCC(=O)[O-])C1CCCCC1	REAL300007575255	0	44	-1.0	-50.68	348.60	4.01	-46.67
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007575256	0	42	-1.0	-51.13	374.40	6.34	-44.79
CCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300007575257	0	47	-1.0	-48.27	388.38	6.03	-42.24
CCC1=NC(S(=O)(=O)NCCCC(=O)[O-])=CN1CC1CC1	REAL300007575258	0	41	-1.0	-53.62	349.02	4.90	-48.72
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007575259	0	36	-1.0	-50.33	320.05	5.45	-44.88
O=C([O-])CCCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007575260	0	41	-1.0	-48.50	357.88	5.31	-43.19
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575261	0	31	-1.0	-47.34	298.53	1.60	-45.74
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007575262	0	39	-1.0	-50.26	357.55	7.08	-43.18
O=C([O-])CCCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007575263	0	38	-1.0	-52.21	323.02	6.39	-45.82
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007575264	0	48	-1.0	-49.68	412.26	7.88	-41.80
CCC1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(C)C=C1OC	REAL300007575265	0	41	-1.0	-48.83	342.79	4.66	-44.17
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007575266	0	34	-1.0	-47.20	328.14	4.86	-42.34
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007575267	0	37	-1.0	-50.14	307.65	6.04	-44.10
CC(C)OC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=N1	REAL300007575268	0	37	-1.0	-48.51	326.09	1.54	-46.97
CCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300007575269	0	44	-1.0	-48.65	366.88	5.23	-43.42
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300007575270	0	40	-1.0	-48.14	335.15	5.25	-42.89
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007575271	0	47	-1.0	-51.05	382.53	7.51	-43.54
CN1N=C2CCCCC2=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575272	0	38	-1.0	-48.03	315.89	3.02	-45.01
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C(C)(C)C)=N1	REAL300007575273	0	40	-1.0	-50.96	327.56	3.24	-47.72
O=C([O-])CCCNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007575274	0	38	-1.0	-49.99	324.31	3.33	-46.66
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575275	0	31	-1.0	-47.19	283.15	1.56	-45.63
COC1=CC=C(F)C=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300007575276	0	35	-1.0	-52.53	315.25	3.13	-49.40
CCCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300007575277	0	50	-1.0	-48.24	409.88	6.81	-41.43
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007575278	0	32	-1.0	-49.02	305.55	4.68	-44.34
CCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)(C)C	REAL300007575279	0	50	-1.0	-48.23	400.94	6.70	-41.53
CCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1CC	REAL300007575280	0	44	-1.0	-48.34	371.46	5.50	-42.84
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575281	0	34	-1.0	-45.86	299.75	4.97	-40.89
COCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300007575282	0	39	-1.0	-51.09	362.31	3.15	-47.94
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300007575283	0	34	-1.0	-50.39	317.76	4.89	-45.50
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007575284	0	32	-1.0	-50.08	303.06	4.59	-45.49
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575285	0	44	-1.0	-50.65	371.45	5.75	-44.90
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)C=C1	REAL300007575286	0	43	-1.0	-49.19	385.77	6.84	-42.35
O=C([O-])CCCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007575287	0	38	-1.0	-48.55	316.40	3.32	-45.23
CC1(C)COC2=C(S(=O)(=O)NCCCC(=O)[O-])C=NN2C1	REAL300007575288	0	39	-1.0	-51.21	327.83	1.03	-50.18
O=C([O-])CCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007575289	0	34	-1.0	-49.32	323.76	3.89	-45.43
CCCCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300007575290	0	53	-1.0	-48.20	431.38	7.60	-40.60
COC1=CC(C(C)C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300007575291	0	44	-1.0	-48.87	360.41	5.10	-43.77
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575292	0	38	-1.0	-49.46	323.56	4.41	-45.05
CCOCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300007575293	0	51	-1.0	-50.77	422.36	5.45	-45.32
CC(C)(C)C1=NC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300007575294	0	36	-1.0	-47.92	325.59	2.65	-45.27
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007575295	0	34	-1.0	-50.89	310.59	3.61	-47.28
O=C([O-])CCCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007575296	0	32	-1.0	-51.29	304.90	3.23	-48.06
CC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1F	REAL300007575297	0	37	-1.0	-47.30	305.05	5.00	-42.30
COC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1OC	REAL300007575298	0	36	-1.0	-50.63	304.56	2.78	-47.85
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2CCCC2)=N1	REAL300007575299	0	41	-1.0	-50.51	330.15	3.23	-47.28
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575300	0	40	-1.0	-49.87	336.09	3.59	-46.28
CCCCN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=N1	REAL300007575301	0	40	-1.0	-50.49	347.07	3.67	-46.82
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007575302	0	32	-1.0	-50.70	296.17	2.56	-48.14
CC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300007575303	0	34	-1.0	-48.08	311.14	5.07	-43.01
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007575304	0	34	-1.0	-48.34	325.13	4.12	-44.22
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2CCC2)=N1	REAL300007575305	0	38	-1.0	-50.58	313.19	2.73	-47.85
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575306	0	46	-1.0	-48.41	371.08	6.99	-41.42
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007575307	0	34	-1.0	-48.59	328.13	4.86	-43.73
O=C([O-])CCCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007575308	0	38	-1.0	-50.91	330.89	3.62	-47.29
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007575309	0	39	-1.0	-49.65	346.68	5.80	-43.85
COC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007575310	0	37	-1.0	-59.27	322.35	4.20	-55.07
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300007575311	0	33	-1.0	-48.22	307.84	2.80	-45.42
O=C([O-])CCCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007575312	0	31	-1.0	-46.62	302.06	4.05	-42.57
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575313	0	39	-1.0	-55.20	341.50	5.02	-50.18
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007575314	0	39	-1.0	-48.77	326.55	6.02	-42.75
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007575315	0	34	-1.0	-48.47	319.33	4.02	-44.45
O=C([O-])CCCNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007575316	0	35	-1.0	-54.59	309.96	1.33	-53.26
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575317	0	38	-1.0	-48.50	353.12	3.75	-44.75
O=C([O-])CCCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007575318	0	28	-1.0	-49.50	276.19	3.37	-46.13
O=C([O-])CCCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007575319	0	38	-1.0	-47.74	323.00	3.41	-44.33
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300007575320	0	42	-1.0	-50.96	355.40	2.11	-48.85
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575321	0	34	-1.0	-49.66	310.13	4.51	-45.15
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007575322	0	32	-1.0	-50.47	296.17	2.56	-47.91
O=C([O-])CCCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007575323	0	43	-1.0	-48.91	352.43	5.64	-43.27
CC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C2=NC=CC=C12	REAL300007575324	0	39	-1.0	-55.34	328.37	5.33	-50.01
O=C([O-])CCCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007575325	0	36	-1.0	-49.49	310.53	2.96	-46.53
CCOCC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575326	0	38	-1.0	-50.03	333.84	3.67	-46.36
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007575327	0	31	-1.0	-49.28	316.19	4.99	-44.29
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575328	0	38	-1.0	-49.67	336.60	4.17	-45.50
O=C([O-])CCCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007575329	0	41	-1.0	-49.87	343.30	3.93	-45.94
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007575330	0	39	-1.0	-48.85	345.61	5.83	-43.02
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC(C)=C1Br	REAL300007575331	0	34	-1.0	-47.28	314.61	4.73	-42.55
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007575332	0	31	-1.0	-49.28	316.19	4.99	-44.29
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C12	REAL300007575333	0	37	-1.0	-51.19	315.65	5.87	-45.32
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007575334	0	38	-1.0	-50.63	324.19	3.88	-46.75
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007575335	0	32	-1.0	-49.00	310.12	4.78	-44.22
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007575336	0	32	-1.0	-48.98	310.11	4.79	-44.19
O=C([O-])CCCNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007575337	0	30	-1.0	-51.11	287.87	2.38	-48.73
CC1=NC(S(=O)(=O)NCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007575338	0	37	-1.0	-52.70	330.78	2.16	-50.54
CC1=NC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007575338	1	36	-2.0	-118.81	330.72	1.59	-117.22
O=C([O-])CCCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007575339	0	45	-1.0	-49.81	333.91	5.87	-43.94
CS(=O)(=O)CCCCS(=O)(=O)NCCCC(=O)[O-]	REAL300007575340	0	36	-1.0	-61.26	327.40	-0.21	-61.47
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007575341	0	32	-1.0	-55.66	304.90	2.02	-53.64
O=C([O-])CCCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007575342	0	38	-1.0	-53.21	340.21	5.88	-47.33
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C21	REAL300007575343	0	50	-1.0	-48.31	386.50	7.16	-41.15
COC1=CC=C(C=C(C)S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575344	0	39	-1.0	-49.50	330.25	3.85	-45.65
COC1=CSC(S(=O)(=O)NCCCC(=O)[O-])=C1OC	REAL300007575345	0	33	-1.0	-50.38	305.69	0.83	-49.55
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCCC(=O)[O-]	REAL300007575346	0	39	-1.0	-49.28	337.19	4.87	-44.41
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007575347	0	32	-1.0	-50.33	305.62	3.77	-46.56
COC1=CC(F)=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300007575348	0	32	-1.0	-49.77	294.91	2.55	-47.22
COC1=CC(F)=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(F)=C1	REAL300007575348	1	31	-2.0	-109.79	292.66	2.19	-107.60
O=C([O-])CCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007575349	0	32	-1.0	-50.75	302.41	2.63	-48.12
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007575350	0	37	-1.0	-48.94	335.79	3.46	-45.48
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575351	0	41	-1.0	-51.37	350.69	5.39	-45.98
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007575352	0	39	-1.0	-50.84	347.34	5.90	-44.94
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575353	0	34	-1.0	-53.94	293.80	4.99	-48.95
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007575354	0	29	-1.0	-50.56	292.08	1.84	-48.72
C=C(C)COC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575355	0	39	-1.0	-50.40	340.59	4.61	-45.79
CCN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2CC2)=N1	REAL300007575356	0	38	-1.0	-50.90	322.08	3.22	-47.68
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=NSN=C2C=C1	REAL300007575357	0	32	-1.0	-53.36	294.93	2.36	-51.00
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007575358	0	34	-1.0	-48.63	319.55	5.76	-42.87
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007575359	0	38	-1.0	-48.45	347.84	6.92	-41.53
O=C([O-])CCCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007575360	0	27	-1.0	-50.45	284.25	0.96	-49.49
CCC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Br	REAL300007575361	0	34	-1.0	-46.97	315.96	4.85	-42.12
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575362	0	41	-1.0	-47.98	343.68	4.17	-43.81
COCCC1=CC=C(OC)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575363	0	42	-1.0	-51.16	354.01	3.31	-47.85
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007575364	0	34	-1.0	-50.20	304.27	5.28	-44.92
CN1N=C2CCOCC2=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575365	0	36	-1.0	-48.86	307.56	0.65	-48.21
O=C([O-])CCCNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007575366	0	34	-1.0	-49.73	321.75	2.81	-46.92
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007575367	0	43	-1.0	-49.25	358.80	3.36	-45.89
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575368	0	31	-1.0	-47.78	292.00	0.67	-47.11
O=C([O-])CCCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007575369	0	38	-1.0	-49.63	319.14	0.75	-48.88
O=C([O-])CCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007575370	0	33	-1.0	-49.91	310.03	5.24	-44.67
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])N=C1	REAL300007575371	0	39	-1.0	-49.99	326.57	3.57	-46.42
O=C([O-])CCCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007575372	0	35	-1.0	-49.05	312.15	4.24	-44.81
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007575373	0	42	-1.0	-49.44	365.71	6.55	-42.89
O=C([O-])CCCNS(=O)(=O)N1CC=C(Br)CC1	REAL300007575374	0	31	-1.0	-47.89	288.37	2.70	-45.19
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCCC(=O)[O-]	REAL300007575375	0	36	-1.0	-57.10	315.18	-1.22	-58.32
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)C=C1	REAL300007575376	0	51	-1.0	-49.51	428.40	8.19	-41.32
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(C(F)F)=C1	REAL300007575377	0	35	-1.0	-49.03	308.53	3.62	-45.41
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575378	0	34	-1.0	-47.62	314.14	1.13	-46.49
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=NC=CC=C12	REAL300007575379	0	36	-1.0	-54.68	306.87	4.63	-50.05
O=C([O-])CCCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007575380	0	35	-1.0	-51.86	322.55	3.62	-48.24
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007575381	0	41	-1.0	-50.49	338.57	5.02	-45.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300007575382	0	37	-1.0	-58.75	326.08	4.04	-54.71
CCC(C)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575383	0	44	-1.0	-47.20	363.49	6.24	-40.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300007575384	0	29	-1.0	-41.30	293.94	3.27	-38.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300007575385	0	39	-1.0	-60.48	330.03	4.21	-56.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300007575386	0	35	-1.0	-53.11	313.28	4.65	-48.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007575387	0	36	-1.0	-46.02	319.73	4.89	-41.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007575388	0	38	-1.0	-58.99	334.86	1.28	-57.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007575389	0	36	-1.0	-46.65	330.79	3.43	-43.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300007575390	0	43	-1.0	-55.09	350.87	3.23	-51.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300007575391	0	35	-1.0	-41.80	305.40	5.12	-36.68
COCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	REAL300007575392	0	43	-1.0	-54.72	334.19	3.86	-50.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300007575393	0	38	-1.0	-50.87	316.71	3.35	-47.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007575394	0	48	-1.0	-46.81	386.66	7.45	-39.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007575395	0	38	-1.0	-51.40	329.30	2.79	-48.61
CCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575396	0	38	-1.0	-54.63	317.06	5.19	-49.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007575397	0	32	-1.0	-46.74	287.19	4.41	-42.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007575398	0	32	-1.0	-46.72	306.12	4.26	-42.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300007575399	0	37	-1.0	-61.52	307.02	5.01	-56.51
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007575400	0	38	-1.0	-56.95	345.50	5.61	-51.34
COCCN(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007575401	0	42	-1.0	-66.89	361.71	0.92	-65.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300007575402	0	43	-1.0	-50.68	367.26	5.48	-45.20
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300007575403	0	35	-1.0	-55.32	311.61	4.32	-51.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007575404	0	38	-1.0	-49.78	325.07	4.00	-45.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300007575405	0	39	-1.0	-55.37	329.23	3.48	-51.89
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=N1	REAL300007575406	0	38	-1.0	-51.85	332.85	1.16	-50.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007575407	0	41	-1.0	-67.88	359.19	1.95	-65.93
COCCN(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007575408	0	37	-1.0	-52.44	331.80	-0.33	-52.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300007575409	0	42	-1.0	-54.92	337.80	3.98	-50.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007575410	0	37	-1.0	-58.60	339.65	4.26	-54.34
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007575411	0	35	-1.0	-43.61	327.88	4.98	-38.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007575412	0	37	-1.0	-55.87	324.72	3.97	-51.90
COCCN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007575413	0	42	-1.0	-61.20	350.21	-1.01	-62.21
COCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCOCC1	REAL300007575414	0	41	-1.0	-44.12	330.71	1.66	-42.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300007575415	0	41	-1.0	-53.91	351.06	4.83	-49.08
CCN1N=C(C)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1C	REAL300007575416	0	41	-1.0	-54.17	340.81	3.44	-50.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300007575417	0	38	-1.0	-54.14	329.12	2.66	-51.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300007575418	0	41	-1.0	-49.03	349.59	4.88	-44.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300007575419	0	38	-1.0	-56.14	330.86	4.03	-52.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300007575420	0	38	-1.0	-53.01	326.48	2.38	-50.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007575421	0	44	-1.0	-57.60	338.45	6.39	-51.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007575422	0	40	-1.0	-69.03	350.24	3.00	-66.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300007575423	0	40	-1.0	-55.16	349.35	3.09	-52.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300007575424	0	35	-1.0	-43.82	324.31	4.84	-38.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C	REAL300007575425	0	35	-1.0	-54.89	305.28	4.44	-50.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007575426	0	38	-1.0	-43.56	322.69	6.49	-37.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007575427	0	37	-1.0	-44.32	327.81	6.18	-38.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007575428	0	36	-1.0	-46.21	330.27	3.28	-42.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007575429	0	39	-1.0	-49.09	344.75	5.28	-43.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300007575430	0	47	-1.0	-57.05	379.39	4.94	-52.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007575431	0	35	-1.0	-53.19	306.35	4.62	-48.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300007575432	0	43	-1.0	-61.62	363.68	3.27	-58.35
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576001	0	41	-1.0	-41.66	356.83	8.98	-32.68
CN1C=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300007576002	0	38	-1.0	-44.29	340.65	5.92	-38.37
CCN(CC)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576003	0	42	-1.0	-54.45	346.97	6.77	-47.68
CN(C1CCCCC1)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576004	0	49	-1.0	-52.53	383.90	8.22	-44.31
CC1=NN(C)C(C)=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576005	0	44	-1.0	-50.05	368.23	7.11	-42.94
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007576006	0	44	-1.0	-56.59	379.37	7.33	-49.26
CCC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300007576007	0	44	-1.0	-54.98	377.77	9.61	-45.37
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1Br	REAL300007576008	0	38	-1.0	-58.67	348.47	8.91	-49.76
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007576009	0	38	-1.0	-54.45	356.21	8.80	-45.65
CC1=NNC=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576010	0	38	-1.0	-45.09	330.44	5.08	-40.01
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576011	0	43	-1.0	-54.04	361.26	10.22	-43.82
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007576012	0	44	-1.0	-56.93	396.72	10.20	-46.73
CN(C)S(=O)(=O)CCCS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576013	0	48	-1.0	-66.72	413.04	4.54	-62.18
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300007576014	0	49	-1.0	-54.30	417.32	10.01	-44.29
CC1=CC(F)=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007576015	0	41	-1.0	-52.46	362.73	8.91	-43.55
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CCC1CC1	REAL300007576016	0	41	-1.0	-42.44	350.75	8.24	-34.20
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007576017	0	44	-1.0	-54.74	376.33	8.57	-46.17
COCC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300007576018	0	45	-1.0	-55.67	389.95	7.90	-47.77
CCOC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300007576019	0	44	-1.0	-52.28	380.08	5.57	-46.71
CS(=O)(=O)CCCS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576020	0	43	-1.0	-71.42	379.61	3.98	-67.44
COC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(C)=C1C	REAL300007576021	0	48	-1.0	-45.69	386.58	8.49	-37.20
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007576022	0	43	-1.0	-55.38	375.82	8.56	-46.82
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC1=NOC=C1	REAL300007576023	0	37	-1.0	-60.21	329.37	5.95	-54.26
CC1=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=NN1C	REAL300007576024	0	41	-1.0	-57.10	360.15	6.45	-50.65
CN(C1CCOCC1)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576025	0	47	-1.0	-42.81	381.71	6.23	-36.58
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC2CCC1C2	REAL300007576026	0	44	-1.0	-46.00	364.08	7.74	-38.26
CCN1N=C(C)C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1C	REAL300007576027	0	47	-1.0	-45.25	390.77	8.00	-37.25
CC(C)N1C=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300007576028	0	44	-1.0	-44.93	380.87	7.30	-37.63
CC(C)CN1C=NC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007576029	0	47	-1.0	-51.46	398.26	9.78	-41.68
CC(C)N1C=NC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007576030	0	44	-1.0	-52.14	379.16	8.91	-43.23
CC(C)C1=NC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CN1	REAL300007576031	0	44	-1.0	-62.09	379.26	6.61	-55.48
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576032	0	50	-1.0	-57.48	389.65	10.98	-46.50
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC1CCCOC1	REAL300007576033	0	45	-1.0	-60.09	368.52	6.93	-53.16
CC1=C(F)C=CC=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576034	0	41	-1.0	-55.32	356.83	9.05	-46.27
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576035	0	53	-1.0	-49.59	429.89	9.52	-40.07
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007576036	0	41	-1.0	-54.24	367.06	9.04	-45.20
COCC1=CC=C(OC)C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007576037	0	49	-1.0	-49.73	413.98	7.81	-41.92
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CCOC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300007576128	0	45	-1.0	-54.19	386.22	8.39	-45.80
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CN1C=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007576450	0	48	-1.0	-47.02	408.08	9.39	-37.63
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O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007576452	0	42	-1.0	-43.10	374.72	9.49	-33.61
CCOCCCS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576453	0	44	-1.0	-58.60	371.50	6.47	-52.13
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007576454	0	43	-1.0	-44.72	376.98	2.14	-42.58
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007576455	0	41	-1.0	-48.47	361.90	8.61	-39.86
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1CCC(F)(F)CC1	REAL300007576456	0	44	-1.0	-59.88	367.69	8.60	-51.28
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007576457	0	40	-1.0	-50.77	366.68	7.60	-43.17
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CCOC1CCOC1	REAL300007576458	0	46	-1.0	-47.29	388.63	5.40	-41.89
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC1COCCO1	REAL300007576459	0	43	-1.0	-60.88	363.54	5.37	-55.51
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007576460	0	55	-1.0	-44.49	410.79	11.07	-33.42
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CCN1C=NN=N1	REAL300007576461	0	39	-1.0	-60.78	349.52	6.08	-54.70
CC1(C)COC(CS(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300007576462	0	48	-1.0	-61.73	395.31	7.37	-54.36
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007576463	0	41	-1.0	-66.00	365.72	3.87	-62.13
CC(C)(CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C(C)(F)F	REAL300007576464	0	46	-1.0	-55.34	369.62	8.42	-46.92
CS(=O)(=O)CCCCS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576465	0	46	-1.0	-66.72	401.11	4.77	-61.95
CC1(C)CCC(CS(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])OC1	REAL300007576466	0	51	-1.0	-46.01	408.07	8.55	-37.46
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007576467	0	48	-1.0	-42.88	404.32	10.50	-32.38
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007576468	0	42	-1.0	-64.80	382.71	7.23	-57.57
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007576469	0	47	-1.0	-63.24	388.78	5.63	-57.61
COCCC1(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300007576470	0	45	-1.0	-45.66	373.30	6.95	-38.71
CCN1N=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300007576471	0	40	-1.0	-53.58	357.96	5.12	-48.46
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007576472	0	51	-1.0	-43.80	401.64	10.21	-33.59
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007576473	0	42	-1.0	-55.15	379.19	9.51	-45.64
COC1=CC=C(C=C(C)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300007576474	0	49	-1.0	-45.65	412.02	9.22	-36.43
CO[C@@H]1COC[C@@H]1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576475	0	43	-1.0	-60.87	360.13	5.01	-55.86
CC1=COC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007576476	0	38	-1.0	-54.70	339.98	6.87	-47.83
CC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300007576477	0	38	-1.0	-55.28	340.03	7.01	-48.27
CCC1=NNC=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576478	0	41	-1.0	-56.14	360.75	6.02	-50.12
COC1=CSC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1OC	REAL300007576479	0	43	-1.0	-57.81	384.19	6.14	-51.67
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007576480	0	50	-1.0	-44.38	394.60	8.61	-35.77
CN(CCC1=CC=CC=C1)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576481	0	49	-1.0	-44.21	414.05	10.00	-34.21
COC1=CC(F)=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(F)=C1	REAL300007576482	0	42	-1.0	-47.50	373.50	7.78	-39.72
CN1N=C2C=CC=CC2=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576483	0	44	-1.0	-53.21	375.37	8.00	-45.21
CN1C=CC2=CC(S(=O)(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])=CC=C21	REAL300007576484	0	45	-1.0	-59.33	388.60	9.95	-49.38
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576485	0	44	-1.0	-67.15	373.82	9.95	-57.20
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007576486	0	49	-1.0	-50.63	419.47	9.84	-40.79
CCN1C=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(C2CC2)=N1	REAL300007576487	0	48	-1.0	-48.11	406.75	8.76	-39.35
CC1=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C2=NSN=C2C=C1	REAL300007576488	0	42	-1.0	-45.94	366.77	7.27	-38.67
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007576489	0	37	-1.0	-40.41	363.22	6.19	-34.22
CC1=NN(C2CCCC2)C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007576490	0	51	-1.0	-45.94	420.89	9.34	-36.60
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=C(Cl)OC=C1	REAL300007576491	0	35	-1.0	-44.05	329.21	6.54	-37.51
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(Cl)=CS1	REAL300007576492	0	35	-1.0	-42.23	344.78	7.74	-34.49
CN1N=C2CCOCC2=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576493	0	46	-1.0	-50.33	377.20	5.58	-44.75
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007576494	0	45	-1.0	-57.49	369.55	9.87	-47.62
CC1(C)CCN(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300007576495	0	49	-1.0	-53.39	383.93	8.01	-45.38
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576496	0	41	-1.0	-53.76	374.16	6.02	-47.74
COC1=NC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1C	REAL300007576497	0	44	-1.0	-45.97	383.14	5.63	-40.34
CC(C)CN1C=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300007576498	0	47	-1.0	-44.74	403.49	8.31	-36.43
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576499	0	47	-1.0	-56.43	403.09	7.96	-48.47
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007576500	0	48	-1.0	-56.25	395.45	5.87	-50.38
COCC1=CC(CS(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=NO1	REAL300007576501	0	44	-1.0	-49.51	388.14	6.08	-43.43
CC(C)(C)C1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])N=C1	REAL300007576502	0	49	-1.0	-50.86	408.81	8.61	-42.25
CC(C)N1N=CC=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576503	0	44	-1.0	-44.25	374.32	7.28	-36.97
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007576504	0	45	-1.0	-50.79	382.24	8.41	-42.38
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007576505	0	45	-1.0	-48.98	387.52	9.09	-39.89
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007576506	0	40	-1.0	-46.17	363.97	7.15	-39.02
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007576507	0	43	-1.0	-49.40	369.23	8.54	-40.86
CC1=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=NN1C(C)C	REAL300007576508	0	47	-1.0	-49.33	390.33	7.53	-41.80
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007576509	0	43	-1.0	-54.90	368.18	8.51	-46.39
CC1=CN=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(C)=C1	REAL300007576510	0	43	-1.0	-60.05	359.20	7.45	-52.60
CC1=CN=CC=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576511	0	40	-1.0	-54.41	347.30	7.21	-47.20
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576512	0	46	-1.0	-62.44	388.45	3.79	-58.65
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC2CCC(C1)O2	REAL300007576513	0	45	-1.0	-44.75	366.03	6.29	-38.46
N#CC1CCN(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300007576514	0	44	-1.0	-58.32	369.31	7.43	-50.89
COC1=CC=NC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007576515	0	41	-1.0	-57.61	363.45	5.65	-51.96
C=CCN(CC=C)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576516	0	44	-1.0	-54.73	373.90	7.93	-46.80
COC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(C(F)F)=C1	REAL300007576517	0	45	-1.0	-62.60	387.91	8.73	-53.87
COC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])N=C1	REAL300007576518	0	41	-1.0	-46.27	361.20	5.58	-40.69
CC1=CC=CN=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576519	0	40	-1.0	-59.29	349.42	7.11	-52.18
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007576520	0	43	-1.0	-57.79	372.09	8.70	-49.09
CCOC1=CC=CN=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007576521	0	44	-1.0	-64.48	382.97	7.38	-57.10
CC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C2=NC=CC=C12	REAL300007576522	0	46	-1.0	-54.81	388.41	9.82	-44.99
CC1=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CC=N1	REAL300007576523	0	40	-1.0	-52.52	351.74	7.03	-45.49
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007576524	0	42	-1.0	-60.92	365.68	8.05	-52.87
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(F)(F)C1	REAL300007576525	0	40	-1.0	-52.14	347.99	6.42	-45.72
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CN=CS1	REAL300007576526	0	34	-1.0	-53.27	321.59	5.31	-47.96
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007576527	0	40	-1.0	-57.15	366.21	7.21	-49.94
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007576528	0	51	-1.0	-49.63	419.00	10.26	-39.37
CC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576529	0	31	-1.0	-48.16	289.44	4.41	-43.75
CC(CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007576530	0	32	-1.0	-48.81	291.71	3.21	-45.60
CC(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007576531	0	34	-1.0	-54.70	314.44	0.39	-54.31
CC(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007576532	0	32	-1.0	-45.12	300.26	2.69	-42.43
COC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OC	REAL300007576533	0	39	-1.0	-50.93	327.70	3.02	-47.91
CC(CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007576534	0	44	-1.0	-45.93	355.62	6.68	-39.25
CC(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007576535	0	34	-1.0	-50.87	297.94	2.04	-48.83
CC(CNS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007576536	0	28	-1.0	-46.72	271.14	3.64	-43.08
CC(CNS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007576537	0	28	-1.0	-45.69	275.57	3.51	-42.18
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576538	0	33	-1.0	-50.04	287.42	5.20	-44.84
CC(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007576539	0	34	-1.0	-46.44	316.62	4.89	-41.55
CC(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007576540	0	38	-1.0	-56.03	336.76	-0.55	-56.58
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576541	0	39	-1.0	-46.25	336.21	4.69	-41.56
CC(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007576542	0	37	-1.0	-58.30	339.65	1.10	-57.20
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1C	REAL300007576543	0	38	-1.0	-48.64	314.06	3.71	-44.93
CC(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007576544	0	33	-1.0	-47.97	305.38	3.41	-44.56
CC(CNS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007576545	0	31	-1.0	-46.07	298.81	4.20	-41.87
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576546	0	45	-1.0	-50.38	395.47	1.96	-48.42
CC(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007576547	0	38	-1.0	-54.95	325.32	-1.54	-56.49
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007576548	0	37	-1.0	-52.75	327.18	4.21	-48.54
CC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007576549	0	41	-1.0	-53.28	357.69	5.84	-47.44
CC(CNS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007576550	0	36	-1.0	-62.34	319.91	2.29	-60.05
CC(CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007576551	0	34	-1.0	-45.64	320.73	4.02	-41.62
COC1=CC(Cl)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OC	REAL300007576552	0	36	-1.0	-47.85	313.78	2.14	-45.71
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(OC)C=C1Br	REAL300007576553	0	36	-1.0	-45.97	323.83	2.67	-43.30
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007576554	0	31	-1.0	-48.61	293.76	4.09	-44.52
CC(CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007576555	0	34	-1.0	-47.73	308.87	5.66	-42.07
CC(CNS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300007576556	0	38	-1.0	-48.22	349.73	6.94	-41.28
CC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007576557	0	33	-1.0	-43.79	307.88	5.13	-38.66
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007576558	0	39	-1.0	-46.24	375.59	3.62	-42.62
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007576559	0	32	-1.0	-48.34	299.74	2.55	-45.79
CC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007576560	0	35	-1.0	-48.34	310.71	4.57	-43.77
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576561	0	43	-1.0	-49.19	352.10	4.31	-44.88
COCC1=CC=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576562	0	39	-1.0	-49.35	329.04	2.43	-46.92
CC1=NC2=C(S(=O)(=O)NCC(C)C(=O)[O-])C=CC=C2C=C1	REAL300007577001	0	36	-1.0	-55.76	306.15	4.55	-51.21
CC(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007577002	0	36	-1.0	-58.94	319.18	4.80	-54.14
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300007577003	0	46	-1.0	-51.17	395.37	5.43	-45.74
CC(CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007577004	0	39	-1.0	-49.41	331.79	1.43	-47.98
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577005	0	42	-1.0	-51.27	364.70	3.95	-47.32
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577006	0	42	-1.0	-51.75	371.37	4.16	-47.59
COCCOCCOCCS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577007	0	42	-1.0	-51.36	361.87	0.22	-51.14
CC(COC1CCCC1)CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577008	0	44	-1.0	-46.11	354.57	4.23	-41.88
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007577009	0	43	-1.0	-51.47	376.25	4.18	-47.29
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577010	0	35	-1.0	-45.66	321.98	3.17	-42.49
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(OC)=C1	REAL300007577011	0	46	-1.0	-50.53	391.44	1.13	-49.40
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(OC)=C1	REAL300007577011	1	45	-2.0	-95.69	387.50	1.20	-94.49
CC(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007577012	0	36	-1.0	-46.65	312.67	0.63	-46.02
COC1=CC(Br)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577013	0	32	-1.0	-46.16	304.55	2.79	-43.37
CC(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007577014	0	32	-1.0	-43.97	290.93	3.08	-40.89
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007577015	0	34	-1.0	-47.75	308.97	3.62	-44.13
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577016	0	34	-1.0	-44.75	307.24	4.76	-39.99
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577017	0	34	-1.0	-48.94	307.26	4.80	-44.14
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007577018	0	34	-1.0	-45.74	308.69	4.41	-41.33
CC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007577019	0	35	-1.0	-51.79	318.13	3.42	-48.37
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1C	REAL300007577020	0	55	-1.0	-49.05	441.95	7.50	-41.55
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300007577021	0	42	-1.0	-48.71	365.33	0.83	-47.88
CC(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007577022	0	36	-1.0	-50.15	327.23	5.03	-45.12
CC(CNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007577023	0	31	-1.0	-47.70	298.80	4.19	-43.51
CC(CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007577024	0	31	-1.0	-46.78	294.29	4.13	-42.65
CC(CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007577025	0	35	-1.0	-57.57	319.25	0.75	-56.82
CC1=CC(Br)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577026	0	31	-1.0	-46.68	297.34	4.17	-42.51
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577027	0	31	-1.0	-46.27	286.92	4.18	-42.09
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Br	REAL300007577028	0	32	-1.0	-46.16	303.38	2.85	-43.31
COC1=CC(OC)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007577029	0	36	-1.0	-46.48	319.52	2.59	-43.89
CC(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007577030	0	31	-1.0	-49.62	297.71	1.92	-47.70
CC(CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007577031	0	39	-1.0	-46.81	332.09	4.14	-42.67
CC(CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007577032	0	31	-1.0	-54.08	288.63	1.87	-52.21
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577033	0	39	-1.0	-49.76	320.88	0.89	-48.87
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1I	REAL300007577034	0	31	-1.0	-48.41	299.61	4.54	-43.87
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577035	0	40	-1.0	-53.37	357.41	2.08	-51.29
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577036	0	45	-1.0	-50.68	390.24	2.60	-48.08
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577037	0	45	-1.0	-56.21	397.52	1.40	-54.81
CC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007577038	0	36	-1.0	-49.70	332.41	-0.34	-50.04
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300007577039	0	42	-1.0	-54.64	388.76	0.51	-54.13
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(OC)=C1	REAL300007577040	0	43	-1.0	-50.72	369.94	0.35	-50.37
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300007577041	0	42	-1.0	-58.75	369.38	1.03	-57.72
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300007577041	1	41	-2.0	-105.36	365.26	1.11	-104.25
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577042	0	42	-1.0	-50.66	372.89	0.67	-49.99
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007577043	0	39	-1.0	-58.73	334.70	2.85	-55.88
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300007577044	0	42	-1.0	-48.74	375.37	1.33	-47.41
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007577045	0	43	-1.0	-59.99	360.14	3.98	-56.01
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300007577046	0	39	-1.0	-49.14	354.68	0.57	-48.57
CC(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007577047	0	43	-1.0	-52.32	367.20	3.32	-49.00
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007577048	0	40	-1.0	-58.14	341.52	1.96	-56.18
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577049	0	37	-1.0	-53.80	335.61	1.30	-52.50
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577050	0	38	-1.0	-55.26	335.47	0.26	-55.00
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007577051	0	35	-1.0	-45.78	325.22	3.78	-42.00
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007577052	0	42	-1.0	-51.11	361.62	5.94	-45.17
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007577053	0	32	-1.0	-43.94	301.25	3.53	-40.41
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007577054	0	34	-1.0	-47.41	335.09	1.01	-46.40
COC1=CC=C(Br)C(CS(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577055	0	35	-1.0	-48.95	324.57	3.45	-45.50
CC(CNS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007577056	0	42	-1.0	-47.96	367.62	4.84	-43.12
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577057	0	35	-1.0	-46.82	314.23	3.92	-42.90
CC(C)N1N=CC2=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C21	REAL300007577058	0	40	-1.0	-48.46	345.35	4.42	-44.04
CCS(=O)(=O)NCCS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577059	0	35	-1.0	-52.58	317.60	-2.40	-54.98
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007577060	0	34	-1.0	-50.11	308.02	4.17	-45.94
CC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007577061	0	31	-1.0	-46.35	309.39	4.80	-41.55
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007577062	0	34	-1.0	-45.50	318.10	5.65	-39.85
CC(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007577063	0	31	-1.0	-50.16	297.01	4.31	-45.85
CC(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007577064	0	34	-1.0	-50.26	311.11	5.74	-44.52
CC(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007577065	0	34	-1.0	-47.47	315.65	4.68	-42.79
CC(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007577066	0	39	-1.0	-48.87	335.78	4.21	-44.66
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007577067	0	42	-1.0	-45.77	353.62	6.06	-39.71
CC(CNS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007577068	0	41	-1.0	-51.54	361.17	4.44	-47.10
CC(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007577069	0	39	-1.0	-51.85	353.76	-0.07	-51.92
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007577070	0	37	-1.0	-49.83	324.52	5.87	-43.96
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1N(C)C	REAL300007577071	0	39	-1.0	-47.08	328.87	3.55	-43.53
CC(CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007577072	0	34	-1.0	-50.48	315.70	4.85	-45.63
COC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007577073	0	35	-1.0	-49.56	313.70	3.65	-45.91
CC(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007577074	0	37	-1.0	-58.09	339.08	1.10	-56.99
CSC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007577075	0	32	-1.0	-46.14	309.47	4.37	-41.77
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577076	0	40	-1.0	-46.27	327.58	3.34	-42.93
CC(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007577077	0	36	-1.0	-50.30	324.91	1.43	-48.87
CCC1=NOC2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300007577078	0	35	-1.0	-50.29	314.99	0.59	-49.70
CC(CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007577079	0	39	-1.0	-47.68	351.16	2.71	-44.97
CC(CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007577080	0	34	-1.0	-47.74	321.46	5.78	-41.96
CCC1=CC(CC)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(CC)=C1	REAL300007577081	0	46	-1.0	-46.43	353.17	7.61	-38.82
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577082	0	42	-2.0	-104.18	374.88	0.04	-104.14
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577082	1	43	-1.0	-48.43	374.63	0.15	-48.28
CC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007577083	0	34	-1.0	-45.77	322.35	0.95	-44.82
CC(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007577084	0	37	-1.0	-54.16	321.37	6.65	-47.51
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1F	REAL300007577085	0	35	-1.0	-47.64	302.63	3.11	-44.53
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007577086	0	37	-1.0	-49.19	316.31	4.32	-44.87
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577087	0	46	0.0	-76.34	371.08	4.08	-72.26
CC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007577088	0	36	-1.0	-48.89	322.89	4.14	-44.75
COCC1=CC(Cl)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577089	0	35	-1.0	-46.91	326.43	3.12	-43.79
CC(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007577090	0	40	0.0	-71.76	333.00	4.79	-66.97
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007577091	0	28	-1.0	-46.83	286.83	3.09	-43.74
CC(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007577092	0	41	-1.0	-49.48	343.01	6.20	-43.28
CC(CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007577093	0	39	-1.0	-49.23	335.32	3.60	-45.63
CC(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007577094	0	37	-1.0	-57.58	314.58	0.06	-57.52
CC(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007577095	0	31	-1.0	-49.59	290.43	3.35	-46.24
CC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007577095	1	30	-2.0	-110.04	289.79	3.01	-107.03
COC1=CC=C2C=C(S(=O)(=O)NCC(C)C(=O)[O-])CCC2=C1	REAL300007577096	0	40	-1.0	-47.24	337.68	4.57	-42.67
CC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007577097	0	39	-1.0	-56.35	326.64	0.02	-56.33
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300007577098	0	43	-1.0	-53.15	377.14	6.14	-47.01
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300007577099	0	47	-1.0	-48.09	395.26	3.64	-44.45
CCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007577100	0	36	-1.0	-54.69	316.68	4.72	-49.97
CC(CNS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007577101	0	28	-1.0	-44.37	275.03	3.50	-40.87
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577102	0	33	-1.0	-52.65	297.17	4.48	-48.17
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577103	0	35	-1.0	-49.27	324.63	4.18	-45.09
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577104	0	43	-1.0	-49.08	345.15	6.12	-42.96
CC(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007577105	0	31	-1.0	-45.28	292.52	3.89	-41.39
CC(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007577106	0	31	-1.0	-47.12	278.78	4.44	-42.68
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007577107	0	34	-1.0	-56.54	309.77	3.64	-52.90
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300007577108	0	44	-1.0	-51.32	382.99	0.46	-50.86
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577109	0	45	-1.0	-50.74	390.50	2.58	-48.16
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007577110	0	39	-1.0	-51.28	350.13	0.89	-50.39
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007577111	0	32	-1.0	-46.09	303.36	2.85	-43.24
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007577112	0	34	-1.0	-43.68	331.55	4.88	-38.80
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Br	REAL300007577113	0	31	-1.0	-45.59	292.96	4.07	-41.52
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)=C1	REAL300007577114	0	42	-1.0	-47.48	364.75	6.40	-41.08
CC(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007577115	0	32	-1.0	-45.16	300.62	2.68	-42.48
CC1=C(C)C(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1C	REAL300007577116	0	43	-1.0	-47.61	327.31	5.89	-41.72
CC(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007577117	0	37	-1.0	-47.93	317.09	2.84	-45.09
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577118	0	44	-1.0	-48.70	351.00	5.06	-43.64
CC(CNS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007577119	0	35	-1.0	-50.32	330.06	5.26	-45.06
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007577120	0	33	-1.0	-46.41	297.67	4.07	-42.34
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577121	0	32	-1.0	-45.93	295.26	3.33	-42.60
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577122	0	46	-1.0	-45.24	353.56	6.56	-38.68
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007577123	0	31	-1.0	-44.49	292.50	3.86	-40.63
COC1=CC=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577124	0	36	-1.0	-49.49	304.24	2.02	-47.47
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OC	REAL300007577125	0	36	-1.0	-48.81	312.99	2.10	-46.71
CC(C)CCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577126	0	43	-1.0	-46.00	357.20	6.37	-39.63
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OCC	REAL300007577127	0	42	-1.0	-49.77	355.89	3.93	-45.84
CC(CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007577128	0	33	-1.0	-52.05	307.93	-2.18	-54.23
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007577129	0	36	-1.0	-45.41	318.16	4.72	-40.69
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1C	REAL300007577130	0	36	-1.0	-50.20	313.73	4.97	-45.23
CC1=CC2=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C2N=C1	REAL300007577131	0	36	-1.0	-55.62	307.01	4.64	-50.98
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007577132	0	34	-1.0	-49.62	301.47	3.68	-45.94
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577133	0	32	-1.0	-45.00	291.88	3.23	-41.77
CC(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007577134	0	33	-1.0	-52.66	308.44	-2.14	-54.80
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007577135	0	40	-1.0	-51.31	362.47	0.72	-50.59
CC(CNS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007577136	0	36	-1.0	-47.59	322.42	4.47	-43.12
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CN=C12	REAL300007577137	0	36	-1.0	-50.31	309.67	4.16	-46.15
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007577138	0	36	-1.0	-50.56	309.36	5.57	-44.99
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007577139	0	39	-1.0	-51.35	349.83	0.90	-50.45
CC(CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007577140	0	40	-1.0	-61.48	340.20	2.24	-59.24
CC(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007577141	0	34	-1.0	-54.38	314.15	0.40	-53.98
CC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007577142	0	38	-1.0	-50.86	322.52	6.48	-44.38
CC(CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007577143	0	38	-1.0	-48.72	327.63	6.29	-42.43
CC(CNS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007577144	0	42	-1.0	-49.06	347.85	5.09	-43.97
CC(CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007577145	0	29	-1.0	-52.57	272.97	1.27	-51.30
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577146	0	32	-1.0	-46.72	291.51	3.26	-43.46
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577147	0	43	-1.0	-46.45	345.06	5.68	-40.77
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577148	0	38	-1.0	-46.36	323.91	3.74	-42.62
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007577149	0	33	-1.0	-46.56	310.90	5.37	-41.19
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007577150	0	39	-1.0	-49.92	358.95	6.27	-43.65
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577151	0	34	-1.0	-44.92	302.49	3.37	-41.55
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007577152	0	39	-1.0	-47.37	359.67	6.26	-41.11
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300007577153	0	43	-1.0	-48.14	371.65	5.02	-43.12
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C(C)C)=C1	REAL300007577154	0	55	-1.0	-46.58	412.53	8.76	-37.82
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007577155	0	44	-1.0	-49.90	362.54	6.13	-43.77
CC(CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007577156	0	31	-1.0	-47.26	310.31	4.56	-42.70
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007577157	0	38	-1.0	-50.45	322.83	4.59	-45.86
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300007577158	0	46	-1.0	-51.64	391.37	2.89	-48.75
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007577159	0	44	-1.0	-51.36	373.13	0.55	-50.81
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577160	0	33	-1.0	-45.55	297.61	4.45	-41.10
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577161	0	33	-1.0	-47.78	292.25	4.23	-43.55
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577162	0	36	-1.0	-52.03	312.76	5.32	-46.71
COCCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577163	0	38	-1.0	-46.95	331.19	3.40	-43.55
COC1=C(C)C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007577164	0	38	-1.0	-46.89	327.33	3.75	-43.14
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577165	0	44	-1.0	-46.71	366.56	5.21	-41.50
CC(CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007577166	0	42	-1.0	-46.99	348.90	5.12	-41.87
CC(C)COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577167	0	41	-1.0	-46.59	346.72	4.59	-42.00
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577168	0	38	-1.0	-46.63	326.61	3.90	-42.73
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007577169	0	32	-1.0	-46.57	299.78	2.76	-43.81
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007577170	0	32	-1.0	-47.82	308.73	3.01	-44.81
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007577171	0	41	-1.0	-48.51	343.60	4.49	-44.02
COCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577172	0	39	-1.0	-49.67	338.74	2.37	-47.30
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577173	0	31	-1.0	-44.80	289.80	4.39	-40.41
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC(C)C(=O)[O-])=C1C	REAL300007577174	0	36	-1.0	-49.65	304.63	5.63	-44.02
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577175	0	37	-1.0	-59.38	328.85	1.31	-58.07
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007577176	0	40	-1.0	-51.93	363.26	0.75	-51.18
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577177	0	36	-1.0	-51.42	331.23	-0.94	-52.36
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577178	0	36	-1.0	-50.63	291.74	0.59	-50.04
CC(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007577179	0	38	-1.0	-51.26	327.65	6.29	-44.97
CC(CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007577180	0	31	-1.0	-47.63	311.49	4.63	-43.00
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])S2)=CS1	REAL300007577181	0	34	-1.0	-49.48	333.71	3.46	-46.02
CC(CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007577182	0	48	-1.0	-45.96	389.20	6.51	-39.45
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577183	0	36	-1.0	-53.55	307.32	4.64	-48.91
CNC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CN1C	REAL300007577184	0	36	-1.0	-50.56	317.34	0.53	-50.03
COC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1	REAL300007577185	0	38	-1.0	-46.53	309.31	3.65	-42.88
CC(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007577186	0	39	-1.0	-48.44	337.96	6.99	-41.45
COC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007577187	0	38	-1.0	-49.32	319.42	3.72	-45.60
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007577188	0	36	-1.0	-50.07	300.20	4.09	-45.98
CC(CNS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007577189	0	41	-1.0	-52.73	353.57	6.71	-46.02
CCN1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007577190	0	33	-1.0	-51.48	304.66	3.77	-47.71
CCN1C=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007577190	1	32	-2.0	-119.60	302.25	3.37	-116.23
CC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007577191	0	35	-1.0	-46.55	324.67	3.56	-42.99
CC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007577192	0	42	-1.0	-47.21	365.01	6.15	-41.06
CC(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007577193	0	38	-1.0	-47.64	339.73	4.43	-43.21
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577194	0	50	-1.0	-46.89	387.97	5.74	-41.15
CC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007577195	0	36	-1.0	-51.34	330.83	-0.51	-51.85
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007577196	0	43	-1.0	-57.69	376.19	2.03	-55.66
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007577197	0	41	-1.0	-50.04	344.60	5.51	-44.53
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577198	0	38	-1.0	-48.97	314.25	4.22	-44.75
CC(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007577199	0	33	-1.0	-54.24	301.73	3.06	-51.18
CC(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007577200	0	35	-1.0	-50.96	314.32	3.99	-46.97
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577201	0	42	-1.0	-49.98	361.47	3.35	-46.63
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577202	0	44	-1.0	-46.55	369.61	5.46	-41.09
CC(CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007577203	0	34	-1.0	-47.41	302.13	4.68	-42.73
CC(CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007577204	0	32	-1.0	-45.65	310.14	4.34	-41.31
CC(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007577205	0	36	-1.0	-52.75	317.40	4.12	-48.63
CC(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007577206	0	33	-1.0	-53.11	302.02	3.05	-50.06
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1	REAL300007577207	0	38	-1.0	-46.80	319.87	4.01	-42.79
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577208	0	36	-1.0	-56.89	330.88	-0.94	-57.83
CC(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007577209	0	32	-1.0	-46.18	284.04	2.98	-43.20
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300007577210	0	46	-1.0	-56.57	390.57	2.86	-53.71
CC(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007577211	0	34	-1.0	-48.62	316.57	4.60	-44.02
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577212	0	39	-1.0	-46.38	324.54	4.66	-41.72
CC(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007577213	0	34	-1.0	-49.10	288.70	2.45	-46.65
CC(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007577214	0	40	-1.0	-49.59	348.35	4.87	-44.72
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007577215	0	34	-1.0	-49.57	308.69	4.42	-45.15
CC(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007577216	0	34	-1.0	-51.17	327.46	3.62	-47.55
CC(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007577217	0	37	-1.0	-51.52	318.26	4.48	-47.04
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300007577218	0	36	-1.0	-47.71	320.07	2.60	-45.11
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577219	0	35	-1.0	-48.44	322.41	3.47	-44.97
CC(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007577220	0	39	-1.0	-51.88	325.87	4.15	-47.73
CC(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007577221	0	40	-1.0	-64.14	350.85	1.40	-62.74
CC(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007577222	0	35	-1.0	-46.29	324.38	3.39	-42.90
COC1=CC(OC)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007577223	0	36	-1.0	-46.39	323.91	2.70	-43.69
CC(CNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300007577224	0	41	-1.0	-54.71	375.34	5.08	-49.63
CC(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007577225	0	36	-1.0	-50.38	316.11	3.54	-46.84
CC(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007577226	0	31	-1.0	-49.36	304.11	4.49	-44.87
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577227	0	40	-1.0	-50.85	342.59	1.90	-48.95
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007577228	0	39	-1.0	-48.79	360.05	6.24	-42.55
CC(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007577229	0	34	-1.0	-47.98	320.17	3.53	-44.45
CC(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007577230	0	34	-1.0	-50.97	337.78	4.07	-46.90
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)=CO1	REAL300007577231	0	37	-1.0	-49.70	330.15	1.94	-47.76
CC(CNS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007577232	0	31	-1.0	-48.62	294.16	1.84	-46.78
CC(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007577232	1	30	-2.0	-113.75	292.80	1.43	-112.32
CC1=CC=C(N2C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=N2)C=C1	REAL300007577233	0	38	-1.0	-48.40	336.60	4.67	-43.73
CC(CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007577234	0	36	-1.0	-46.67	328.04	4.01	-42.66
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007577235	0	33	-1.0	-46.30	297.67	4.05	-42.25
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=N1	REAL300007577236	0	39	-1.0	-54.62	342.37	3.64	-50.98
CC(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007577237	0	30	-1.0	-49.04	286.63	2.37	-46.67
CC1=CC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2C=C1	REAL300007577238	0	37	-1.0	-49.55	321.55	5.83	-43.72
CC(CNS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007577239	0	34	-1.0	-46.78	316.62	4.90	-41.88
CC(CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007577240	0	40	-1.0	-49.01	328.47	3.45	-45.56
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007577241	0	30	-1.0	-46.95	288.46	2.11	-44.84
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577242	0	36	-1.0	-53.82	308.25	3.41	-50.41
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577243	0	36	-1.0	-45.93	313.46	4.97	-40.96
CC1=CC=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007577244	0	36	-1.0	-50.22	309.62	5.85	-44.37
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007577245	0	36	-1.0	-52.90	312.89	5.00	-47.90
COC1=CC=C(CCS(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577246	0	38	-1.0	-47.94	328.51	3.67	-44.27
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007577247	0	37	-1.0	-48.24	326.44	4.53	-43.71
COC1=CC(OC)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577248	0	36	-1.0	-49.38	312.73	1.48	-47.90
CC1=CC2=C(C=C1S(=O)(=O)NCC(C)C(=O)[O-])OCO2	REAL300007577249	0	34	-1.0	-48.45	295.33	2.46	-45.99
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Cl	REAL300007577250	0	32	-1.0	-46.34	298.99	2.74	-43.60
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007577251	0	36	-1.0	-53.74	302.66	4.43	-49.31
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577252	0	36	-1.0	-43.47	304.67	4.89	-38.58
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577253	0	38	-1.0	-48.59	313.60	4.45	-44.14
CC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007577254	0	34	-1.0	-46.83	278.69	3.84	-42.99
CC(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007577255	0	35	-1.0	-55.66	310.26	2.65	-53.01
CC(CNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007577256	0	41	-1.0	-48.61	354.53	4.43	-44.18
CC(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007577257	0	32	-1.0	-53.12	292.67	2.96	-50.16
CC(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007577258	0	30	-1.0	-51.97	278.09	2.64	-49.33
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)=N1	REAL300007577259	0	37	-1.0	-49.80	339.69	4.35	-45.45
CC(CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007577260	0	35	-1.0	-53.64	319.74	0.75	-52.89
CC(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007577261	0	37	-1.0	-50.50	316.03	3.25	-47.25
CC(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007577262	0	31	-1.0	-46.29	297.37	4.08	-42.21
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577263	0	53	-1.0	-46.63	434.98	7.82	-38.81
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577264	0	38	-1.0	-48.85	346.13	4.98	-43.87
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577265	0	41	-1.0	-47.99	344.29	4.56	-43.43
COC(CS(=O)(=O)NCC(C)C(=O)[O-])C1CCCCC1	REAL300007577266	0	44	-1.0	-45.97	345.44	3.88	-42.09
CC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007577267	0	42	-1.0	-48.02	371.74	6.25	-41.77
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007577268	0	47	-1.0	-47.82	384.91	5.93	-41.89
CCC1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=CN1CC1CC1	REAL300007577269	0	41	-1.0	-50.33	348.74	4.65	-45.68
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007577270	0	36	-1.0	-47.86	317.35	5.36	-42.50
CC(CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007577271	0	41	-1.0	-46.32	355.60	5.21	-41.11
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007577272	0	31	-1.0	-46.14	295.06	1.50	-44.64
CC(CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007577273	0	39	-1.0	-51.38	354.89	7.00	-44.38
CC(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007577274	0	38	-1.0	-51.28	320.80	6.29	-44.99
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007577275	0	48	-1.0	-48.15	409.97	7.79	-40.36
CCC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(C)C=C1OC	REAL300007577276	0	41	-1.0	-49.01	339.27	4.56	-44.45
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007577277	0	34	-1.0	-44.17	324.97	4.75	-39.42
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007577278	0	37	-1.0	-51.38	304.18	5.95	-45.43
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=N1	REAL300007577279	0	37	-1.0	-45.55	322.92	1.43	-44.12
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007577280	0	44	-1.0	-48.54	364.22	5.15	-43.39
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007577281	0	40	-1.0	-49.10	332.49	5.15	-43.95
CC(CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007577282	0	47	-1.0	-48.93	379.87	7.43	-41.50
CC(CNS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007577283	0	38	-1.0	-46.32	312.72	2.90	-43.42
CC(CNS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007577284	0	40	-1.0	-47.82	324.44	3.15	-44.67
CC(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007577285	0	38	-1.0	-49.31	322.03	3.24	-46.07
CC(CNS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007577286	0	31	-1.0	-47.08	279.99	1.45	-45.63
COC1=CC=C(F)C=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577287	0	35	-1.0	-48.83	312.09	3.01	-45.82
CCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007577288	0	50	-1.0	-46.57	406.41	6.71	-39.86
CC(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007577289	0	32	-1.0	-45.97	303.26	4.59	-41.38
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007577290	0	50	-1.0	-48.06	397.47	6.60	-41.46
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1CC	REAL300007577291	0	44	-1.0	-47.22	368.80	5.41	-41.81
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577292	0	34	-1.0	-43.58	296.59	4.87	-38.71
COCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007577293	0	39	-1.0	-48.01	359.65	3.07	-44.94
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577294	0	34	-1.0	-45.71	314.60	4.78	-40.93
CC(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007577295	0	32	-1.0	-46.61	299.90	4.48	-42.13
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577296	0	44	-1.0	-46.61	368.29	5.63	-40.98
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300007577297	0	43	-1.0	-47.97	383.15	6.76	-41.21
CC(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007577298	0	38	-1.0	-45.31	314.30	3.23	-42.08
CC(CNS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007577299	0	39	-1.0	-48.08	324.67	0.91	-47.17
CC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007577300	0	34	-1.0	-48.96	321.10	3.81	-45.15
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007577301	0	53	-1.0	-47.75	427.91	7.49	-40.26
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007577302	0	44	-1.0	-49.30	357.68	5.02	-44.28
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577303	0	38	-1.0	-50.09	328.73	4.29	-45.80
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007577304	0	51	-1.0	-50.79	418.89	5.35	-45.44
CC(CNS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007577305	0	36	-1.0	-46.58	322.11	2.55	-44.03
CC(CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007577306	0	34	-1.0	-49.60	307.12	3.51	-46.09
CC(CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007577307	0	32	-1.0	-52.31	301.43	3.13	-49.18
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1F	REAL300007577308	0	37	-1.0	-47.67	301.58	4.90	-42.77
COC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1OC	REAL300007577309	0	36	-1.0	-52.96	301.92	2.70	-50.26
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007577310	0	41	-1.0	-47.65	322.49	2.98	-44.67
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577311	0	40	-1.0	-46.39	332.92	3.47	-42.92
CCCCN1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=N1	REAL300007577312	0	40	-1.0	-48.66	343.28	3.57	-45.09
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007577313	0	32	-1.0	-49.21	293.00	2.45	-46.76
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007577314	0	34	-1.0	-48.49	307.63	4.97	-43.52
CC(CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007577315	0	34	-1.0	-44.61	322.84	4.02	-40.59
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007577316	0	38	-1.0	-47.35	305.70	2.50	-44.85
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577317	0	46	-1.0	-48.95	368.40	6.91	-42.04
CC(CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007577318	0	34	-1.0	-45.09	324.66	4.76	-40.33
CC(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007577319	0	38	-1.0	-47.26	328.60	3.52	-43.74
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007577320	0	39	-1.0	-48.36	342.81	5.69	-42.67
COC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007577321	0	37	-1.0	-61.42	319.69	4.11	-57.31
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007577322	0	33	-1.0	-44.62	304.36	2.70	-41.92
CC(CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007577323	0	31	-1.0	-43.72	299.77	3.96	-39.76
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577324	0	39	-1.0	-51.78	338.84	4.93	-46.85
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007577325	0	39	-1.0	-47.83	323.30	5.96	-41.87
CC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007577326	0	34	-1.0	-45.75	316.17	3.91	-41.84
CC(CNS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007577327	0	35	-1.0	-49.15	306.80	1.21	-47.94
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577328	0	38	-1.0	-46.01	350.82	3.66	-42.35
CC(CNS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007577329	0	28	-1.0	-45.65	273.94	3.29	-42.36
CC(CNS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007577330	0	38	-1.0	-47.15	318.79	3.28	-43.87
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007577331	0	42	-1.0	-48.82	352.22	2.00	-46.82
CC(CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007577332	0	34	-1.0	-47.40	307.47	4.43	-42.97
CC(CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007577333	0	32	-1.0	-48.85	293.51	2.48	-46.37
CC(CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007577334	0	43	-1.0	-47.01	349.77	5.58	-41.43
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C12	REAL300007577335	0	39	-1.0	-57.99	325.71	5.25	-52.74
CC(CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007577336	0	36	-1.0	-48.47	307.88	2.90	-45.57
CCOCC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577337	0	38	-1.0	-48.30	330.37	3.57	-44.73
CC(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007577338	0	31	-1.0	-47.44	313.03	4.88	-42.56
CC(CNS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007577339	0	38	-1.0	-48.84	333.13	4.06	-44.78
CC(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007577340	0	41	-1.0	-48.83	340.14	3.82	-45.01
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007577341	0	39	-1.0	-46.79	343.32	5.73	-41.06
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC(C)=C1Br	REAL300007577342	0	34	-1.0	-45.10	312.32	4.63	-40.47
CC(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007577343	0	31	-1.0	-47.44	313.03	4.88	-42.56
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007577344	0	37	-1.0	-51.21	313.00	5.79	-45.42
CC(CNS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007577345	0	38	-1.0	-47.83	319.10	3.72	-44.11
CC(CNS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007577346	0	32	-1.0	-45.92	307.83	4.68	-41.24
CC(CNS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007577347	0	32	-1.0	-46.62	307.82	4.69	-41.93
CC(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007577348	0	30	-1.0	-47.76	285.58	2.28	-45.48
CC1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007577349	0	37	-1.0	-53.71	327.61	2.05	-51.66
CC1=NC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007577349	1	36	-2.0	-125.52	327.98	1.46	-124.06
CC(CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007577350	0	45	-1.0	-47.95	331.26	5.80	-42.15
CC(CNS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007577351	0	36	-1.0	-58.93	323.93	-0.30	-59.23
CC(CNS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007577352	0	32	-1.0	-55.80	301.42	1.92	-53.88
CC(CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007577353	0	38	-1.0	-47.36	335.70	5.71	-41.65
CC(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007577354	0	50	-1.0	-48.78	383.84	7.07	-41.71
COC1=CC=C(C=C(C)S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577355	0	39	-1.0	-47.30	327.96	3.75	-43.55
COC1=CSC(S(=O)(=O)NCC(C)C(=O)[O-])=C1OC	REAL300007577356	0	33	-1.0	-48.48	303.03	0.76	-47.72
CC(CNS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007577357	0	39	-1.0	-45.87	334.90	4.79	-41.08
CC(CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007577358	0	32	-1.0	-48.76	302.41	3.65	-45.11
COC1=CC(F)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300007577359	0	32	-1.0	-48.86	292.25	2.47	-46.39
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])C(F)=C1	REAL300007577359	1	31	-2.0	-118.04	290.80	2.10	-115.94
CC(CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007577360	0	32	-1.0	-51.46	298.94	2.53	-48.93
CC(CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007577361	0	37	-1.0	-46.62	333.50	3.37	-43.25
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577362	0	41	-1.0	-51.07	348.40	5.30	-45.77
CC(CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007577363	0	39	-1.0	-52.44	344.68	5.81	-46.63
CC(CNS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007577364	0	34	-1.0	-50.94	290.75	4.90	-46.04
CC(CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007577365	0	29	-1.0	-49.54	289.79	1.74	-47.80
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577366	0	39	-1.0	-48.02	337.12	4.51	-43.51
CCN1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C2CC2)=N1	REAL300007577367	0	38	-1.0	-49.12	314.87	3.01	-46.11
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007577368	0	32	-1.0	-54.63	292.64	2.27	-52.36
CC(CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007577369	0	34	-1.0	-47.98	316.90	5.68	-42.30
CC(CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007577370	0	38	-1.0	-46.84	345.55	6.82	-40.02
CC(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007577371	0	27	-1.0	-44.63	281.96	0.86	-43.77
CCC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Br	REAL300007577372	0	34	-1.0	-45.99	313.30	4.77	-41.22
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577373	0	41	-1.0	-47.16	341.02	4.09	-43.07
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577374	0	42	-1.0	-49.27	351.35	3.24	-46.03
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007577375	0	34	-1.0	-50.45	300.79	5.18	-45.27
CC(CNS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007577376	0	36	-1.0	-48.22	303.38	0.59	-47.63
CC(CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007577377	0	34	-1.0	-47.62	318.59	2.70	-44.92
CC(CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007577378	0	43	-1.0	-46.44	356.51	3.27	-43.17
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577379	0	31	-1.0	-46.28	289.35	0.59	-45.69
CC(CNS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007577380	0	38	-1.0	-45.88	316.89	0.67	-45.21
CC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007577381	0	33	-1.0	-48.53	307.40	5.14	-43.39
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007577382	0	39	-1.0	-51.00	323.10	3.47	-47.53
CC(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007577383	0	35	-1.0	-48.66	309.86	4.15	-44.51
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007577384	0	42	-1.0	-48.40	363.06	6.46	-41.94
CC(CNS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007577385	0	31	-1.0	-45.46	285.71	2.63	-42.83
CC(CNS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007577386	0	36	-1.0	-53.13	312.89	-1.31	-54.44
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300007577387	0	51	-1.0	-46.95	425.24	8.07	-38.88
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C(F)F)=C1	REAL300007577388	0	35	-1.0	-46.62	305.38	3.52	-43.10
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577389	0	34	-1.0	-44.95	310.67	1.03	-43.92
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C12	REAL300007577390	0	36	-1.0	-55.65	304.21	4.56	-51.09
CC(CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007577391	0	35	-1.0	-52.60	319.08	3.51	-49.09
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007577392	0	41	-1.0	-50.74	343.74	4.89	-45.85
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2)C=C1OC	REAL300007577393	0	43	-1.0	-46.30	368.05	5.04	-41.26
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(F)=C2)C=C1OC	REAL300007577394	0	43	-1.0	-46.04	373.32	5.14	-40.90
COC1=CC=C(C(CC(=O)[O-])NS(C)(=O)=O)C=C1OC	REAL300007577395	0	36	-1.0	-43.99	308.25	1.84	-42.15
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CS2)C=C1OC	REAL300007577396	0	40	-1.0	-45.07	359.55	4.15	-40.92
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)S2)C=C1OC	REAL300007577397	0	43	-1.0	-53.62	378.52	4.70	-48.92
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)N=C2)C=C1OC	REAL300007577398	0	43	-1.0	-56.58	369.41	2.61	-53.97
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)N(C)N=C2C)C=C1OC	REAL300007577399	0	49	-1.0	-50.51	403.29	4.05	-46.46
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)C=C1	REAL300007577400	0	49	-1.0	-46.37	410.84	6.49	-39.88
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CC(F)=C2)C=C1OC	REAL300007577401	0	46	-1.0	-53.91	391.83	5.62	-48.29
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CC2)C=C1OC	REAL300007577402	0	46	-1.0	-51.78	381.05	4.94	-46.84
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=NOC=C2)C=C1OC	REAL300007577403	0	42	-1.0	-58.75	362.26	2.88	-55.87
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)N(C)N=C2)C=C1OC	REAL300007577404	0	46	-1.0	-52.14	375.23	3.32	-48.82
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C(C)C)N=C2)C=C1OC	REAL300007577405	0	49	-1.0	-47.87	413.57	4.10	-43.77
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C(C)C)C=N2)C=C1OC	REAL300007577406	0	49	-1.0	-50.79	414.07	5.37	-45.42
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CNC(C(C)C)=N2)C=C1OC	REAL300007577407	0	49	-1.0	-56.62	402.75	4.32	-52.30
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(F)=C2C)C=C1OC	REAL300007577408	0	46	-1.0	-44.73	374.29	6.03	-38.70
COCCC(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577409	0	49	-1.0	-42.50	387.96	3.17	-39.33
CCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577410	0	48	-1.0	-44.11	385.81	4.85	-39.26
CCCN1C=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)=C1	REAL300007577411	0	49	-1.0	-61.40	412.45	5.67	-55.73
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCOCC2CC2)C=C1OC	REAL300007577412	0	50	-1.0	-46.67	417.52	4.34	-42.33
CCOCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577413	0	52	-1.0	-43.66	422.38	4.27	-39.39
CCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)=C1	REAL300007577414	0	49	-1.0	-46.80	410.94	6.47	-40.33
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2=CC=CS2)C=C1OC	REAL300007577415	0	46	-1.0	-45.08	401.96	5.62	-39.46
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC(C)=NO2)C=C1OC	REAL300007577416	0	45	-1.0	-57.17	390.60	4.17	-53.00
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCCO2)C=C1OC	REAL300007577417	0	50	-1.0	-58.02	411.73	4.14	-53.88
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2(C)CCCCC2)C=C1OC	REAL300007577418	0	55	-1.0	-51.23	413.36	6.38	-44.85
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=NN2C)C=C1OC	REAL300007577419	0	42	-1.0	-48.85	355.17	1.27	-47.58
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCC2)C=C1OC	REAL300007577420	0	49	-1.0	-51.45	397.11	5.43	-46.02
COCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)CC1	REAL300007577421	0	47	-1.0	-58.47	385.00	4.02	-54.45
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC23CCC(CC2)C3)C=C1OC	REAL300007577422	0	53	-1.0	-57.51	418.48	6.69	-50.82
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCOC2)C=C1OC	REAL300007577423	0	50	-1.0	-45.64	405.16	3.54	-42.10
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=NN(C)C=C2)C=C1OC	REAL300007577424	0	43	-1.0	-52.32	373.60	2.53	-49.79
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1OC	REAL300007577425	0	43	-1.0	-43.56	384.68	5.57	-37.99
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)C=C1	REAL300007577426	0	47	-1.0	-47.24	397.43	4.34	-42.90
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C=C2)C=C1OC	REAL300007577427	0	46	-1.0	-52.98	386.28	5.56	-47.42
CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577428	0	39	-1.0	-44.03	329.71	2.69	-41.34
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(C)=C2)C=C1OC	REAL300007577429	0	46	-1.0	-52.65	385.38	5.52	-47.13
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C=CC2=CC=CC=C2)C=C1OC	REAL300007577430	0	47	-1.0	-48.35	401.85	6.33	-42.02
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(Cl)=C2)C=C1OC	REAL300007577431	0	43	-1.0	-45.28	383.66	5.60	-39.68
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CC=C2C)C=C1OC	REAL300007577432	0	49	-1.0	-47.96	395.11	6.37	-41.59
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C(C)=C2)C=C1OC	REAL300007577433	0	49	-1.0	-53.65	402.43	6.09	-47.56
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C=C2C)C=C1OC	REAL300007577434	0	49	-1.0	-56.66	399.39	7.16	-49.50
CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577435	0	45	-1.0	-44.05	372.71	4.27	-39.78
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2OC)C=C1OC	REAL300007577436	0	47	-1.0	-49.70	389.89	5.28	-44.42
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2)C=C1OC	REAL300007577437	0	46	-1.0	-53.22	387.29	5.58	-47.64
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)ON=C2C)C=C1OC	REAL300007577438	0	45	-1.0	-45.22	379.81	4.05	-41.17
COC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2C)C=C1OC	REAL300007577438	1	44	-2.0	-114.68	383.06	3.91	-110.77
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(F)=CC=C2C)C=C1OC	REAL300007577439	0	46	-1.0	-47.58	376.18	6.14	-41.44
COC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)=C1	REAL300007577440	0	47	-1.0	-49.38	397.54	4.33	-45.05
CCC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577441	0	49	-1.0	-47.12	388.26	6.89	-40.23
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2C)C=C1OC	REAL300007577442	0	46	-1.0	-56.61	377.97	6.49	-50.12
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)C(C)=N2)C=C1OC	REAL300007577443	0	46	-1.0	-56.33	388.28	3.77	-52.56
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C(F)=C2)C=C1OC	REAL300007577444	0	46	-1.0	-44.75	394.70	5.72	-39.03
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)C=N2)C=C1OC	REAL300007577445	0	43	-1.0	-50.82	372.64	4.07	-46.75
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CN=C2)C=C1OC	REAL300007577446	0	42	-1.0	-47.09	361.97	3.28	-43.81
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2CC2)C=C1OC	REAL300007577447	0	40	-1.0	-51.49	337.82	3.47	-48.02
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2F)C=C1OC	REAL300007577448	0	46	-1.0	-58.59	399.04	6.09	-52.50
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCC2)C=C1OC	REAL300007577449	0	49	-1.0	-44.44	393.33	5.47	-38.97
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CSC=C2)C=C1OC	REAL300007577450	0	40	-1.0	-50.66	355.37	3.81	-46.85
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC(C)=C2)C=C1OC	REAL300007577451	0	49	-1.0	-47.29	411.48	6.42	-40.87
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC(F)=C2)C=C1OC	REAL300007577452	0	46	-1.0	-45.32	396.48	5.83	-39.49
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2C)C=C1OC	REAL300007577453	0	49	-1.0	-53.42	403.08	6.18	-47.24
CCCCCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577454	0	54	-1.0	-43.95	437.20	6.61	-37.34
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)N=C1C	REAL300007577455	0	49	-1.0	-55.96	410.30	4.68	-51.28
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCO2)C=C1OC	REAL300007577456	0	47	-1.0	-53.98	382.97	3.21	-50.77
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCCO2)C=C1OC	REAL300007577457	0	50	-1.0	-45.77	403.27	4.34	-41.43
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)C=N1	REAL300007577458	0	46	-1.0	-56.55	390.94	3.46	-53.09
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2C)C=C1OC	REAL300007577459	0	43	-1.0	-45.37	358.92	2.48	-42.89
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCOC2)C=C1OC	REAL300007577460	0	47	-1.0	-52.80	381.84	2.73	-50.07
CCCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577461	0	48	-1.0	-44.01	394.21	5.05	-38.96
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)OC(C)=C2)C=C1OC	REAL300007577462	0	46	-1.0	-57.75	388.57	5.46	-52.29
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CS2)C=C1OC	REAL300007577463	0	43	-1.0	-54.85	385.51	4.97	-49.88
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)C=N1	REAL300007577464	0	46	-1.0	-45.64	395.22	1.70	-43.94
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CO2)C=C1OC	REAL300007577465	0	40	-1.0	-47.17	351.30	3.12	-44.05
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C3CCCN23)C=C1OC	REAL300007577466	0	47	-1.0	-53.91	395.16	4.36	-49.55
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=COC=C2)C=C1OC	REAL300007577467	0	40	-1.0	-46.55	350.44	3.02	-43.53
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=CS2)C=C1OC	REAL300007577468	0	43	-1.0	-45.82	369.21	4.43	-41.39
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CNC=N2)C=C1OC	REAL300007577469	0	40	-1.0	-52.98	350.59	2.51	-50.47
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCCF)C=C1OC	REAL300007577470	0	42	-1.0	-42.75	357.80	3.63	-39.12
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCCCF)C=C1OC	REAL300007577471	0	45	-1.0	-44.94	379.30	4.41	-40.53
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)N=C2C)C=C1OC	REAL300007577472	0	46	-1.0	-49.18	376.84	3.40	-45.78
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)O2)C=C1OC	REAL300007577473	0	43	-1.0	-55.47	369.73	3.74	-51.73
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=NN2C)C=C1OC	REAL300007577474	0	46	-1.0	-50.57	378.23	3.26	-47.31
C=C(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577475	0	43	-1.0	-44.91	364.03	3.93	-40.98
C=CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577476	0	46	-1.0	-43.93	385.52	4.83	-39.10
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCC2)C=C1OC	REAL300007577477	0	46	-1.0	-56.64	382.05	5.13	-51.51
COC1=CN=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)=C1	REAL300007577478	0	46	-1.0	-47.41	392.04	2.46	-44.95
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCCCC2)C=C1OC	REAL300007577479	0	55	-1.0	-44.56	432.52	6.72	-37.84
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCCC2)C=C1OC	REAL300007577480	0	52	-1.0	-51.46	413.08	5.96	-45.50
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2(C)CC2)C=C1OC	REAL300007577481	0	43	-1.0	-56.94	351.28	4.85	-52.09
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=C(C)S2)C=C1OC	REAL300007577482	0	46	-1.0	-53.86	398.38	5.32	-48.54
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C(C)S2)C=C1OC	REAL300007577483	0	42	-1.0	-46.82	376.69	2.91	-43.91
COC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2N)C=C1OC	REAL300007577484	0	43	-2.0	-111.63	368.43	2.06	-109.57
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)ON=C2N)C=C1OC	REAL300007577484	1	44	-1.0	-46.30	374.76	2.52	-43.78
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=C(C)S2)C=C1OC	REAL300007577485	0	46	-1.0	-46.64	389.66	5.18	-41.46
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)N=C2)C=C1OC	REAL300007577486	0	45	-1.0	-46.63	383.56	3.88	-42.75
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC(OC)C2CC2)C=C1OC	REAL300007577487	0	50	-1.0	-58.87	412.81	5.20	-53.67
CCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)CC1	REAL300007577488	0	46	-1.0	-66.54	370.03	6.07	-60.47
CCC1=NN(C)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577489	0	49	-1.0	-56.76	401.42	4.65	-52.11
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCCC2CC2)C=C1OC	REAL300007577490	0	49	-1.0	-51.32	401.99	5.70	-45.62
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CN=C2OC)C=C1OC	REAL300007577491	0	46	-1.0	-49.70	392.20	2.46	-47.24
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C(C)N2C)C=C1OC	REAL300007577492	0	46	-1.0	-56.67	391.37	4.28	-52.39
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)SC=C2C)C=C1OC	REAL300007577493	0	46	-1.0	-44.20	387.32	5.69	-38.51
CCN1N=NC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577494	0	45	-1.0	-52.76	378.82	2.24	-50.52
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=CC=C2C)C=C1OC	REAL300007577495	0	49	-1.0	-45.25	394.88	6.62	-38.63
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=NN2C)C=C1OC	REAL300007577496	0	46	-1.0	-52.19	394.18	3.52	-48.67
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(C)=C2C)C=C1OC	REAL300007577497	0	49	-1.0	-47.78	386.75	6.57	-41.21
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)O1	REAL300007577498	0	46	-1.0	-48.02	395.12	4.69	-43.33
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2CF)C=C1OC	REAL300007577499	0	46	-1.0	-55.92	380.96	6.57	-49.35
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=CC(C)=C2)C=C1OC	REAL300007577500	0	45	-1.0	-46.37	383.92	3.85	-42.52
CCOCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300007577501	0	49	-1.0	-44.04	406.74	3.53	-40.51
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2COCCO2)C=C1OC	REAL300007577502	0	48	-1.0	-55.25	392.36	2.06	-53.19
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C=C1OC	REAL300007577503	0	53	-1.0	-51.51	434.05	7.18	-44.33
COCCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)CC1	REAL300007577504	0	50	-1.0	-45.94	397.69	4.30	-41.64
CCN1N=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)=N1	REAL300007577505	0	45	-1.0	-48.80	389.35	1.85	-46.95
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)=N1	REAL300007577505	1	44	-2.0	-127.32	391.09	1.83	-125.49
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CO2)C=C1OC	REAL300007577506	0	43	-1.0	-54.73	369.72	3.59	-51.14
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(Cl)OC=C2)C=C1OC	REAL300007577507	0	40	-1.0	-46.11	359.24	3.38	-42.73
COC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1OC	REAL300007577507	1	39	-2.0	-123.80	369.14	3.43	-120.37
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2C(C)C)C=C1OC	REAL300007577508	0	49	-1.0	-46.23	408.51	4.25	-41.98
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=CS2)C=C1OC	REAL300007577509	0	39	-1.0	-51.38	351.47	2.05	-49.33
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577510	0	37	-1.0	-56.51	300.98	6.10	-50.41
CCC(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577511	0	44	-1.0	-54.91	338.31	8.30	-46.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007577512	0	29	-1.0	-48.59	271.40	5.34	-43.25
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577513	0	39	-1.0	-60.36	312.69	6.16	-54.20
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577514	0	35	-1.0	-51.79	298.03	6.82	-44.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007577515	0	36	-1.0	-52.42	307.76	5.94	-46.48
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577516	0	38	-1.0	-60.41	320.35	3.23	-57.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007577517	0	36	-1.0	-48.10	306.49	5.50	-42.60
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300007577518	0	43	-1.0	-55.53	335.29	5.41	-50.12
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577519	0	35	-1.0	-51.73	280.46	6.37	-45.36
CN(C1CCCCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577520	0	43	-1.0	-52.68	314.19	6.01	-46.67
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577521	0	38	-1.0	-53.44	296.84	4.86	-48.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007577522	0	48	-1.0	-54.56	361.48	9.52	-45.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007577523	0	38	-1.0	-54.62	305.40	4.85	-49.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007577524	0	32	-1.0	-51.44	265.26	5.71	-45.73
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007577525	0	32	-1.0	-49.76	281.80	6.33	-43.43
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577526	0	37	-1.0	-44.10	277.25	6.57	-37.53
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007577527	0	38	-1.0	-50.00	324.85	7.70	-42.30
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577528	0	42	-1.0	-59.13	346.18	2.26	-56.87
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577529	0	43	-1.0	-58.63	342.07	7.54	-51.09
CC1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577530	0	35	-1.0	-56.98	288.49	6.42	-50.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007577531	0	38	-1.0	-54.17	306.18	6.12	-48.05
COCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577532	0	39	-1.0	-55.60	314.72	5.44	-50.16
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007577533	0	38	-1.0	-53.45	309.75	3.28	-50.17
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577534	0	41	-1.0	-68.67	344.67	3.92	-64.75
CS(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577535	0	37	-1.0	-63.64	311.85	1.72	-61.92
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300007577536	0	42	-1.0	-52.98	321.69	6.14	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007577537	0	37	-1.0	-53.46	318.67	5.79	-47.67
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007577538	0	35	-1.0	-51.24	307.92	7.03	-44.21
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007577539	0	37	-1.0	-59.36	300.66	6.08	-53.28
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300007577540	0	42	-1.0	-56.13	332.08	1.24	-54.89
CN(C1CCOCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577541	0	41	-1.0	-45.20	304.76	3.55	-41.65
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007577542	0	41	-1.0	-60.37	333.76	6.85	-53.52
CCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007577543	0	41	-1.0	-53.49	318.66	5.72	-47.77
CC(C)N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007577544	0	38	-1.0	-57.93	305.69	4.72	-53.21
CC(C)CN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577545	0	41	-1.0	-65.14	326.25	7.61	-57.53
CC(C)N1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577546	0	38	-1.0	-64.86	307.13	6.74	-58.12
CC(C)C1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1	REAL300007577547	0	38	-1.0	-53.33	304.68	4.08	-49.25
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577548	0	44	-1.0	-55.81	311.00	8.12	-47.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007577549	0	45	-1.0	-58.04	356.08	7.96	-50.08
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577550	0	40	-1.0	-70.81	326.86	5.07	-65.74
COC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300007577551	0	40	-1.0	-50.05	332.08	5.18	-44.87
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007577552	0	35	-1.0	-55.61	300.16	6.86	-48.75
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577553	0	35	-1.0	-50.46	268.55	5.83	-44.63
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007577554	0	38	-1.0	-53.28	306.89	7.78	-45.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007577555	0	37	-1.0	-49.20	313.57	7.37	-41.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007577556	0	36	-1.0	-52.26	306.42	5.33	-46.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007577557	0	39	-1.0	-53.51	320.43	7.24	-46.27
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577558	0	47	-1.0	-58.51	357.59	6.82	-51.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007577559	0	35	-1.0	-51.25	293.82	6.64	-44.61
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577560	0	43	-1.0	-61.82	346.36	5.21	-56.61
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007578001	0	42	-1.0	-51.44	355.84	6.48	-44.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007578002	0	32	-1.0	-53.55	278.85	5.65	-47.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007578003	0	39	-1.0	-54.70	309.89	7.79	-46.91
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=CS1	REAL300007578004	0	33	-1.0	-57.21	287.27	4.17	-53.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007578005	0	42	-1.0	-53.48	326.91	5.88	-47.60
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578006	0	41	-1.0	-49.42	317.78	5.24	-44.18
CN(C1CCCCCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578007	0	46	-1.0	-52.86	324.71	6.51	-46.35
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007578008	0	46	-1.0	-51.98	346.43	4.14	-47.84
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007578009	0	38	-1.0	-58.21	314.16	7.23	-50.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007578010	0	36	-1.0	-53.77	299.75	5.29	-48.48
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007578011	0	47	-1.0	-52.58	355.32	8.28	-44.30
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007578012	0	33	-1.0	-52.43	284.06	4.12	-48.31
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C12	REAL300007578013	0	43	-1.0	-76.13	334.06	7.98	-68.15
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007578014	0	40	-1.0	-50.26	315.79	5.71	-44.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007578015	0	35	-1.0	-48.74	293.66	4.35	-44.39
CCOCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007578016	0	42	-1.0	-55.85	337.45	6.39	-49.46
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578017	0	42	-1.0	-54.62	340.52	6.52	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007578018	0	45	-1.0	-57.06	347.33	6.59	-50.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007578019	0	43	-1.0	-53.62	348.75	8.57	-45.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007578020	0	35	-1.0	-61.77	284.56	6.94	-54.83
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(C)=C1Br	REAL300007578021	0	38	-1.0	-52.16	318.38	7.43	-44.73
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007578022	0	41	-1.0	-58.63	310.61	7.90	-50.73
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007578023	0	42	-1.0	-62.07	339.68	6.79	-55.28
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007578024	0	36	-1.0	-53.13	301.35	6.86	-46.27
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007578025	0	36	-1.0	-51.68	316.30	7.45	-44.23
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007578026	0	36	-1.0	-52.58	316.23	7.42	-45.16
O=C([O-])C1CCCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007578027	0	37	-1.0	-54.92	306.76	-0.39	-55.31
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007578028	0	35	-1.0	-57.82	288.22	5.71	-52.11
O=C([O-])C1CCCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007578029	0	38	-1.0	-50.91	299.69	6.43	-44.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007578030	0	34	-1.0	-52.96	291.53	5.07	-47.89
O=C([O-])C1CCCCN1S(=O)(=O)CCOC1CCOC1	REAL300007578031	0	40	-1.0	-50.71	317.66	2.89	-47.82
CC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007578032	0	41	-1.0	-64.65	329.80	5.37	-59.28
O=C([O-])C1CCCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007578033	0	49	-1.0	-55.00	339.87	8.53	-46.47
CC1(C)COC(CS(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300007578034	0	42	-1.0	-54.01	323.05	5.18	-48.83
O=C([O-])C1CCCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007578035	0	35	-1.0	-56.85	293.93	1.40	-55.45
CC(C)(CS(=O)(=O)N1CCCCC1C(=O)[O-])C(C)(F)F	REAL300007578036	0	40	-1.0	-52.06	301.93	6.11	-45.95
CS(=O)(=O)CCCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578037	0	40	-1.0	-61.37	333.40	2.53	-58.84
CC1(C)CCC(CS(=O)(=O)N2CCCCC2C(=O)[O-])OC1	REAL300007578038	0	45	-1.0	-52.83	337.65	5.85	-46.98
O=C([O-])C1CCCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007578039	0	42	-1.0	-52.16	333.47	8.00	-44.16
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007578040	0	36	-1.0	-60.92	309.98	4.77	-56.15
O=C([O-])C1CCCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007578041	0	42	-1.0	-51.46	344.77	8.56	-42.90
O=C([O-])C1CCCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007578042	0	41	-1.0	-58.20	315.54	3.62	-54.58
O=C([O-])C1CCCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007578043	0	45	-1.0	-52.77	330.44	7.69	-45.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007578044	0	36	-1.0	-52.95	304.07	7.02	-45.93
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007578045	0	54	-1.0	-57.65	390.01	9.87	-47.78
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007578046	0	43	-1.0	-53.85	339.78	6.80	-47.05
COC1=CSC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300007578047	0	37	-1.0	-50.95	311.22	4.47	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007578048	0	44	-1.0	-55.66	320.95	6.28	-49.38
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578049	0	43	-1.0	-51.67	336.96	7.39	-44.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007578050	0	36	-1.0	-56.89	306.99	6.31	-50.58
COC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300007578051	0	36	-1.0	-60.27	298.62	5.42	-54.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007578052	0	36	-1.0	-56.80	302.91	5.33	-51.47
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578053	0	38	-1.0	-55.91	300.90	5.64	-50.27
CN1C=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007578054	0	39	-1.0	-59.44	314.62	7.46	-51.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007578055	0	41	-1.0	-53.45	339.79	6.19	-47.26
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578056	0	45	-1.0	-59.78	358.34	8.18	-51.60
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007578057	0	43	-1.0	-53.32	349.14	8.54	-44.78
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578058	0	38	-1.0	-63.23	296.81	7.16	-56.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007578059	0	33	-1.0	-49.09	300.38	4.43	-44.66
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007578060	0	43	-1.0	-62.80	344.27	7.30	-55.50
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CC2)=N1	REAL300007578061	0	42	-1.0	-52.92	328.08	5.94	-46.98
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NSN=C2C=C1	REAL300007578062	0	36	-1.0	-55.96	284.89	5.34	-50.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007578063	0	38	-1.0	-54.36	322.31	8.48	-45.88
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O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007578065	0	31	-1.0	-59.29	289.00	4.38	-54.91
CCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300007578066	0	38	-1.0	-51.22	319.70	7.55	-43.67
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007578067	0	45	-1.0	-53.76	348.68	6.91	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007578068	0	29	-1.0	-46.34	269.08	5.23	-41.11
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007578069	0	46	-1.0	-61.75	367.85	6.00	-55.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007578070	0	38	-1.0	-54.36	308.83	7.90	-46.46
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578071	0	40	-1.0	-55.06	309.82	3.51	-51.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007578072	0	39	-1.0	-57.33	288.36	7.00	-50.33
CC1(C)CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300007578073	0	43	-1.0	-51.69	312.46	5.69	-46.00
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007578074	0	47	-1.0	-53.67	362.75	6.15	-47.52
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578075	0	35	-1.0	-51.02	298.70	3.30	-47.72
COC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007578076	0	38	-1.0	-50.63	308.05	3.11	-47.52
CC(C)CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007578077	0	41	-1.0	-57.99	323.87	5.79	-52.20
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578078	0	41	-1.0	-52.21	316.08	4.92	-47.29
O=C([O-])C1CCCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007578079	0	42	-1.0	-54.52	325.06	3.70	-50.82
COCC1=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=NO1	REAL300007578080	0	38	-1.0	-62.73	317.21	3.57	-59.16
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007578081	0	37	-1.0	-49.97	313.25	7.40	-42.57
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1	REAL300007578082	0	43	-1.0	-61.12	334.02	6.84	-54.28
CC(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578083	0	38	-1.0	-52.09	303.94	4.54	-47.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007578084	0	39	-1.0	-52.54	303.28	5.71	-46.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007578085	0	39	-1.0	-59.00	316.83	6.36	-52.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007578086	0	34	-1.0	-59.72	289.83	5.38	-54.34
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007578087	0	37	-1.0	-58.37	296.06	6.21	-52.16
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C(C)C	REAL300007578088	0	41	-1.0	-61.34	326.51	5.43	-55.91
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007578089	0	46	-1.0	-54.03	369.26	9.31	-44.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007578090	0	37	-1.0	-64.92	294.94	6.73	-58.19
O=C([O-])C1CCCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007578091	0	35	-1.0	-45.57	289.28	5.07	-40.50
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578092	0	40	-1.0	-52.64	311.80	1.08	-51.56
O=C([O-])C1CCCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007578093	0	39	-1.0	-52.11	291.28	3.70	-48.41
N#CC1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300007578094	0	38	-1.0	-52.44	298.56	5.08	-47.36
COC1=CC=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007578095	0	35	-1.0	-58.94	287.24	3.86	-55.08
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)F)=C1	REAL300007578096	0	39	-1.0	-59.71	309.33	5.93	-53.78
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1	REAL300007578097	0	35	-1.0	-59.30	287.04	3.83	-55.47
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578098	0	38	-1.0	-51.20	321.05	3.78	-47.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007578099	0	37	-1.0	-55.33	295.74	5.75	-49.58
CCOC1=CC=CN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007578100	0	38	-1.0	-65.86	307.77	5.50	-60.36
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C12	REAL300007578101	0	40	-1.0	-62.40	313.68	7.12	-55.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007578102	0	36	-1.0	-55.17	296.45	5.70	-49.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007578103	0	34	-1.0	-58.13	290.01	5.42	-52.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007578104	0	39	-1.0	-50.43	335.09	6.70	-43.73
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007578105	0	45	-1.0	-58.08	340.63	7.45	-50.63
O=C([O-])C1=CC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C=C1	REAL300007578106	0	44	-1.0	-52.51	379.30	8.69	-43.82
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=C1	REAL300007578107	0	44	-1.0	-61.05	379.84	8.67	-52.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578108	0	47	-1.0	-61.55	385.94	9.06	-52.49
CC1=CC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C=C1C(=O)[O-]	REAL300007578109	0	47	-1.0	-60.49	395.88	9.21	-51.28
O=C([O-])C1=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C43)CC2)C=CS1	REAL300007578110	0	41	-1.0	-61.91	363.72	8.30	-53.61
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=C1	REAL300007578111	0	44	-1.0	-61.05	379.84	8.67	-52.38
O=C([O-])C1=CC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C=C1	REAL300007578112	0	44	-1.0	-52.51	379.30	8.69	-43.82
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578113	0	44	-1.0	-73.20	370.57	9.72	-63.48
O=C([O-])C1=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=CN1	REAL300007578114	0	42	-1.0	-58.96	368.35	6.40	-52.56
O=C([O-])CN1C=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C=N1	REAL300007578115	0	44	-1.0	-56.76	384.40	6.79	-49.97
O=C([O-])C1=CC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C43)CC2)S1	REAL300007578116	0	41	-1.0	-51.20	371.64	7.82	-43.38
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578117	0	41	-1.0	-61.19	357.24	5.62	-55.57
O=C([O-])C1CCCN(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C1	REAL300007578118	0	49	-1.0	-51.71	397.85	7.84	-43.87
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578119	0	44	-1.0	-73.20	370.57	9.72	-63.48
O=C([O-])C1=CC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C43)CC2)O1	REAL300007578120	0	41	-1.0	-58.53	364.54	7.04	-51.49
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)O1	REAL300007578121	0	44	-1.0	-56.59	384.46	7.58	-49.01
O=C([O-])C1CCN(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)CC1	REAL300007578122	0	49	-1.0	-50.47	398.28	7.85	-42.62
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=C1	REAL300007578123	0	47	-1.0	-65.48	403.11	9.41	-56.07
O=C([O-])C1=CC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C43)CC2)O1	REAL300007578124	0	41	-1.0	-58.53	364.54	7.04	-51.49
O=C([O-])C1=CSC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C43)CC2)=C1	REAL300007578125	0	41	-1.0	-55.53	373.05	7.70	-47.83
CC1=CC=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=C1C(=O)[O-]	REAL300007578126	0	47	-1.0	-57.63	386.95	9.54	-48.09
O=C([O-])C1=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C43)CC2)=CS1	REAL300007578127	0	41	-1.0	-59.13	371.49	7.70	-51.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578128	0	47	-1.0	-56.13	387.63	9.28	-46.85
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C=C1	REAL300007578129	0	47	-1.0	-53.15	401.49	9.45	-43.70
O=C([O-])C1=COC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C43)CC2)=C1	REAL300007578130	0	41	-1.0	-52.83	364.37	6.81	-46.02
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=C1	REAL300007578131	0	47	-1.0	-56.84	402.01	9.43	-47.41
CC1=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C=C(C(=O)[O-])O1	REAL300007578132	0	44	-1.0	-58.23	376.24	7.59	-50.64
O=C([O-])C1=CN=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=C1	REAL300007578133	0	43	-1.0	-55.18	375.01	6.86	-48.32
O=C([O-])C1=NSC=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578134	0	40	-1.0	-64.51	360.21	6.85	-57.66
O=C([O-])C1=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)SC=N1	REAL300007578135	0	40	-1.0	-71.39	361.75	6.50	-64.89
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578136	0	43	-1.0	-68.46	365.54	7.76	-60.70
O=C([O-])CCCCCS(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578137	0	49	-1.0	-57.96	408.37	8.89	-49.07
O=C([O-])C1=CC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C=N1	REAL300007578138	0	43	-1.0	-57.81	375.70	6.88	-50.93
CC1=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=CC=C1C(=O)[O-]	REAL300007578139	0	47	-1.0	-55.22	395.90	9.22	-46.00
CN(CCC(=O)[O-])S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578140	0	45	-1.0	-53.90	379.34	6.86	-47.04
CC1=CC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C=C1C(=O)[O-]	REAL300007578141	0	47	-1.0	-60.49	395.88	9.21	-51.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578142	0	47	-1.0	-61.55	385.94	9.06	-52.49
O=C([O-])CC1(CS(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)CC1	REAL300007578143	0	47	-1.0	-56.43	390.91	8.53	-47.90
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=C1	REAL300007578144	0	47	-1.0	-56.84	402.01	9.43	-47.41
CC1=NC=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)C=C1C(=O)[O-]	REAL300007578145	0	46	-1.0	-52.59	391.29	7.39	-45.20
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578146	0	44	-1.0	-59.92	368.39	6.92	-53.00
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=C1	REAL300007578147	0	44	-1.0	-59.86	382.60	7.64	-52.22
O=C([O-])C1=C(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C43)CC2)OC=C1	REAL300007578148	0	41	-1.0	-63.36	361.18	7.08	-56.28
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578149	0	41	-1.0	-61.19	357.24	5.62	-55.57
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578150	0	44	-1.0	-59.92	368.39	6.92	-53.00
O=C([O-])C1=CC=NC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=C1	REAL300007578151	0	43	-1.0	-52.05	375.58	6.82	-45.23
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578152	0	47	-1.0	-59.39	393.63	9.81	-49.58
O=C([O-])C1=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=CC=N1	REAL300007578153	0	43	-1.0	-63.48	375.89	6.90	-56.58
O=C([O-])C1=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=NN1	REAL300007578154	0	41	-1.0	-51.66	363.26	4.94	-46.72
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578155	0	44	-1.0	-63.07	381.33	6.45	-56.62
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578156	0	47	-1.0	-67.57	392.85	10.18	-57.39
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578157	0	44	-1.0	-59.38	376.01	8.03	-51.35
O=C([O-])C1CCCCN1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578158	0	49	-1.0	-58.99	383.24	8.35	-50.64
O=C([O-])C1=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=NN1	REAL300007578159	0	41	-1.0	-51.66	363.26	4.94	-46.72
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578160	0	41	-1.0	-61.19	357.24	5.62	-55.57
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578161	0	44	-1.0	-59.03	359.53	8.36	-50.67
CC1=CC(S(=O)(=O)N2CC=C(C3=CNC4=CC=CC=C34)CC2)=CN=C1C(=O)[O-]	REAL300007578162	0	46	-1.0	-59.02	392.50	7.43	-51.59
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578163	0	47	-1.0	-67.57	392.85	10.18	-57.39
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300007578164	0	43	-1.0	-64.32	367.19	8.03	-56.29
O=C([O-])CCCS(=O)(=O)NCC(C1=CNC2=CC=CC=C12)C1=CC=CC=C1	REAL300007578165	0	48	-1.0	-56.08	405.60	7.73	-48.35
O=C([O-])CCCS(=O)(=O)NCC(C1=CNC2=CC=CC=C12)C1=CC=CC=C1	REAL300007578166	0	48	-1.0	-56.08	405.60	7.73	-48.35
O=C([O-])C1(S(=O)(=O)NCC(C2=CNC3=CC=CC=C23)C2=CC=CC=C2)CCC1	REAL300007578167	0	49	-1.0	-50.08	404.36	8.33	-41.75
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC(C2=CNC3=CC=CC=C23)C2=CC=CC=C2)C1	REAL300007578168	0	49	-1.0	-57.64	409.59	8.25	-49.39
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC(C1=CNC2=CC=CC=C12)C1=CC=CC=C1	REAL300007578169	0	49	-1.0	-58.02	416.26	8.43	-49.59
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC(C1=CNC2=CC=CC=C12)C1=CC=CC=C1	REAL300007578170	0	49	-1.0	-62.94	399.89	8.85	-54.09
CCCN(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007578171	0	38	-1.0	-56.04	319.94	5.49	-50.55
CCCN(CC)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007578172	0	34	-1.0	-58.94	304.09	7.10	-51.84
CCCN(CC)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007578173	0	38	-1.0	-47.59	326.50	5.81	-41.78
CCCN(CC)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300007578174	0	38	-1.0	-44.10	326.87	6.38	-37.72
CCCN(CC)S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007578175	0	41	-1.0	-53.08	350.40	5.23	-47.85
CCCN(CC)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007578176	0	37	-1.0	-56.55	326.07	7.58	-48.97
CCCN(CC)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007578177	0	37	-1.0	-53.80	313.42	7.41	-46.39
CCCN(CC)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300007578178	0	39	-1.0	-41.78	331.04	6.41	-35.37
CCCN(CC)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007578179	0	34	-1.0	-47.08	309.52	5.89	-41.19
CCCN(CC)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007578180	0	34	-1.0	-47.04	314.09	6.00	-41.04
CCCN(CC)S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300007578181	0	38	-1.0	-57.94	322.62	5.60	-52.34
CCCN(CC)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007578182	0	39	-1.0	-56.15	326.34	6.02	-50.13
CCCN(CC)S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007578183	0	41	-1.0	-53.08	350.40	5.23	-47.85
CCCN(CC)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007578184	0	34	-1.0	-47.08	309.52	5.89	-41.19
CCCN(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300007578185	0	37	-1.0	-50.72	313.75	6.27	-44.45
CCCN(CC)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300007578186	0	40	-1.0	-50.44	342.28	6.87	-43.57
CCCN(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007578187	0	38	-1.0	-56.04	319.94	5.49	-50.55
CCCN(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300007578188	0	38	-1.0	-46.15	322.32	5.53	-40.62
CCCN(CC)S(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300007578189	0	35	-1.0	-48.18	314.02	3.96	-44.22
CCCN(CC)S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300007578190	0	37	-1.0	-47.41	330.64	6.55	-40.86
CCCN(CC)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007578191	0	39	-1.0	-48.34	332.17	6.20	-42.14
CCCN(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007578192	0	37	-1.0	-46.67	325.43	6.32	-40.35
CCCN(CC)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007578193	0	41	-1.0	-49.76	339.32	7.35	-42.41
CCCN(CC)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007578194	0	36	-1.0	-60.51	315.54	7.23	-53.28
CCCN(CC)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007578195	0	37	-1.0	-49.73	333.19	7.03	-42.70
CCCN(CC)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007578196	0	36	-1.0	-51.83	314.85	7.25	-44.58
CCCN(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300007578197	0	38	-1.0	-48.32	319.97	5.50	-42.82
CCCN(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007578198	0	38	-1.0	-53.40	322.60	5.61	-47.79
CCCN(CC)S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300007578199	0	41	-1.0	-65.20	335.35	5.78	-59.42
CCCN(CC)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007578200	0	37	-1.0	-47.96	322.94	6.34	-41.62
CCCN(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007578201	0	37	-1.0	-45.47	331.50	6.38	-39.09
CCCN(CC)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007578202	0	43	-1.0	-49.48	348.50	7.16	-42.32
CCCN(CC)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007578203	0	40	-1.0	-53.65	332.17	7.83	-45.82
CCCN(CC)S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007578204	0	34	-1.0	-58.89	308.65	7.21	-51.68
CCCN(CC)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007578205	0	34	-1.0	-50.47	307.86	5.92	-44.55
CCCN(CC)S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300007578206	0	38	-1.0	-63.71	316.75	5.88	-57.83
CCCN(CC)S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300007578207	0	46	-1.0	-50.01	376.70	6.55	-43.46
CCCN(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007578208	0	36	-2.0	-135.22	322.19	6.48	-128.74
CCCN(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300007578209	0	41	-1.0	-47.58	341.19	5.62	-41.96
CCCN(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007578210	0	40	-1.0	-51.66	328.79	7.81	-43.85
CCCN(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OCC	REAL300007578211	0	41	-1.0	-55.66	341.57	6.40	-49.26
CCCN(CC)S(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300007578212	0	38	-1.0	-68.04	315.73	5.88	-62.16
CCCN(CC)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007578213	0	40	-1.0	-50.91	341.19	7.78	-43.13
CCCN(CC)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007578214	0	40	-1.0	-71.52	331.85	8.87	-62.65
CCCN(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007578215	0	37	-1.0	-42.00	319.45	6.71	-35.29
CCCN(CC)S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007578216	0	34	-1.0	-47.61	324.96	6.12	-41.49
CCCN(CC)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007578217	0	37	-1.0	-66.09	319.14	4.04	-62.05
CCCN(CC)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007578218	0	37	-1.0	-44.91	320.93	6.70	-38.21
CCCN(CC)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007578219	0	31	-1.0	-55.51	298.69	5.91	-49.60
CCCN(CC)S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300007578220	0	41	-1.0	-58.71	344.47	6.51	-52.20
CCCN(CC)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007578221	0	41	-1.0	-48.18	338.24	7.27	-40.91
CCCN(CC)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007578222	0	39	-1.0	-54.11	337.03	5.91	-48.20
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007578223	0	41	-1.0	-55.91	336.49	6.02	-49.89
CCCC(C)N(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007578224	0	37	-1.0	-60.01	320.45	7.71	-52.30
CCCC(C)N(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007578225	0	41	-1.0	-47.63	343.25	6.47	-41.16
CCCC(C)N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300007578226	0	41	-1.0	-44.89	348.19	7.16	-37.73
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007578227	0	43	-1.0	-50.07	342.68	7.54	-42.53
CCCC(C)N(C)S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007578228	0	44	-1.0	-53.58	368.09	5.86	-47.72
CCCC(C)N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007578229	0	40	-1.0	-57.11	338.05	8.19	-48.92
CCCC(C)N(C)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007578230	0	40	-1.0	-53.40	331.22	8.16	-45.24
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300007578231	0	42	-1.0	-41.94	351.31	7.19	-34.75
CCCC(C)N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007578232	0	37	-1.0	-47.30	329.74	6.66	-40.64
CCCC(C)N(C)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007578233	0	37	-1.0	-47.36	334.30	6.77	-40.59
CCCC(C)N(C)S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300007578234	0	41	-1.0	-58.58	339.48	6.26	-52.32
CCCC(C)N(C)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007578235	0	42	-1.0	-51.96	340.66	6.41	-45.55
CCCC(C)N(C)S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007578236	0	44	-1.0	-53.58	368.09	5.86	-47.72
CCCC(C)N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007578237	0	37	-1.0	-47.30	329.74	6.66	-40.64
CCCC(C)N(C)S(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300007578238	0	37	-1.0	-51.48	305.07	6.34	-45.14
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300007578239	0	40	-1.0	-44.39	339.56	7.42	-36.97
CCCC(C)N(C)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300007578240	0	43	-1.0	-51.03	352.85	7.21	-43.82
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007578241	0	41	-1.0	-55.91	336.49	6.02	-49.89
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300007578242	0	41	-1.0	-46.49	341.47	6.34	-40.15
CCCC(C)N(C)S(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300007578243	0	38	-1.0	-48.15	331.31	4.61	-43.54
CCCC(C)N(C)S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300007578244	0	40	-1.0	-47.62	350.86	7.31	-40.31
CCCC(C)N(C)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007578245	0	42	-1.0	-48.54	349.84	6.82	-41.72
CCCC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007578246	0	40	-1.0	-46.64	342.31	6.99	-39.65
CCCC(C)N(C)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007578247	0	44	-1.0	-52.78	352.00	7.75	-45.03
CCCC(C)N(C)S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300007578248	0	40	-1.0	-48.84	338.87	6.04	-42.80
CCCC(C)N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007578249	0	39	-1.0	-61.68	331.48	7.92	-53.76
CCCC(C)N(C)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007578250	0	40	-1.0	-50.86	342.94	7.40	-43.46
CCCC(C)N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007578251	0	39	-1.0	-52.39	329.06	7.84	-44.55
CCCC(C)N(C)S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300007578252	0	39	-1.0	-47.49	317.41	4.56	-42.93
CCCC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300007578253	0	41	-1.0	-48.54	332.98	6.06	-42.48
CCCC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007578254	0	41	-1.0	-53.53	339.47	6.27	-47.26
CCCC(C)N(C)S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300007578255	0	44	-1.0	-65.26	353.02	6.60	-58.66
CCCC(C)N(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007578256	0	40	-1.0	-50.83	339.78	7.01	-43.82
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007578257	0	40	-1.0	-45.61	351.72	7.14	-38.47
CCCC(C)N(C)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007578258	0	46	-1.0	-49.74	366.17	7.80	-41.94
CCCC(C)N(C)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007578259	0	43	-1.0	-50.40	344.37	8.20	-42.20
CCCC(C)N(C)S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007578260	0	37	-1.0	-60.01	325.02	7.82	-52.19
CCCC(C)N(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007578261	0	37	-1.0	-50.22	324.71	6.58	-43.64
CCCC(C)N(C)S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300007578262	0	41	-1.0	-64.90	333.10	6.52	-58.38
CCCC(C)N(C)S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300007578263	0	49	-1.0	-50.11	395.82	7.36	-42.75
CCCC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007578264	0	39	-2.0	-134.95	339.07	7.15	-127.80
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300007578265	0	44	-1.0	-47.46	357.39	6.29	-41.17
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007578266	0	34	-1.0	-45.87	311.85	4.85	-41.02
CCCC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007578267	0	43	-1.0	-51.28	342.12	8.04	-43.24
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OCC	REAL300007578268	0	44	-1.0	-55.54	352.96	6.92	-48.62
CCCC(C)N(C)S(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300007578269	0	41	-1.0	-69.06	331.34	6.60	-62.46
CCCC(C)N(C)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007578270	0	43	-1.0	-51.41	350.93	8.17	-43.24
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300007578271	0	37	-1.0	-49.56	323.47	5.91	-43.65
CCCC(C)N(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007578272	0	43	-1.0	-52.60	337.27	8.55	-44.05
CCCC(C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007578273	0	40	-1.0	-47.24	327.90	7.36	-39.88
CCCC(C)N(C)S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007578274	0	37	-1.0	-48.27	333.78	6.51	-41.76
CCCC(C)N(C)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007578275	0	40	-1.0	-60.99	342.21	4.75	-56.24
CCCC(C)N(C)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007578276	0	40	-1.0	-45.07	330.03	6.88	-38.19
CCCC(C)N(C)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007578277	0	34	-1.0	-42.00	306.93	6.08	-35.92
CCCC(C)N(C)S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300007578278	0	39	-1.0	-50.90	318.37	4.61	-46.29
CCCC(C)N(C)S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300007578279	0	44	-1.0	-59.07	361.34	7.16	-51.91
CCCC(C)N(C)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007578280	0	44	-1.0	-48.51	358.45	8.04	-40.47
CCCC(C)N(C)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007578281	0	42	-1.0	-54.49	346.83	6.28	-48.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C	REAL300007578282	0	38	-1.0	-55.54	310.19	5.47	-50.07
CC(C)CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007578283	0	34	-1.0	-58.98	299.15	6.91	-52.07
CC(C)CN(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007578284	0	38	-1.0	-47.71	319.51	5.88	-41.83
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C	REAL300007578285	0	38	-1.0	-44.19	324.34	6.15	-38.04
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC(C)C)=C1	REAL300007578286	0	41	-1.0	-53.35	343.50	5.31	-48.04
CC(C)CN(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007578287	0	37	-1.0	-56.58	321.08	7.63	-48.95
CC(C)CN(C)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007578288	0	37	-1.0	-66.89	307.98	7.96	-58.93
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC(C)C)C=C1[N+](=O)[O-]	REAL300007578289	0	39	-1.0	-41.77	329.06	6.14	-35.63
CC(C)CN(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007578290	0	34	-1.0	-47.08	305.16	6.10	-40.98
CC(C)CN(C)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007578291	0	34	-1.0	-47.08	309.73	6.21	-40.87
COC1=CC=C(S(=O)(=O)N(C)CC(C)C)C=C1C(=O)[O-]	REAL300007578292	0	38	-1.0	-58.21	317.25	5.25	-52.96
CC(C)CN(C)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007578293	0	39	-1.0	-51.82	316.13	5.29	-46.53
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC(C)C)=C1	REAL300007578294	0	41	-1.0	-53.35	343.50	5.31	-48.04
CC(C)CN(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007578295	0	34	-1.0	-47.08	305.16	6.10	-40.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C	REAL300007578296	0	37	-1.0	-50.82	310.82	6.35	-44.47
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N(C)CC(C)C)C=C21	REAL300007578297	0	40	-1.0	-50.53	338.25	6.46	-44.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C	REAL300007578298	0	38	-1.0	-55.54	310.19	5.47	-50.07
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C	REAL300007578299	0	38	-1.0	-45.99	319.42	5.30	-40.69
COC1=C(S(=O)(=O)N(C)CC(C)C)SC(C(=O)[O-])=C1	REAL300007578300	0	35	-1.0	-47.48	310.33	4.17	-43.31
CC1=C(Br)C=C(S(=O)(=O)N(C)CC(C)C)C=C1C(=O)[O-]	REAL300007578301	0	37	-1.0	-47.75	328.66	6.28	-41.47
CC(C)CN(C)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007578302	0	39	-1.0	-48.38	324.65	6.30	-42.08
CC(C)CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007578303	0	37	-1.0	-46.75	317.95	6.44	-40.31
CC(C)CN(C)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007578304	0	41	-1.0	-52.29	334.57	7.48	-44.81
CC(C)CN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007578305	0	36	-1.0	-61.13	311.27	7.34	-53.79
CC(C)CN(C)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007578306	0	37	-1.0	-50.68	325.88	6.57	-44.11
CC(C)CN(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007578307	0	36	-1.0	-51.91	310.61	7.06	-44.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)CC(C)C	REAL300007578308	0	38	-1.0	-48.16	310.23	5.48	-42.68
COC1=CC(S(=O)(=O)N(C)CC(C)C)=CC=C1C(=O)[O-]	REAL300007578309	0	38	-1.0	-53.85	314.93	5.16	-48.69
COC1=CC=C(S(=O)(=O)N(C)CC(C)C)C(CC(=O)[O-])=C1	REAL300007578310	0	41	-1.0	-64.06	331.61	6.11	-57.95
CC(C)CN(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007578311	0	37	-1.0	-49.01	315.28	5.90	-43.11
CC(C)CN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007578312	0	37	-1.0	-45.41	326.54	6.63	-38.78
CC(C)CN(C)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007578313	0	43	-1.0	-50.07	345.85	6.82	-43.25
CC(C)CN(C)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007578314	0	40	-1.0	-51.15	319.28	7.03	-44.12
CC(C)CN(C)S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007578315	0	34	-1.0	-59.18	303.08	7.32	-51.86
CC(C)CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007578316	0	34	-1.0	-50.51	300.36	6.03	-44.48
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)CC(C)C)=C1	REAL300007578317	0	38	-1.0	-63.94	311.15	6.03	-57.91
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N(C)CC(C)C)=C1OC	REAL300007578318	0	46	-1.0	-49.67	368.34	6.76	-42.91
CC(C)CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007578319	0	36	-2.0	-134.08	316.97	6.13	-127.95
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C	REAL300007578320	0	41	-1.0	-46.86	338.47	5.43	-41.43
CC(C)CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007578321	0	40	-1.0	-50.29	321.63	7.25	-43.04
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C	REAL300007578322	0	41	-1.0	-55.17	331.83	6.38	-48.79
COC1=CC=C(S(=O)(=O)N(C)CC(C)C)C(C(=O)[O-])=C1	REAL300007578323	0	38	-1.0	-67.98	310.34	5.52	-62.46
CC(C)CN(C)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007578324	0	40	-1.0	-51.31	336.84	7.41	-43.90
CC(C)CN(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007578325	0	40	-1.0	-71.35	326.26	8.97	-62.38
CC(C)CN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007578326	0	37	-1.0	-42.08	318.40	6.72	-35.36
CC(C)CN(C)S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007578327	0	34	-1.0	-47.66	318.16	6.17	-41.49
CC(C)CN(C)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007578328	0	37	-1.0	-61.07	315.74	4.23	-56.84
CC(C)CN(C)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007578329	0	37	-1.0	-44.64	316.55	6.44	-38.20
CC(C)CN(C)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007578330	0	31	-1.0	-55.58	291.65	5.89	-49.69
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C)C=C1C(=O)[O-]	REAL300007578331	0	41	-1.0	-58.25	339.10	6.16	-52.09
CC(C)CN(C)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007578332	0	41	-1.0	-48.39	333.27	7.52	-40.87
CC(C)CN(C)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007578333	0	39	-1.0	-54.44	329.59	6.02	-48.42
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300007578334	0	39	-1.0	-55.92	323.54	6.47	-49.45
CCC(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578335	0	46	-1.0	-53.38	355.46	8.31	-45.07
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300007578336	0	31	-1.0	-38.89	292.60	5.22	-33.67
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300007578337	0	41	-1.0	-50.38	314.04	6.83	-43.55
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300007578338	0	37	-1.0	-51.67	305.73	6.65	-45.02
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007578339	0	38	-1.0	-56.74	315.77	6.02	-50.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007578340	0	40	-1.0	-58.96	337.48	3.24	-55.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007578341	0	38	-1.0	-43.50	326.82	5.79	-37.71
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300007578342	0	45	-1.0	-53.83	340.20	5.19	-48.64
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300007578343	0	37	-1.0	-40.85	306.63	6.44	-34.41
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300007578344	0	40	-1.0	-55.43	308.78	4.08	-51.35
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007578345	0	50	-1.0	-53.08	378.64	9.53	-43.55
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007578346	0	40	-1.0	-45.74	327.96	4.75	-40.99
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007578347	0	34	-1.0	-53.22	282.94	5.79	-47.43
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007578348	0	34	-1.0	-43.50	302.09	6.61	-36.89
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300007578349	0	39	-1.0	-54.35	302.37	7.58	-46.77
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007578350	0	40	-1.0	-54.36	339.69	7.90	-46.46
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007578351	0	44	-1.0	-66.42	362.67	1.93	-64.49
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300007578352	0	45	-1.0	-52.56	359.11	7.56	-45.00
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300007578353	0	37	-1.0	-53.43	304.60	6.45	-46.98
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007578354	0	40	-1.0	-46.97	323.81	5.96	-41.01
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300007578355	0	41	-1.0	-54.55	331.86	5.45	-49.10
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=N1	REAL300007578356	0	40	-1.0	-49.78	325.77	3.27	-46.51
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007578357	0	43	-1.0	-66.90	361.76	3.92	-62.98
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007578358	0	39	-1.0	-70.66	327.70	1.44	-69.22
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300007578359	0	44	-1.0	-53.46	327.31	5.92	-47.54
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007578360	0	39	-1.0	-56.61	330.84	6.39	-50.22
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007578361	0	37	-1.0	-56.04	323.77	6.74	-49.30
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007578362	0	39	-1.0	-53.93	319.08	6.16	-47.77
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300007578363	0	43	-1.0	-55.74	343.47	6.88	-48.86
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300007578364	0	43	-1.0	-52.43	331.59	4.99	-47.44
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300007578365	0	40	-1.0	-52.00	320.64	4.74	-47.26
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300007578366	0	43	-1.0	-46.45	348.29	6.54	-39.91
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300007578367	0	40	-1.0	-53.35	329.52	5.99	-47.36
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300007578368	0	40	-1.0	-57.98	324.34	4.81	-53.17
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007578369	0	46	-1.0	-44.27	325.76	8.08	-36.19
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007578370	0	42	-1.0	-46.73	347.03	5.39	-41.34
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300007578371	0	42	-1.0	-43.03	344.56	5.73	-37.30
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300007578372	0	37	-1.0	-51.64	317.94	6.50	-45.14
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C	REAL300007578373	0	37	-1.0	-51.92	289.83	6.08	-45.84
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007578374	0	40	-1.0	-52.16	329.65	7.76	-44.40
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007578375	0	39	-1.0	-36.66	326.47	7.29	-29.37
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007578376	0	38	-1.0	-53.30	323.91	4.96	-48.34
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007578377	0	41	-1.0	-47.16	329.67	7.92	-39.24
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300007578378	0	49	-1.0	-55.15	364.86	6.06	-49.09
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007578379	0	37	-1.0	-52.83	308.92	6.59	-46.24
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300007578380	0	45	-1.0	-54.21	347.70	5.89	-48.32
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CC=C21	REAL300007579001	0	45	-1.0	-56.54	382.19	7.77	-48.77
CC1=CC=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007579002	0	44	-1.0	-56.58	372.72	8.56	-48.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CC=C21	REAL300007579003	0	44	-1.0	-59.12	369.19	8.88	-50.24
CC(NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1=CC=CC2=CC=CC=C21	REAL300007579004	0	44	-1.0	-50.16	360.30	7.76	-42.40
CC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007579005	0	44	-1.0	-53.53	375.08	8.69	-44.84
COC1=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)SC(C(=O)[O-])=C1	REAL300007579006	0	42	-1.0	-49.67	373.43	6.26	-43.41
CC(NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1)C1=CC=CC2=CC=CC=C21	REAL300007579007	0	46	-1.0	-51.52	389.74	8.59	-42.93
CC(NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300007579008	0	48	-1.0	-54.64	396.42	9.73	-44.91
CCC1=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300007579009	0	44	-1.0	-54.92	376.86	7.81	-47.11
CC1=NC=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007579010	0	43	-1.0	-49.01	363.57	6.65	-42.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CC=C21	REAL300007579011	0	45	-1.0	-51.37	368.98	7.86	-43.51
COC1=CC(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300007579012	0	45	-1.0	-55.30	377.54	7.92	-47.38
COC1=CC=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)C(CC(=O)[O-])=C1	REAL300007579013	0	48	-1.0	-59.33	395.29	8.47	-50.86
CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=CC=CC2=CC=CC=C21	REAL300007579014	0	44	-1.0	-52.52	377.85	8.66	-43.86
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC2=CC=CC=C21	REAL300007579015	0	50	-1.0	-51.56	403.39	9.48	-42.08
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CC2=CC=CC=C21	REAL300007579016	0	41	-1.0	-54.57	344.09	6.23	-48.34
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)=C1	REAL300007579017	0	41	-1.0	-53.52	356.83	6.92	-46.60
CC(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007579018	0	41	-1.0	-53.32	365.41	8.31	-45.01
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=CC2=CC=CC=C21	REAL300007579019	0	38	-1.0	-55.28	328.50	6.77	-48.51
CC(NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=CC=CC2=CC=CC=C21	REAL300007579020	0	41	-1.0	-47.57	336.02	6.96	-40.61
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)=C1	REAL300007579021	0	45	-1.0	-50.69	371.90	8.10	-42.59
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579022	0	38	-1.0	-54.29	327.24	4.92	-49.37
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CC2=CC=CC=C21	REAL300007579023	0	41	-1.0	-54.57	344.09	6.23	-48.34
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007579024	0	43	-2.0	-139.16	377.14	8.80	-130.36
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CC=C21	REAL300007579025	0	48	-1.0	-56.56	398.22	8.02	-48.54
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC2=CC=CC=C21	REAL300007579026	0	40	-1.0	-49.89	346.49	5.93	-43.96
CC(NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579027	0	44	-1.0	-58.89	366.00	9.06	-49.83
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC2=CC=CC=C21	REAL300007579028	0	38	-1.0	-48.30	353.85	6.60	-41.70
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CC=C21	REAL300007579029	0	48	-1.0	-57.96	406.51	8.72	-49.24
COC1=CC=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C1	REAL300007579030	0	45	-1.0	-53.20	372.05	8.08	-45.12
CC(NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007579031	0	40	-1.0	-57.14	346.35	6.08	-51.06
CC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007579032	0	38	-1.0	-45.37	333.86	4.07	-41.30
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=CC2=CC=CC=C21	REAL300007579033	0	41	-1.0	-57.36	355.24	5.69	-51.67
CC(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300007579034	0	41	-1.0	-52.40	340.16	6.94	-45.46
CC(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300007579035	0	44	-1.0	-56.56	354.46	7.43	-49.13
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)S1	REAL300007579036	0	41	-1.0	-51.76	363.76	7.63	-44.13
CC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579037	0	44	-1.0	-58.24	366.07	9.16	-49.08
CC(NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1=CC=CC2=CC=CC=C21	REAL300007579038	0	44	-1.0	-67.55	376.71	6.40	-61.15
CC(NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1=CC=CC2=CC=CC=C21	REAL300007579039	0	44	-1.0	-46.58	376.94	9.00	-37.58
CC(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579040	0	41	-1.0	-56.27	346.15	7.18	-49.09
CC(NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579041	0	46	-1.0	-57.04	355.00	7.98	-49.06
CC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007579042	0	38	-1.0	-45.37	333.86	4.07	-41.30
CC(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579043	0	43	-1.0	-48.26	342.35	6.56	-41.70
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579044	0	38	-1.0	-54.29	327.24	4.92	-49.37
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1=CC=CC2=CC=CC=C21	REAL300007579045	0	38	-1.0	-43.89	353.37	8.32	-35.57
CC(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579046	0	41	-1.0	-59.92	329.31	7.56	-52.36
CC1=CC(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)=CN=C1C(=O)[O-]	REAL300007579047	0	43	-1.0	-53.83	365.71	6.67	-47.16
CC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579048	0	44	-1.0	-58.24	366.07	9.16	-49.08
CCOC1=CC=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007579049	0	48	-1.0	-61.66	402.02	8.89	-52.77
CC(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1=CC=CC2=CC=CC=C21	REAL300007579050	0	48	-1.0	-53.43	398.36	9.80	-43.63
CC(NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007579051	0	40	-1.0	-46.04	338.52	7.00	-39.04
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579052	0	37	-1.0	-52.19	316.90	5.47	-46.72
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579053	0	44	-1.0	-48.83	352.77	7.58	-41.25
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007579054	0	29	-1.0	-46.17	281.92	4.60	-41.57
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579055	0	39	-1.0	-51.97	317.92	5.52	-46.45
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579056	0	35	-1.0	-44.48	298.64	5.93	-38.55
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007579057	0	36	-1.0	-51.79	312.37	5.30	-46.49
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579058	0	38	-1.0	-57.11	334.81	2.52	-54.59
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007579059	0	36	-1.0	-45.61	320.12	4.78	-40.83
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OC	REAL300007579060	0	43	-1.0	-52.37	336.51	4.50	-47.87
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579061	0	35	-1.0	-45.37	293.54	5.73	-39.64
CN(C1CCCCC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579062	0	43	-1.0	-49.02	327.43	5.33	-43.69
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579063	0	38	-1.0	-52.87	307.03	3.91	-48.96
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007579064	0	48	-1.0	-49.59	375.21	8.81	-40.78
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007579065	0	38	-1.0	-50.81	317.42	4.13	-46.68
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007579066	0	32	-1.0	-49.22	282.27	5.33	-43.89
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007579067	0	32	-1.0	-46.28	295.42	5.61	-40.67
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579068	0	37	-1.0	-64.83	298.83	6.71	-58.12
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007579069	0	38	-1.0	-50.99	336.16	7.01	-43.98
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579070	0	42	-1.0	-60.11	356.69	1.55	-58.56
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579071	0	43	-1.0	-53.60	356.55	6.83	-46.77
CC1=CC(F)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579072	0	35	-1.0	-46.38	301.19	5.69	-40.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007579073	0	38	-1.0	-49.47	319.08	5.48	-43.99
COCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579074	0	39	-1.0	-49.87	329.17	4.73	-45.14
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007579075	0	38	-1.0	-47.27	322.42	2.58	-44.69
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579076	0	41	-1.0	-60.91	359.13	3.21	-57.70
CS(=O)(=O)CCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579077	0	37	-1.0	-63.86	322.39	1.01	-62.85
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1C	REAL300007579078	0	42	-1.0	-51.27	324.44	5.23	-46.04
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007579079	0	37	-1.0	-51.00	327.67	5.49	-45.51
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007579080	0	35	-1.0	-49.48	318.46	6.32	-43.16
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007579081	0	37	-1.0	-53.84	315.05	5.39	-48.45
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300007579082	0	42	-1.0	-57.22	342.04	0.46	-56.76
CN(C1CCOCC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579083	0	41	-1.0	-48.96	321.23	3.05	-45.91
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007579084	0	41	-1.0	-54.86	338.91	5.99	-48.87
CCN1N=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007579085	0	41	-1.0	-52.81	329.87	4.82	-47.99
CC(C)N1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007579086	0	38	-1.0	-52.53	318.13	4.07	-48.46
CC(C)CN1C=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579087	0	41	-1.0	-53.47	338.80	5.98	-47.49
CC(C)N1C=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579088	0	38	-1.0	-58.02	319.57	5.39	-52.63
CC(C)C1=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CN1	REAL300007579089	0	38	-1.0	-56.24	317.33	3.42	-52.82
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579090	0	44	-1.0	-48.77	321.34	7.67	-41.10
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300007579091	0	45	-1.0	-54.59	372.01	7.90	-46.69
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579092	0	40	-1.0	-53.66	340.20	4.41	-49.25
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OC	REAL300007579093	0	40	-1.0	-51.79	339.37	4.50	-47.29
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007579094	0	35	-1.0	-50.49	313.60	6.19	-44.30
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579095	0	35	-1.0	-49.43	282.50	5.33	-44.10
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007579096	0	38	-1.0	-49.88	323.18	7.74	-42.14
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CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579100	0	47	-1.0	-52.43	369.71	6.36	-46.07
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CC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)SC=C1	REAL300007580002	0	32	-1.0	-53.34	301.26	4.57	-48.77
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3OCCCC3=C2)=C1	REAL300007580003	0	40	-1.0	-54.92	348.37	5.70	-49.22
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CC1=CC=C(N2C=C(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=N2)C=C1	REAL300007580005	0	42	-1.0	-58.38	376.65	6.86	-51.52
CC1CC2=CC(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)=CC(Cl)=C2O1	REAL300007580006	0	40	-1.0	-55.91	368.45	6.18	-49.73
CC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300007580007	0	37	-1.0	-54.64	338.89	6.25	-48.39
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007580008	0	43	-1.0	-59.88	382.42	5.83	-54.05
CC1=NN(C)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580009	0	35	-1.0	-57.15	319.66	3.35	-53.80
CC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)N(C)N=C1	REAL300007580010	0	35	-1.0	-54.26	311.58	3.53	-50.73
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CN(C)C1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007580012	0	40	-1.0	-54.78	347.17	5.49	-49.29
CC1=CC2=CC=C(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2C=C1	REAL300007580013	0	41	-1.0	-55.16	361.98	7.99	-47.17
COC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)SC=C1	REAL300007580014	0	33	-1.0	-56.33	310.53	3.58	-52.75
CN(C)C1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580015	0	40	-1.0	-54.97	347.21	5.50	-49.47
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300007580016	0	37	-1.0	-55.34	324.38	4.94	-50.40
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O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300007580018	0	37	-1.0	-56.70	330.48	4.91	-51.79
O=C([O-])C1=CC=CC(CNS(=O)(=O)CCC2=CC=C(Cl)C=C2)=C1	REAL300007580019	0	38	-1.0	-54.77	356.67	7.10	-47.67
CN1CCCC2=CC=C(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300007580020	0	44	-1.0	-54.26	368.90	5.62	-48.64
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300007580021	0	34	-1.0	-54.06	329.39	4.31	-49.75
COC1=CC=CC(OC)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580022	0	40	-1.0	-57.96	348.67	5.58	-52.38
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580023	0	40	-1.0	-57.01	353.51	7.15	-49.86
CC1=CC=C(C)C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300007580024	0	40	-1.0	-62.47	350.85	8.04	-54.43
CC1=CC(C)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007580025	0	40	-1.0	-53.29	353.60	7.15	-46.14
COC1=CC=C(CCS(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007580026	0	42	-1.0	-56.19	369.44	5.88	-50.31
COC1=CN=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580027	0	35	-1.0	-55.18	319.26	2.54	-52.64
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300007580028	0	41	-1.0	-52.34	367.67	6.72	-45.62
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300007580029	0	39	-1.0	-53.31	343.92	7.17	-46.14
COC1=CC(OC)=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580030	0	40	-1.0	-55.93	353.66	3.68	-52.25
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CC1=CC=C(CCS(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007580032	0	41	-1.0	-54.57	361.34	7.26	-47.31
CC1=CC2=C(C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1)OCO2	REAL300007580033	0	38	-1.0	-53.22	335.38	4.64	-48.58
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COC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300007580035	0	36	-1.0	-53.98	340.20	4.93	-49.05
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CN1C=NC2=CC(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300007580037	0	38	-1.0	-61.92	342.95	6.41	-55.51
CC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300007580038	0	40	-1.0	-61.16	343.09	6.60	-54.56
CC1=NC2=CC=C(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2O1	REAL300007580039	0	37	-1.0	-57.01	338.32	2.73	-54.28
CCC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1CC	REAL300007580040	0	44	-1.0	-53.48	371.73	7.64	-45.84
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580041	0	40	-1.0	-53.37	345.61	7.09	-46.28
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580042	0	42	-1.0	-55.99	353.65	6.63	-49.36
CC1=C(C)SC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580043	0	35	-1.0	-52.86	326.89	5.43	-47.43
NC1=NC=C(Cl)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580044	0	33	-1.0	-52.34	316.86	2.96	-49.38
CC1=NC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300007580045	0	31	-1.0	-54.10	303.21	2.90	-51.20
CCC1=NC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300007580046	0	34	-1.0	-53.60	324.69	3.65	-49.95
CC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300007580047	0	33	-1.0	-53.83	302.21	2.44	-51.39
CC1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300007580047	1	32	-2.0	-102.62	299.98	2.06	-100.56
CN(C)C1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007580048	0	39	-1.0	-55.40	343.35	4.85	-50.55
CC1=CC(C)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300007580049	0	35	-1.0	-53.43	323.16	5.37	-48.06
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300007580050	0	38	-1.0	-54.20	326.33	6.33	-47.87
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300007580051	0	35	-1.0	-54.81	315.02	3.63	-51.18
CC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC(C)=C1F	REAL300007580052	0	38	-1.0	-52.93	341.71	6.41	-46.52
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300007580053	0	39	-1.0	-56.77	350.68	4.83	-51.94
O=C([O-])C1=CC=CC(CNS(=O)(=O)CCCOCC2=CC=CC=C2)=C1	REAL300007580054	0	45	-1.0	-56.46	395.46	6.64	-49.82
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1	REAL300007580055	0	36	-1.0	-62.19	333.15	5.13	-57.06
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300007580056	0	34	-1.0	-56.61	319.02	4.83	-51.78
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007580057	0	34	-1.0	-54.34	311.28	3.90	-50.44
CC1=NC(CS(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300007580058	0	34	-1.0	-56.29	325.02	3.48	-52.81
COC(CS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CC1	REAL300007580059	0	39	-1.0	-53.53	336.87	4.42	-49.11
O=C([O-])C1=CC=CC(CNS(=O)(=O)CC2=CC=C(Cl)C=C2)=C1	REAL300007580060	0	35	-1.0	-54.51	335.17	6.31	-48.20
CC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300007580061	0	35	-1.0	-52.64	330.16	6.17	-46.47
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300007580062	0	38	-1.0	-58.01	342.77	6.06	-51.95
CC1=CSC(C2=CC=C(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300007580063	0	41	-1.0	-55.28	380.91	6.54	-48.74
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300007580064	0	40	-1.0	-54.91	338.03	6.26	-48.65
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1	REAL300007580065	0	39	-1.0	-60.59	359.78	2.93	-57.66
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300007580066	0	41	-1.0	-58.26	356.44	5.41	-52.85
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CCC(C)OC1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580068	0	45	-1.0	-55.89	384.71	6.73	-49.16
COC(CS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCC1	REAL300007580069	0	45	-1.0	-54.34	368.62	5.20	-49.14
COC(CS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300007580070	0	48	-1.0	-53.24	387.44	5.83	-47.41
CC1(C)CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)CO1	REAL300007580071	0	39	-1.0	-61.06	327.85	3.45	-57.61
CCOC(CS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CC1	REAL300007580072	0	42	-1.0	-53.55	358.76	5.39	-48.16
CCCOC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1C(C)C	REAL300007580073	0	51	-1.0	-53.22	426.14	8.12	-45.10
CCC1=NC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CN1CC1CC1	REAL300007580074	0	45	-1.0	-60.49	388.79	6.84	-53.65
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300007580075	0	35	-1.0	-53.86	334.42	4.58	-49.28
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300007580076	0	40	-1.0	-58.22	358.63	7.43	-50.79
CN1N=CC(C2CC2)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580077	0	39	-1.0	-53.75	341.26	4.95	-48.80
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CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580079	0	35	-1.0	-53.60	336.29	3.68	-49.92
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CCC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C(C)C=C1OC	REAL300007580082	0	45	-1.0	-52.73	380.55	6.76	-45.97
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007580083	0	33	-2.0	-122.47	320.79	3.58	-118.89
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007580083	1	34	-1.0	-61.04	320.85	4.05	-56.99
CC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300007580084	0	41	-1.0	-56.14	346.12	8.18	-47.96
CC(C)OC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007580085	0	41	-1.0	-54.69	363.85	3.62	-51.07
COC1=C(F)C=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580086	0	36	-1.0	-56.74	329.10	5.07	-51.67
CCOC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1C(C)C	REAL300007580087	0	48	-1.0	-53.52	404.65	7.32	-46.20
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300007580088	0	44	-1.0	-52.55	372.90	7.32	-45.23
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CN1N=C2CCCCC2=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580090	0	42	-1.0	-54.66	353.65	5.10	-49.56
CN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300007580091	0	44	-1.0	-53.65	365.33	5.34	-48.31
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300007580092	0	42	-1.0	-56.13	362.10	5.41	-50.72
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580093	0	35	-1.0	-51.71	320.94	3.66	-48.05
COC1=CC=C(F)C=C1CS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580094	0	39	-1.0	-56.23	353.02	5.23	-51.00
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CCC1=NN(C)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580096	0	38	-1.0	-56.67	340.35	4.09	-52.58
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CCCOC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1CC	REAL300007580098	0	48	-1.0	-53.41	409.22	7.58	-45.83
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580099	0	38	-1.0	-51.43	337.52	7.07	-44.36
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580100	0	38	-1.0	-53.71	355.53	6.99	-46.72
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CCCC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580102	0	41	-1.0	-52.19	347.76	7.61	-44.58
COC1=NC=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580103	0	35	-1.0	-55.31	313.00	2.28	-53.03
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CC1=NC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)N1C	REAL300007580106	0	35	-1.0	-58.36	316.97	3.94	-54.42
CC1=CSC(C)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580107	0	35	-1.0	-52.13	318.12	5.76	-46.37
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300007580108	0	39	-1.0	-55.25	344.58	4.75	-50.50
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CC1(C)COC2=C(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=NN2C1	REAL300007580111	0	43	-1.0	-55.97	365.59	3.12	-52.85
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300007580112	0	38	-1.0	-55.10	361.52	5.98	-49.12
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300007580113	0	39	-1.0	-57.09	335.63	5.03	-52.06
COC1=CC(C(C)C)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300007580114	0	48	-1.0	-52.46	398.12	7.19	-45.27
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580115	0	42	-1.0	-54.01	361.31	6.50	-47.51
CC1CC2=CC=CC(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300007580116	0	40	-1.0	-54.90	341.93	5.58	-49.32
CC(C)(C)C1=NC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300007580117	0	40	-1.0	-53.54	363.35	4.74	-48.80
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CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580119	0	37	-1.0	-62.37	336.42	4.65	-57.72
CCN1N=NC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580120	0	34	-1.0	-54.59	310.57	2.33	-52.26
O=C([O-])C1=CC=CC(CNS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)=C1	REAL300007580121	0	41	-1.0	-58.93	340.46	5.04	-53.89
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300007580122	0	33	-1.0	-53.43	309.57	3.85	-49.58
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300007580123	0	35	-1.0	-54.22	333.53	6.49	-47.73
CN1N=C(C2CC2)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580124	0	39	-1.0	-54.72	346.66	4.79	-49.93
CC1=CC(C)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)=C1F	REAL300007580125	0	41	-1.0	-52.20	342.81	7.10	-45.10
COC1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1OC	REAL300007580126	0	40	-1.0	-57.71	352.09	4.87	-52.84
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CN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300007580128	0	45	-1.0	-55.91	369.18	5.35	-50.56
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580129	0	44	-1.0	-56.98	373.85	5.68	-51.30
CCCCN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)=N1	REAL300007580130	0	44	-1.0	-56.80	384.84	5.77	-51.03
CN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300007580131	0	39	-1.0	-56.41	338.32	4.44	-51.97
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CN1N=NC2=C(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300007580133	0	37	-1.0	-61.34	333.04	3.49	-57.85
CC1=CC(C)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1Br	REAL300007580134	0	38	-1.0	-51.33	348.88	7.15	-44.18
CC1(C)CCCN(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300007580135	0	43	-1.0	-51.65	349.17	5.48	-46.17
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CN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300007580137	0	42	-1.0	-55.91	352.13	4.86	-51.05
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580138	0	50	-1.0	-51.83	408.85	9.08	-42.75
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300007580139	0	42	-1.0	-58.01	368.65	5.70	-52.31
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COC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300007580142	0	41	-1.0	-62.06	360.12	6.28	-55.78
CCCC1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580143	0	41	-1.0	-53.46	359.07	7.28	-46.18
CN1N=C2CCCC2=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580144	0	39	-1.0	-55.82	340.39	4.58	-51.24
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CC1=CC=CC(C)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580146	0	38	-1.0	-52.43	321.38	6.59	-45.84
CC(C)(C)N1N=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580147	0	41	-1.0	-53.61	338.20	4.53	-49.08
CC(C)(C)N1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007580148	0	41	-1.0	-57.00	359.17	4.78	-52.22
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300007580149	0	39	-1.0	-55.06	329.07	3.54	-51.52
CC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300007580150	0	37	-1.0	-55.50	345.60	4.89	-50.61
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300007580151	0	35	-1.0	-52.48	339.81	6.14	-46.34
CC1=NN(C)C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580152	0	35	-1.0	-54.84	316.85	3.28	-51.56
CC1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300007580153	0	38	-1.0	-52.65	326.93	6.53	-46.12
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580154	0	43	-1.0	-61.50	379.26	7.10	-54.40
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3CCC2)=C1	REAL300007580155	0	43	-1.0	-53.51	363.36	8.14	-45.37
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)=C1	REAL300007580156	0	38	-1.0	-53.84	357.14	6.10	-47.74
O=C([O-])C1=CC=CC(CNS(=O)(=O)N2CC3=CC=CC=C3C2)=C1	REAL300007580157	0	38	-1.0	-53.31	337.12	5.52	-47.79
O=C([O-])C1=CC=CC(CNS(=O)(=O)CC2=NOC3=C2COCC3)=C1	REAL300007580158	0	39	-1.0	-59.40	347.73	3.43	-55.97
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300007580159	0	32	-1.0	-55.75	313.99	5.46	-50.29
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300007580160	0	39	-1.0	-53.85	343.90	7.18	-46.67
COC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=CS1	REAL300007580161	0	33	-1.0	-53.74	310.49	3.58	-50.16
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300007580162	0	42	-1.0	-53.85	359.43	5.68	-48.17
CCC(C)N1N=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580163	0	41	-1.0	-53.80	354.63	4.96	-48.84
CN(C(C)(C)C)S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580164	0	39	-1.0	-51.32	320.84	4.57	-46.75
CCC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)O1	REAL300007580165	0	35	-1.0	-53.79	320.76	4.67	-49.12
CN(C1CCCCCC1)S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580166	0	46	-1.0	-51.92	365.34	6.08	-45.84
CN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C2CCOCC2)=N1	REAL300007580167	0	46	-1.0	-56.57	393.22	4.19	-52.38
CC(F)(F)C1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580168	0	38	-1.0	-56.21	347.89	6.60	-49.61
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300007580169	0	36	-1.0	-56.30	333.94	4.65	-51.65
O=C([O-])C1=CC=CC(CNS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)=C1	REAL300007580170	0	47	-1.0	-53.88	388.29	7.63	-46.25
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300007580171	0	33	-1.0	-53.03	318.47	3.52	-49.51
CC1=CC(C)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300007580172	0	43	-1.0	-58.16	366.09	7.36	-50.80
O=C([O-])C1=CC=CC(CNS(=O)(=O)N2CCC(C(F)(F)F)CC2)=C1	REAL300007580173	0	40	-1.0	-55.01	348.30	5.07	-49.94
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300007580174	0	35	-1.0	-55.46	327.35	3.77	-51.69
CCOCC1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580175	0	42	-1.0	-54.97	371.60	5.76	-49.21
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580176	0	42	-1.0	-56.41	374.35	6.25	-50.16
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300007580177	0	45	-1.0	-56.07	381.08	6.01	-50.06
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300007580178	0	43	-1.0	-54.17	383.37	7.91	-46.26
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300007580179	0	35	-1.0	-54.51	314.51	6.14	-48.37
CC1=CN=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007580180	0	34	-1.0	-53.94	311.13	3.92	-50.02
CC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC(C)=C1Br	REAL300007580181	0	38	-1.0	-52.71	352.37	6.82	-45.89
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300007580182	0	41	-1.0	-56.04	353.40	7.95	-48.09
CN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300007580183	0	42	-1.0	-56.67	361.78	5.97	-50.70
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O=C([O-])C1=CC=CC(CNS(=O)(=O)C=CC2=CC=CC(Br)=C2)=C1	REAL300007580185	0	36	-1.0	-53.62	347.88	6.86	-46.76
O=C([O-])C1=CC=CC(CNS(=O)(=O)C=CC2=CC=C(Br)C=C2)=C1	REAL300007580186	0	36	-1.0	-53.48	347.87	6.87	-46.61
CCOCCCS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007580187	0	38	-1.0	-54.95	335.56	3.60	-51.35
O=C([O-])C1=CC(CNS(=O)(=O)CCC2NC(=O)NC2=O)=CC=C1	REAL300007580188	0	37	-1.0	-61.29	338.52	-1.03	-62.32
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300007580189	0	35	-1.0	-58.00	320.18	5.46	-52.54
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2CCC(F)(F)CC2)=C1	REAL300007580190	0	38	-1.0	-55.29	331.29	5.58	-49.71
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300007580191	0	34	-1.0	-57.67	325.63	4.46	-53.21
O=C([O-])C1=CC=CC(CNS(=O)(=O)CCOC2CCOC2)=C1	REAL300007580192	0	40	-1.0	-56.70	349.51	2.27	-54.43
O=C([O-])C1=CC=CC(CNS(=O)(=O)CC2COCCO2)=C1	REAL300007580193	0	37	-1.0	-56.64	323.06	2.45	-54.19
CC1=NC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300007580194	0	41	-1.0	-57.45	368.59	4.32	-53.13
CC1=NC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300007580194	1	40	-2.0	-116.21	366.86	3.87	-112.34
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COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1=CC=CC=C1C	REAL300007580297	0	39	-1.0	-45.12	350.94	6.55	-38.57
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007580298	0	32	-1.0	-49.28	305.13	4.61	-44.67
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007580299	0	41	-1.0	-56.40	343.57	7.01	-49.39
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300007580300	0	38	-1.0	-53.19	326.00	6.56	-46.63
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC=C2C)=C1	REAL300007580301	0	42	-1.0	-53.64	366.84	5.42	-48.22
CC1=CC=CC=C1CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007580302	0	32	-1.0	-50.55	303.43	4.75	-45.80
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007580303	0	38	-1.0	-42.36	339.95	7.46	-34.90
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300007580304	0	38	-1.0	-48.47	321.12	6.34	-42.13
CC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007580305	0	38	-1.0	-52.32	339.31	8.05	-44.27
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007580306	0	38	-1.0	-48.79	333.92	6.51	-42.28
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300007580307	0	40	-1.0	-42.46	350.02	6.74	-35.72
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007580308	0	38	-1.0	-51.73	333.94	6.49	-45.24
CC1=C(S(=O)(=O)NCC2=CC=CC=C2C)C=C(C(=O)[O-])O1	REAL300007580309	0	35	-1.0	-52.53	316.65	4.70	-47.83
CC1=CC=CC=C1CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007580310	0	34	-1.0	-46.83	306.94	3.91	-42.92
CC1=CC=CC=C1CNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007580311	0	31	-1.0	-50.82	289.47	3.84	-46.98
CC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007580312	0	31	-1.0	-61.63	286.94	3.24	-58.39
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007580313	0	34	-1.0	-53.18	297.94	4.68	-48.50
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007580314	0	34	-1.0	-50.56	307.64	3.92	-46.64
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007580315	0	35	-1.0	-47.28	328.50	6.22	-41.06
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007580316	0	35	-1.0	-47.25	333.06	6.33	-40.92
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C)C=C1C(=O)[O-]	REAL300007580317	0	39	-1.0	-58.42	339.06	5.78	-52.64
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300007580318	0	38	-1.0	-47.93	327.78	6.26	-41.67
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007580319	0	40	-1.0	-52.04	344.69	6.01	-46.03
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC=C2C)=C1	REAL300007580320	0	42	-1.0	-53.64	366.84	5.42	-48.22
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007580321	0	35	-1.0	-47.28	328.50	6.22	-41.06
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC=C1C	REAL300007580322	0	35	-1.0	-49.31	312.35	6.33	-42.98
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300007580323	0	38	-1.0	-49.47	339.39	7.03	-42.44
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3=CC=CC=C3C)C=C21	REAL300007580324	0	41	-1.0	-51.24	358.72	7.05	-44.19
CC1=CC=CC=C1CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007580325	0	38	-1.0	-58.41	335.54	6.45	-51.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=C1C	REAL300007580326	0	39	-1.0	-54.75	332.34	5.41	-49.34
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007580327	0	38	-1.0	-53.47	331.86	6.36	-47.11
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007580328	0	38	-1.0	-55.27	326.58	6.49	-48.78
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=C1C	REAL300007580329	0	39	-1.0	-45.48	346.21	5.62	-39.86
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007580330	0	38	-1.0	-51.73	333.94	6.49	-45.24
COC1=C(S(=O)(=O)NCC2=CC=CC=C2C)SC(C(=O)[O-])=C1	REAL300007580331	0	36	-1.0	-47.01	329.66	3.86	-43.15
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300007580332	0	38	-1.0	-47.31	349.66	6.88	-40.43
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007580333	0	40	-1.0	-49.27	348.59	6.38	-42.89
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007580334	0	38	-1.0	-47.39	341.89	6.53	-40.86
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007580335	0	42	-1.0	-52.89	357.90	7.60	-45.29
CCC1=C(S(=O)(=O)NCC2=CC=CC=C2C)C=C(C(=O)[O-])O1	REAL300007580336	0	38	-1.0	-52.14	336.29	5.50	-46.64
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007580337	0	37	-1.0	-44.22	329.45	7.13	-37.09
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007580338	0	38	-1.0	-51.32	349.64	7.21	-44.11
CC1=CC=CC=C1CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007580339	0	37	-1.0	-39.22	328.91	7.27	-31.95
CC1=CC=CC=C1CNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300007580340	0	37	-1.0	-46.98	326.87	4.51	-42.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=CC=C1C	REAL300007580341	0	39	-1.0	-48.16	332.37	5.42	-42.74
COC1=CC(S(=O)(=O)NCC2=CC=CC=C2C)=CC=C1C(=O)[O-]	REAL300007580342	0	39	-1.0	-53.73	339.04	5.79	-47.94
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C)C(CC(=O)[O-])=C1	REAL300007580343	0	42	-1.0	-57.54	353.76	6.08	-51.46
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007580344	0	38	-1.0	-50.60	339.40	6.54	-44.06
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007580345	0	38	-1.0	-46.11	350.82	6.71	-39.40
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007580346	0	44	-1.0	-49.84	364.92	7.36	-42.48
CC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007580347	0	35	-1.0	-50.81	303.93	3.92	-46.89
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007580348	0	41	-1.0	-50.36	348.22	7.79	-42.57
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=CC=CC=C2C)=C1	REAL300007580349	0	35	-1.0	-49.85	314.67	4.55	-45.30
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007580350	0	35	-1.0	-43.86	322.54	7.09	-36.77
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007580351	0	35	-1.0	-50.77	324.28	6.11	-44.66
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC=CC=C2C)=C1	REAL300007580352	0	39	-1.0	-48.62	330.64	5.77	-42.85
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC=C2C)=C1OC	REAL300007580353	0	47	-1.0	-50.06	400.66	6.72	-43.34
CC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007580354	0	35	-1.0	-50.81	303.93	3.92	-46.89
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007580355	0	37	-2.0	-134.49	338.65	6.69	-127.80
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=C1C	REAL300007580356	0	42	-1.0	-53.06	358.23	5.71	-47.35
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007580357	0	34	-1.0	-47.23	307.99	3.84	-43.39
CC1=CC=CC=C1CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007580358	0	38	-1.0	-56.01	325.52	6.87	-49.14
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007580359	0	32	-1.0	-45.55	311.43	4.36	-41.19
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007580360	0	41	-1.0	-50.49	347.87	7.81	-42.68
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=C1C	REAL300007580361	0	42	-1.0	-54.26	354.20	6.33	-47.93
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C)C(C(=O)[O-])=C1	REAL300007580362	0	39	-1.0	-50.90	330.69	5.76	-45.14
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007580363	0	34	-1.0	-54.11	307.84	3.93	-50.18
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007580364	0	35	-1.0	-53.87	313.46	3.33	-50.54
CC1=CC=CC=C1CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007580365	0	41	-1.0	-52.06	357.68	7.98	-44.08
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC=CC=C2C)S1	REAL300007580366	0	35	-1.0	-49.19	322.03	5.27	-43.92
CC1=CC=CC=C1CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007580367	0	41	-1.0	-53.19	346.99	8.74	-44.45
CC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007580368	0	38	-1.0	-46.01	333.23	7.06	-38.95
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007580369	0	38	-1.0	-56.77	324.34	6.77	-50.00
CC1=CC=CC=C1CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007580370	0	35	-1.0	-48.29	341.68	6.17	-42.12
CC1=CC=CC=C1CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007580371	0	38	-1.0	-65.93	338.11	4.35	-61.58
CC1=CC=CC=C1CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007580372	0	38	-1.0	-44.90	338.37	6.95	-37.95
CC1=CC=CC=C1CNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007580373	0	40	-1.0	-49.71	317.65	5.76	-43.95
CC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007580374	0	32	-1.0	-41.77	312.09	5.98	-35.79
CC1=CC=CC=C1CNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300007580375	0	37	-1.0	-51.15	324.45	4.47	-46.68
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007580376	0	38	-1.0	-56.77	324.34	6.77	-50.00
CCOC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C)C=C1C(=O)[O-]	REAL300007580377	0	42	-1.0	-58.09	360.91	6.69	-51.40
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007580378	0	42	-1.0	-52.23	357.22	7.60	-44.63
CC1=CC=CC=C1CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007580379	0	34	-1.0	-44.61	296.80	4.67	-39.94
CC1=CC=CC=C1CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007580380	0	40	-1.0	-55.46	353.53	6.09	-49.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580381	0	34	-1.0	-63.30	304.85	5.05	-58.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580382	0	35	-1.0	-60.86	310.58	3.95	-56.91
CC1=CC=C(S(=O)(=O)NCC2=NN=CN2C)C=C1C(=O)[O-]	REAL300007580383	0	34	-1.0	-57.51	306.23	4.67	-52.84
CN1C=NN=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007580384	0	28	-1.0	-49.72	273.37	3.92	-45.80
CN1C=NN=C1CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007580385	0	31	-1.0	-58.54	294.76	2.26	-56.28
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007580386	0	28	-1.0	-53.05	282.49	3.26	-49.79
CN1C=NN=C1CNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007580387	0	36	-1.0	-57.09	307.57	3.26	-53.83
CN1C=NN=C1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007580388	0	36	-1.0	-57.21	306.30	3.25	-53.96
CN1C=NN=C1CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007580389	0	31	-1.0	-46.86	296.25	5.54	-41.32
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=NN=CN2C)O1	REAL300007580390	0	31	-1.0	-54.14	293.20	2.96	-51.18
CN1C=NN=C1CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007580391	0	34	-1.0	-69.89	313.98	4.86	-65.03
CN1C=NN=C1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007580392	0	36	-1.0	-57.21	306.30	3.25	-53.96
CN1C=NN=C1CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007580393	0	34	-1.0	-70.99	313.99	4.85	-66.14
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007580394	0	35	-1.0	-56.54	320.34	4.39	-52.15
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580395	0	35	-1.0	-48.26	329.31	5.12	-43.14
CN1C=NN=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007580396	0	28	-1.0	-54.58	283.40	3.16	-51.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NN=CN2C)=C1C	REAL300007580397	0	37	-1.0	-64.40	321.81	5.56	-58.84
CC1=CC=CC(S(=O)(=O)NCC2=NN=CN2C)=C1C(=O)[O-]	REAL300007580398	0	34	-1.0	-55.70	306.27	5.18	-50.52
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NN=CN2C)=C1	REAL300007580399	0	38	-1.0	-58.85	345.26	3.84	-55.01
CN1C=NN=C1CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007580400	0	28	-1.0	-56.52	281.85	3.15	-53.37
CN1C=NN=C1CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007580401	0	34	-1.0	-45.61	318.22	6.03	-39.58
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580402	0	34	-1.0	-52.05	299.44	4.90	-47.15
CN1C=NN=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007580403	0	34	-1.0	-55.11	317.74	6.45	-48.66
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007580404	0	34	-1.0	-55.80	311.44	4.89	-50.91
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=NN=CN2C)C=C1[N+](=O)[O-]	REAL300007580405	0	36	-1.0	-48.55	328.44	5.16	-43.39
CN1C=NN=C1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007580406	0	34	-1.0	-58.80	312.36	4.91	-53.89
CC1=C(S(=O)(=O)NCC2=NN=CN2C)C=C(C(=O)[O-])O1	REAL300007580407	0	31	-1.0	-59.74	294.89	3.26	-56.48
CN1C=NN=C1CNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007580408	0	27	-1.0	-53.19	267.68	2.38	-50.81
CN1C=NN=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007580408	1	26	-2.0	-118.34	266.27	2.04	-116.30
CN1C=NN=C1CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007580409	0	27	-1.0	-58.59	271.77	1.85	-56.74
CN1C=NN=C1CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007580410	0	31	-1.0	-52.66	306.93	4.64	-48.02
CN1C=NN=C1CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007580411	0	31	-1.0	-52.52	311.49	4.75	-47.77
COC1=CC=C(S(=O)(=O)NCC2=NN=CN2C)C=C1C(=O)[O-]	REAL300007580412	0	35	-1.0	-64.31	317.49	4.20	-60.11
CC1=CC(S(=O)(=O)NCC2=NN=CN2C)=CC=C1C(=O)[O-]	REAL300007580413	0	34	-1.0	-54.00	306.20	4.68	-49.32
CN1C=NN=C1CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007580414	0	36	-1.0	-57.00	322.94	4.56	-52.44
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NN=CN2C)=C1	REAL300007580415	0	38	-1.0	-58.85	345.26	3.84	-55.01
CN1C=NN=C1CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007580416	0	31	-1.0	-52.66	306.93	4.64	-48.02
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580417	0	31	-1.0	-52.74	290.77	4.73	-48.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580418	0	34	-1.0	-56.88	318.64	5.47	-51.41
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3=NN=CN3C)C=C12	REAL300007580419	0	37	-1.0	-58.38	337.13	5.47	-52.91
CN1C=NN=C1CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007580420	0	34	-1.0	-69.89	313.98	4.86	-65.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580421	0	35	-1.0	-60.86	310.58	3.95	-56.91
CC1=CC=C(S(=O)(=O)NCC2=NN=CN2C)C=C1C(=O)[O-]	REAL300007580422	0	34	-1.0	-57.51	306.23	4.67	-52.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580423	0	34	-1.0	-63.30	304.85	5.05	-58.25
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580424	0	35	-1.0	-51.90	324.46	4.17	-47.73
CN1C=NN=C1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007580425	0	34	-1.0	-58.80	312.36	4.91	-53.89
COC1=C(S(=O)(=O)NCC2=NN=CN2C)SC(C(=O)[O-])=C1	REAL300007580426	0	32	-1.0	-51.55	308.41	2.42	-49.13
CC1=C(Br)C=C(S(=O)(=O)NCC2=NN=CN2C)C=C1C(=O)[O-]	REAL300007580427	0	34	-1.0	-53.51	328.04	5.29	-48.22
CN1C=NN=C1CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007580428	0	36	-1.0	-56.03	327.01	4.80	-51.23
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007580429	0	34	-1.0	-53.50	320.31	4.95	-48.55
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007580430	0	38	-1.0	-61.52	335.38	5.99	-55.53
CCC1=C(S(=O)(=O)NCC2=NN=CN2C)C=C(C(=O)[O-])O1	REAL300007580431	0	34	-1.0	-59.14	314.55	4.06	-55.08
CN1C=NN=C1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007580432	0	33	-1.0	-46.73	307.70	5.69	-41.04
CN1C=NN=C1CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007580433	0	34	-1.0	-58.09	328.06	5.63	-52.46
CN1C=NN=C1CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007580434	0	33	-1.0	-43.07	307.70	5.69	-37.38
CC1=NC=C(S(=O)(=O)NCC2=NN=CN2C)C=C1C(=O)[O-]	REAL300007580435	0	33	-1.0	-51.99	301.63	2.85	-49.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580436	0	35	-1.0	-53.48	310.61	3.96	-49.52
COC1=CC(S(=O)(=O)NCC2=NN=CN2C)=CC=C1C(=O)[O-]	REAL300007580437	0	35	-1.0	-59.69	317.46	4.21	-55.48
COC1=CC=C(S(=O)(=O)NCC2=NN=CN2C)C(CC(=O)[O-])=C1	REAL300007580438	0	38	-1.0	-63.86	331.94	4.67	-59.19
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007580439	0	34	-1.0	-58.26	317.78	4.95	-53.31
CN1C=NN=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007580440	0	34	-1.0	-51.65	329.25	5.14	-46.51
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007580441	0	40	-1.0	-57.52	342.42	5.74	-51.78
CN1C=NN=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007580442	0	31	-1.0	-56.71	282.10	2.46	-54.25
CN1C=NN=C1CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007580443	0	37	-1.0	-55.57	326.46	6.36	-49.21
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=NN=CN2C)=C1	REAL300007580444	0	31	-1.0	-55.58	292.94	3.09	-52.49
CN1C=NN=C1CNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007580445	0	31	-1.0	-46.74	300.81	5.65	-41.09
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007580446	0	31	-1.0	-56.81	302.70	4.52	-52.29
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=NN=CN2C)=C1	REAL300007580447	0	35	-1.0	-51.25	308.92	4.34	-46.91
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC2=NN=CN2C)=C1OC	REAL300007580448	0	43	-1.0	-57.35	378.91	5.28	-52.07
CN1C=NN=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007580449	0	31	-1.0	-56.71	282.10	2.46	-54.25
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007580450	0	33	-2.0	-137.45	317.07	5.10	-132.35
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580451	0	38	-1.0	-60.40	336.65	4.27	-56.13
CN1C=NN=C1CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007580452	0	34	-1.0	-63.47	303.02	5.27	-58.20
CN1C=NN=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007580453	0	28	-1.0	-50.69	289.85	2.78	-47.91
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007580454	0	37	-1.0	-56.15	326.11	6.37	-49.78
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NN=CN1C	REAL300007580455	0	38	-1.0	-60.11	332.47	4.88	-55.23
COC1=CC=C(S(=O)(=O)NCC2=NN=CN2C)C(C(=O)[O-])=C1	REAL300007580456	0	35	-1.0	-53.11	308.95	4.32	-48.79
CN1C=NN=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007580457	0	31	-1.0	-59.36	291.73	1.88	-57.48
CN1C=NN=C1CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007580458	0	37	-1.0	-59.27	336.10	6.40	-52.87
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=NN=CN2C)S1	REAL300007580459	0	31	-1.0	-54.27	300.27	3.82	-50.45
CN1C=NN=C1CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007580460	0	37	-1.0	-54.90	325.25	7.30	-47.60
CN1C=NN=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007580461	0	34	-1.0	-53.28	313.65	5.69	-47.59
CN1C=NN=C1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007580462	0	34	-1.0	-63.43	302.60	5.33	-58.10
CN1C=NN=C1CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007580463	0	31	-1.0	-55.05	319.92	4.72	-50.33
CN1C=NN=C1CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007580464	0	34	-1.0	-68.76	316.53	2.77	-65.99
CN1C=NN=C1CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007580465	0	34	-1.0	-51.36	316.79	5.36	-46.00
CN1C=NN=C1CNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007580466	0	36	-1.0	-55.15	297.32	4.19	-50.96
CN1C=NN=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007580467	0	28	-1.0	-44.83	290.35	4.54	-40.29
CC1=CC(S(=O)(=O)NCC2=NN=CN2C)=CN=C1C(=O)[O-]	REAL300007580468	0	33	-1.0	-56.64	302.59	2.90	-53.74
CN1C=NN=C1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007580469	0	34	-1.0	-63.43	302.60	5.33	-58.10
CCOC1=CC=C(S(=O)(=O)NCC2=NN=CN2C)C=C1C(=O)[O-]	REAL300007580470	0	38	-1.0	-63.88	339.33	5.11	-58.77
CN1C=NN=C1CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007580471	0	38	-1.0	-60.21	335.65	6.02	-54.19
CN1C=NN=C1CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007580472	0	36	-1.0	-62.32	331.95	4.51	-57.81
CC(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580473	0	34	-1.0	-59.91	310.19	2.59	-57.32
CCC(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580474	0	41	-1.0	-50.09	348.37	4.80	-45.29
COC1=CC=C(C)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580475	0	36	-1.0	-52.78	311.62	2.70	-50.08
CC1=CC=C(Br)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580476	0	32	-1.0	-47.13	305.69	3.73	-43.40
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007580477	0	33	-1.0	-49.94	306.75	2.53	-47.41
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580478	0	35	-1.0	-59.05	330.38	-0.27	-59.32
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007580479	0	33	-1.0	-50.82	315.69	2.00	-48.82
COC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1OC	REAL300007580480	0	40	-1.0	-50.17	343.14	2.33	-47.84
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580481	0	32	-1.0	-47.30	301.10	3.60	-43.70
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007580482	0	45	-1.0	-49.92	371.54	6.01	-43.91
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007580483	0	35	-1.0	-52.04	314.18	1.36	-50.68
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1Br	REAL300007580484	0	29	-1.0	-51.94	286.13	2.95	-48.99
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007580485	0	29	-1.0	-51.01	291.00	2.82	-48.19
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580486	0	34	-1.0	-61.65	303.36	4.55	-57.10
O=C([O-])COCCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007580487	0	35	-1.0	-51.76	331.67	4.21	-47.55
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007580488	0	39	-1.0	-58.60	353.64	-1.29	-59.89
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580489	0	40	-1.0	-54.39	352.15	4.04	-50.35
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007580490	0	35	-1.0	-52.83	315.39	2.71	-50.12
COCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580491	0	36	-1.0	-51.22	324.76	1.94	-49.28
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007580492	0	35	-1.0	-51.18	318.72	-0.17	-51.35
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580493	0	38	-1.0	-61.92	354.72	0.41	-61.51
CS(=O)(=O)CCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007580494	0	34	-1.0	-61.71	318.67	-1.78	-63.49
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1C	REAL300007580495	0	39	-1.0	-50.10	330.09	3.02	-47.08
O=C([O-])COCCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007580496	0	34	-1.0	-51.73	320.81	2.70	-49.03
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007580497	0	32	-1.0	-50.58	314.74	3.54	-47.04
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007580498	0	34	-1.0	-52.56	310.66	2.59	-49.97
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580499	0	46	-1.0	-54.68	407.70	1.39	-53.29
CS(=O)(=O)N1CCN(S(=O)(=O)NCCOCC(=O)[O-])CC1	REAL300007580500	0	39	-1.0	-58.98	340.40	-2.22	-61.20
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007580501	0	38	-1.0	-54.26	343.01	3.55	-50.71
CCN1N=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007580502	0	38	-1.0	-54.06	329.12	2.15	-51.91
CC(C)CN1C=NC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580503	0	38	-1.0	-53.27	334.23	3.45	-49.82
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580504	0	41	-1.0	-49.78	322.11	4.72	-45.06
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007580505	0	42	-1.0	-57.65	373.93	5.17	-52.48
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580506	0	37	-1.0	-56.61	336.17	1.62	-54.99
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007580507	0	35	-1.0	-49.98	336.67	3.35	-46.63
COC1=CC(Cl)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1OC	REAL300007580508	0	37	-1.0	-50.67	330.03	1.47	-49.20
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=C(OC)C=C1Br	REAL300007580509	0	37	-1.0	-51.13	340.07	2.00	-49.13
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007580510	0	32	-1.0	-48.83	309.19	3.40	-45.43
O=C([O-])COCCNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007580511	0	35	-1.0	-50.07	325.11	4.98	-45.09
O=C([O-])COCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007580512	0	34	-1.0	-52.85	322.81	4.44	-48.41
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COC1=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=CC=C1F	REAL300007595590	0	40	-1.0	-51.43	336.79	5.66	-45.77
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CC1=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)N(C)N=C1	REAL300007595674	0	39	-1.0	-50.96	316.06	4.66	-46.30
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CC1=CC2=CC=C(S(=O)(=O)N3CCC4(CC4C(=O)[O-])CC3)C=C2C=C1	REAL300007595677	0	45	-1.0	-52.28	368.38	9.24	-43.04
COC1=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)SC=C1	REAL300007595678	0	37	-1.0	-52.53	319.87	4.91	-47.62
CN(C)C1=CC=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007595679	0	44	-1.0	-51.20	352.57	6.68	-44.52
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CN1CCCC2=CC=C(S(=O)(=O)N3CCC4(CC4C(=O)[O-])CC3)C=C21	REAL300007595684	0	48	-1.0	-51.49	375.66	6.85	-44.64
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COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595686	0	44	-1.0	-59.40	354.81	6.80	-52.60
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007595687	0	44	-1.0	-46.82	354.34	8.18	-38.64
CC1=CC=C(C)C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300007595688	0	44	-1.0	-59.62	352.39	9.11	-50.51
CC1=CC(C)=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300007595689	0	44	-1.0	-61.35	357.71	8.28	-53.07
COC1=CC=C(CCS(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1	REAL300007595690	0	46	-1.0	-57.52	375.62	7.10	-50.42
COC1=CN=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007595691	0	39	-1.0	-51.89	325.64	3.76	-48.13
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)S1	REAL300007595692	0	45	-1.0	-50.90	375.02	7.96	-42.94
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COC1=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=CC(OC)=C1	REAL300007595694	0	44	-1.0	-52.96	360.05	4.89	-48.07
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CC1=CC=C(CCS(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1	REAL300007595696	0	45	-1.0	-56.28	367.52	8.48	-47.80
CC1=CC2=C(C=C1S(=O)(=O)N1CCC3(CC3C(=O)[O-])CC1)OCO2	REAL300007595697	0	42	-1.0	-53.98	337.23	5.67	-48.31
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COC1=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=CC=C1Cl	REAL300007595699	0	40	-1.0	-50.69	346.59	6.14	-44.55
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CN1C=NC2=CC(S(=O)(=O)N3CCC4(CC4C(=O)[O-])CC3)=CC=C21	REAL300007595701	0	42	-1.0	-55.72	349.34	7.64	-48.08
CC1=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300007595702	0	44	-1.0	-54.51	350.52	7.86	-46.65
CC1=NC2=CC=C(S(=O)(=O)N3CCC4(CC4C(=O)[O-])CC3)C=C2O1	REAL300007595703	0	41	-1.0	-54.90	344.75	3.97	-50.93
CCC1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1CC	REAL300007595704	0	48	-1.0	-50.17	378.13	8.85	-41.32
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595705	0	44	-1.0	-50.13	348.91	8.23	-41.90
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595706	0	46	-1.0	-51.48	360.43	7.87	-43.61
CC1=C(C)SC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007595707	0	39	-1.0	-51.03	335.71	6.71	-44.32
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595708	0	37	-1.0	-50.44	316.91	4.27	-46.17
CC1=NC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)S1	REAL300007595709	0	35	-1.0	-50.16	310.55	4.13	-46.03
CCC1=NC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)S1	REAL300007595710	0	38	-1.0	-49.96	332.03	4.89	-45.07
CC1=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C(N)=NO1	REAL300007595711	0	37	-1.0	-50.43	306.43	3.61	-46.82
CN(C)C1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=N1	REAL300007595712	0	43	-1.0	-53.62	349.46	6.15	-47.47
CC1=CC(C)=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)S1	REAL300007595713	0	39	-1.0	-50.38	330.11	6.66	-43.72
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CC1=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=CC(C)=C1F	REAL300007595716	0	42	-1.0	-52.14	347.90	7.65	-44.49
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CC1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=N1	REAL300007595721	0	38	-1.0	-52.80	317.67	5.12	-47.68
CC1=NC(CS(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=CS1	REAL300007595722	0	38	-1.0	-54.06	331.43	4.71	-49.35
COC(CS(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1)C1CC1	REAL300007595723	0	43	-1.0	-49.36	348.74	5.54	-43.82
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CC1=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=CC=C1Cl	REAL300007595725	0	39	-1.0	-49.14	336.53	7.39	-41.75
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CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC4(CC4C(=O)[O-])CC3)C=C2)=N1	REAL300007595727	0	45	-1.0	-51.79	387.32	7.77	-44.02
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CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007595732	0	49	-1.0	-50.20	391.14	7.97	-42.23
COC(CS(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1)C1CCCC1	REAL300007595733	0	49	-1.0	-48.87	375.41	6.58	-42.29
COC(CS(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1)C1CCCCC1	REAL300007595734	0	52	-1.0	-48.74	394.43	7.14	-41.60
CC1(C)CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)CO1	REAL300007595735	0	43	-1.0	-50.41	336.75	4.74	-45.67
CCOC(CS(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1)C1CC1	REAL300007595736	0	46	-1.0	-49.17	365.19	6.61	-42.56
CCCOC1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1C(C)C	REAL300007595737	0	55	-1.0	-50.91	432.53	9.33	-41.58
CCC1=NC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=CN1CC1CC1	REAL300007595738	0	49	-1.0	-53.12	396.11	8.09	-45.03
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CC1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300007595740	0	44	-1.0	-47.61	359.69	8.56	-39.05
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595741	0	43	-1.0	-51.02	347.57	6.25	-44.77
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CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595743	0	39	-1.0	-50.56	339.96	4.71	-45.85
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CCC1=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C(C)C=C1OC	REAL300007595745	0	49	-1.0	-51.11	382.42	7.78	-43.33
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=N1	REAL300007595746	0	38	-1.0	-57.98	324.98	5.13	-52.85
CC1=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300007595747	0	45	-1.0	-53.18	349.14	9.25	-43.93
CC(C)OC1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=N1	REAL300007595748	0	45	-1.0	-51.90	370.26	4.85	-47.05
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595749	0	40	-1.0	-54.69	327.09	6.45	-48.24
CCOC1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1C(C)C	REAL300007595750	0	52	-1.0	-51.20	411.03	8.53	-42.67
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1F	REAL300007595751	0	48	-1.0	-48.76	379.29	8.54	-40.22
O=C([O-])C1CC12CCN(S(=O)(=O)CC1=CC=C(C3CCCCC3)C=C1)CC2	REAL300007595752	0	55	-1.0	-50.30	426.72	10.84	-39.46
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595753	0	46	-1.0	-52.00	357.92	6.27	-45.73
CN1C=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300007595754	0	48	-1.0	-49.70	370.02	6.51	-43.19
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CN(C3CCCC3)N=C1)CC2	REAL300007595755	0	46	-1.0	-53.45	368.56	6.65	-46.80
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595756	0	39	-1.0	-52.50	325.74	4.84	-47.66
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595757	0	43	-1.0	-52.23	359.43	6.46	-45.77
C=CCCC1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1	REAL300007595758	0	46	-1.0	-49.89	378.27	9.06	-40.83
CCC1=NN(C)C=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595759	0	42	-1.0	-53.88	336.48	4.97	-48.91
O=C([O-])C1CC12CCN(S(=O)(=O)C=CC1=CC=CC(Cl)=C1)CC2	REAL300007595760	0	40	-1.0	-49.72	349.71	7.99	-41.73
CCCOC1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1CC	REAL300007595761	0	52	-1.0	-50.13	415.65	8.81	-41.32
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595762	0	42	-1.0	-48.28	337.38	8.08	-40.20
O=C([O-])C1CC12CCN(S(=O)(=O)CCCC1CC1)CC2	REAL300007595763	0	42	-1.0	-49.06	339.57	7.13	-41.93
O=C([O-])C1CC12CCN(S(=O)(=O)C=CC1=CC=CC=C1Cl)CC2	REAL300007595764	0	40	-1.0	-51.31	347.23	7.91	-43.40
CCCC1=CC=CC=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595765	0	45	-1.0	-49.94	349.22	8.69	-41.25
COC1=NC=CC=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595766	0	39	-1.0	-53.17	321.29	3.57	-49.60
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CC1=NC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)N1C	REAL300007595768	0	39	-1.0	-55.71	316.64	5.14	-50.57
CC1=CSC(C)=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595769	0	39	-1.0	-48.18	318.74	6.83	-41.35
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CC1(C)COC2=C(S(=O)(=O)N3CCC4(CC4C(=O)[O-])CC3)C=NN2C1	REAL300007595773	0	47	-1.0	-50.87	375.80	4.37	-46.50
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COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1C	REAL300007595776	0	52	-1.0	-51.77	398.84	8.28	-43.49
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595777	0	46	-1.0	-47.40	362.97	7.59	-39.81
CC1CC2=CC=CC(S(=O)(=O)N3CCC4(CC4C(=O)[O-])CC3)=C2O1	REAL300007595778	0	44	-1.0	-52.20	353.37	6.94	-45.26
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)S1	REAL300007595779	0	44	-1.0	-50.25	370.69	5.97	-44.28
O=C([O-])C1CC12CCN(S(=O)(=O)C1=C(Cl)C=CC3=C1OCCO3)CC2	REAL300007595780	0	42	-1.0	-53.08	352.43	6.82	-46.26
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595781	0	41	-1.0	-60.23	340.03	5.80	-54.43
CCN1N=NC=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595782	0	38	-1.0	-53.47	312.15	3.44	-50.03
O=C([O-])C1CC12CCN(S(=O)(=O)N1C[C@@H]3CCC[C@@H]3C1)CC2	REAL300007595783	0	45	-1.0	-54.24	346.22	6.30	-47.94
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CC3=NON=C3C=C1)CC2	REAL300007595784	0	37	-1.0	-51.78	315.98	5.09	-46.69
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CC3=CC=CC=C3S1)CC2	REAL300007595785	0	39	-1.0	-53.64	340.86	7.75	-45.89
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595786	0	43	-1.0	-53.89	353.99	6.07	-47.82
CC1=CC(C)=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C)=C1F	REAL300007595787	0	45	-1.0	-51.31	347.92	8.25	-43.06
COC1=CC=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1OC	REAL300007595788	0	44	-1.0	-52.60	353.69	6.18	-46.42
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CN1C=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300007595790	0	49	-1.0	-50.39	387.19	7.12	-43.27
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595791	0	48	-1.0	-53.96	377.84	6.86	-47.10
CCCCN1C=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C)=N1	REAL300007595792	0	48	-1.0	-53.87	380.21	6.78	-47.09
CN1C=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C2CC2)=N1	REAL300007595793	0	43	-1.0	-55.92	354.32	6.19	-49.73
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CC=C(OC(F)F)C=C1)CC2	REAL300007595794	0	40	-1.0	-52.11	340.31	5.86	-46.25
CN1N=NC2=C(S(=O)(=O)N3CCC4(CC4C(=O)[O-])CC3)C=CC=C21	REAL300007595795	0	41	-1.0	-64.70	342.96	4.84	-59.86
CC1(C)CCCN(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C1	REAL300007595796	0	47	-1.0	-47.96	355.53	6.66	-41.30
CN1C=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C2CCC2)=N1	REAL300007595797	0	46	-1.0	-53.82	362.68	6.25	-47.57
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007595798	0	54	-1.0	-51.48	410.02	10.19	-41.29
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CN(CC3CCC3)N=C1)CC2	REAL300007595799	0	46	-1.0	-51.19	375.04	6.94	-44.25
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COC1=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300007595802	0	45	-1.0	-58.28	366.52	7.50	-50.78
CCCC1=CC=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007595803	0	45	-1.0	-49.66	365.46	8.49	-41.17
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595804	0	43	-1.0	-52.71	344.80	5.74	-46.97
O=C([O-])C1CC12CCN(S(=O)(=O)N1C[C@@H]3CC[C@@H]3C1)CC2	REAL300007595805	0	42	-1.0	-48.52	329.32	5.80	-42.72
CC1=CC=CC(C)=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595806	0	42	-1.0	-52.38	323.73	7.67	-44.71
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595807	0	45	-1.0	-49.67	346.57	5.89	-43.78
CC(C)(C)N1C=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=N1	REAL300007595808	0	45	-1.0	-51.55	365.58	6.01	-45.54
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CNN=C1C1CCC1)CC2	REAL300007595809	0	43	-1.0	-52.66	339.54	4.90	-47.76
CC1=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300007595810	0	41	-1.0	-49.88	352.08	6.12	-43.76
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)CC2	REAL300007595811	0	39	-1.0	-48.84	346.20	7.35	-41.49
CC1=NN(C)C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007595812	0	39	-1.0	-49.49	320.73	4.32	-45.17
CC1=CC=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1C	REAL300007595813	0	42	-1.0	-50.49	328.15	7.54	-42.95
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007595814	0	47	-1.0	-53.26	385.65	8.31	-44.95
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CC3=CC=CC=C3CCC1)CC2	REAL300007595815	0	47	-1.0	-49.94	369.90	9.31	-40.63
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CC3=CC(Cl)=CC=C3OC1)CC2	REAL300007595816	0	42	-1.0	-53.68	363.28	7.34	-46.34
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CN(C1CCC1)S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595818	0	41	-1.0	-48.42	321.27	5.41	-43.01
O=C([O-])C1CC12CCN(S(=O)(=O)CC1=NOC3=C1COCC3)CC2	REAL300007595819	0	43	-1.0	-55.61	354.17	4.66	-50.95
O=C([O-])C1CC12CCN(C(=O)N1CCC(F)(F)CC1)CC2	REAL300007595820	0	40	-1.0	-51.59	302.98	7.78	-43.81
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CSC=C1C(F)(F)F)CC2	REAL300007595821	0	36	-1.0	-48.55	318.75	6.35	-42.20
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CC=CC(C3CC3)=C1)CC2	REAL300007595822	0	43	-1.0	-49.92	350.29	8.39	-41.53
COC1=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C=CS1	REAL300007595823	0	37	-1.0	-49.10	319.98	4.85	-44.25
O=C([O-])C1CC12CCN(S(=O)(=O)C1=CC=NN1C1CCCC1)CC2	REAL300007595824	0	46	-1.0	-49.34	363.74	6.69	-42.65
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595825	0	45	-1.0	-49.18	358.34	6.00	-43.18
CN(C(C)(C)C)S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595826	0	43	-1.0	-47.66	318.09	5.24	-42.42
CCC1=CC=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)O1	REAL300007595827	0	39	-1.0	-52.76	328.09	5.91	-46.85
CN(C1CCCCCC1)S(=O)(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007595828	0	50	-1.0	-47.46	366.37	7.07	-40.39
CN1C=C(S(=O)(=O)N2CCC3(CC3C(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300007595829	0	50	-1.0	-50.61	396.46	5.32	-45.29
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O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007595936	0	29	-1.0	-48.59	271.40	5.34	-43.25
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595937	0	39	-1.0	-60.36	312.69	6.16	-54.20
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595938	0	35	-1.0	-51.79	298.03	6.82	-44.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007595939	0	36	-1.0	-52.42	307.76	5.94	-46.48
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007595940	0	38	-1.0	-60.41	320.35	3.23	-57.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007595941	0	36	-1.0	-48.10	306.49	5.50	-42.60
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300007595942	0	43	-1.0	-55.53	335.29	5.41	-50.12
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595943	0	35	-1.0	-51.73	280.46	6.37	-45.36
CN(C1CCCCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595944	0	43	-1.0	-52.68	314.19	6.01	-46.67
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595945	0	38	-1.0	-53.44	296.84	4.86	-48.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007595946	0	48	-1.0	-54.56	361.48	9.52	-45.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007595947	0	38	-1.0	-54.62	305.40	4.85	-49.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007595948	0	32	-1.0	-51.44	265.26	5.71	-45.73
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007595949	0	32	-1.0	-49.76	281.80	6.33	-43.43
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595950	0	37	-1.0	-44.10	277.25	6.57	-37.53
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007595951	0	38	-1.0	-50.00	324.85	7.70	-42.30
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595952	0	42	-1.0	-59.13	346.18	2.26	-56.87
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007595953	0	43	-1.0	-58.63	342.07	7.54	-51.09
CC1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007595954	0	35	-1.0	-56.98	288.49	6.42	-50.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007595955	0	38	-1.0	-54.17	306.18	6.12	-48.05
COCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007595956	0	39	-1.0	-55.60	314.72	5.44	-50.16
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007595957	0	38	-1.0	-53.45	309.75	3.28	-50.17
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007595958	0	41	-1.0	-68.67	344.67	3.92	-64.75
CS(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595959	0	37	-1.0	-63.64	311.85	1.72	-61.92
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300007595960	0	42	-1.0	-52.98	321.69	6.14	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007595961	0	37	-1.0	-53.46	318.67	5.79	-47.67
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007595962	0	35	-1.0	-51.24	307.92	7.03	-44.21
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007595963	0	37	-1.0	-59.36	300.66	6.08	-53.28
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300007595964	0	42	-1.0	-56.13	332.08	1.24	-54.89
CN(C1CCOCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595965	0	41	-1.0	-45.20	304.76	3.55	-41.65
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007595966	0	41	-1.0	-60.37	333.76	6.85	-53.52
CCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007595967	0	41	-1.0	-53.49	318.66	5.72	-47.77
CC(C)N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007595968	0	38	-1.0	-57.93	305.69	4.72	-53.21
CC(C)CN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007595969	0	41	-1.0	-65.14	326.25	7.61	-57.53
CC(C)N1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007595970	0	38	-1.0	-64.86	307.13	6.74	-58.12
CC(C)C1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1	REAL300007595971	0	38	-1.0	-53.33	304.68	4.08	-49.25
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595972	0	44	-1.0	-55.81	311.00	8.12	-47.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007595973	0	45	-1.0	-58.04	356.08	7.96	-50.08
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007595974	0	40	-1.0	-70.81	326.86	5.07	-65.74
COC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300007595975	0	40	-1.0	-50.05	332.08	5.18	-44.87
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007595976	0	35	-1.0	-55.61	300.16	6.86	-48.75
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595977	0	35	-1.0	-50.46	268.55	5.83	-44.63
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007595978	0	38	-1.0	-53.28	306.89	7.78	-45.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007595979	0	37	-1.0	-49.20	313.57	7.37	-41.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007595980	0	36	-1.0	-52.26	306.42	5.33	-46.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007595981	0	39	-1.0	-53.51	320.43	7.24	-46.27
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595982	0	47	-1.0	-58.51	357.59	6.82	-51.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007595983	0	35	-1.0	-51.25	293.82	6.64	-44.61
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007595984	0	43	-1.0	-61.82	346.36	5.21	-56.61
COC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596001	0	36	-1.0	-54.30	311.46	5.61	-48.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007596002	0	36	-1.0	-56.12	300.19	5.73	-50.39
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007596003	0	38	-1.0	-49.29	316.18	6.43	-42.86
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596004	0	38	-1.0	-50.59	302.54	6.83	-43.76
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596005	0	38	-1.0	-52.86	315.51	7.21	-45.65
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007596006	0	38	-1.0	-50.24	315.37	7.20	-43.04
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596007	0	41	-1.0	-53.45	313.23	7.32	-46.13
O=C([O-])C1CCCCN1S(=O)(=O)CCCN1CCOCC1	REAL300007596008	0	44	-1.0	-52.26	336.62	2.69	-49.57
CCOC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596009	0	39	-1.0	-61.40	312.28	5.91	-55.49
COCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007596010	0	39	-1.0	-49.80	320.74	3.26	-46.54
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007596011	0	39	-1.0	-54.87	324.00	6.25	-48.62
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007596012	0	59	-1.0	-53.07	447.65	10.39	-42.68
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007596013	0	40	-1.0	-51.01	336.40	7.88	-43.13
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007596014	0	37	-1.0	-54.75	303.52	6.14	-48.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007596015	0	35	-1.0	-54.90	307.92	7.02	-47.88
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007596016	0	35	-1.0	-52.75	303.35	6.95	-45.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007596017	0	39	-1.0	-64.00	325.34	3.56	-60.44
CC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596018	0	35	-1.0	-54.56	303.38	6.95	-47.61
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596019	0	35	-1.0	-50.83	281.29	6.31	-44.52
COCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596020	0	39	-1.0	-54.31	305.13	5.52	-48.79
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300007596021	0	36	-1.0	-50.27	309.81	5.64	-44.63
COC1=CC(OC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007596022	0	40	-1.0	-58.57	329.48	5.27	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007596023	0	35	-1.0	-60.07	304.89	4.70	-55.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007596024	0	35	-1.0	-50.58	300.07	4.50	-46.08
CC1(C)CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300007596025	0	43	-1.0	-54.96	338.12	6.94	-48.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007596026	0	35	-1.0	-47.85	299.21	4.64	-43.21
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596027	0	43	-1.0	-53.51	332.99	3.99	-49.52
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596028	0	44	-1.0	-58.73	363.31	4.93	-53.80
CSC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596029	0	36	-1.0	-58.26	294.27	6.39	-51.87
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007596030	0	40	-1.0	-56.89	339.23	2.49	-54.40
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596031	0	46	-1.0	-56.23	378.80	3.49	-52.74
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596032	0	43	-1.0	-74.50	342.87	5.11	-69.39
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007596033	0	43	-1.0	-55.85	360.70	3.38	-52.47
CCC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596034	0	41	-1.0	-54.70	329.51	7.85	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CS1	REAL300007596035	0	35	-1.0	-52.77	298.35	6.29	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007596036	0	47	-1.0	-60.17	374.40	6.12	-54.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007596037	0	44	-1.0	-64.02	351.00	5.00	-59.02
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596038	0	41	-1.0	-66.57	343.11	4.13	-62.44
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596039	0	42	-1.0	-71.71	351.97	3.00	-68.71
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007596040	0	41	-1.0	-56.03	325.09	7.64	-48.39
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007596041	0	39	-1.0	-49.77	332.70	6.58	-43.19
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007596042	0	46	-1.0	-60.11	368.83	8.75	-51.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007596043	0	36	-1.0	-54.78	310.55	6.18	-48.60
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596044	0	39	-1.0	-51.49	326.02	6.07	-45.42
CC1(C)CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCO1	REAL300007596045	0	41	-1.0	-50.87	306.02	3.77	-47.10
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2S1	REAL300007596046	0	46	-1.0	-54.81	373.92	7.63	-47.18
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596047	0	39	-1.0	-59.29	330.73	6.65	-52.64
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007596048	0	44	-1.0	-55.11	351.30	7.20	-47.91
CCS(=O)(=O)NCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596049	0	39	-1.0	-52.13	326.78	0.45	-51.68
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007596050	0	38	-1.0	-59.55	317.20	7.62	-51.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007596051	0	35	-1.0	-52.27	315.97	7.62	-44.65
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007596052	0	38	-1.0	-56.81	331.99	8.71	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007596053	0	35	-1.0	-50.16	305.76	7.10	-43.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007596054	0	38	-1.0	-54.70	309.49	7.86	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007596055	0	38	-1.0	-55.38	320.64	7.50	-47.88
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007596056	0	43	-1.0	-53.91	344.01	7.03	-46.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007596057	0	46	-1.0	-56.65	367.27	8.85	-47.80
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596058	0	45	-1.0	-60.27	366.17	7.24	-53.03
O=C([O-])C1CCCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007596059	0	43	-1.0	-53.34	362.86	2.76	-50.58
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007596060	0	41	-1.0	-58.36	335.47	8.83	-49.53
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1N(C)C	REAL300007596061	0	43	-1.0	-56.12	333.49	6.30	-49.82
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007596062	0	38	-1.0	-53.16	322.80	7.59	-45.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007596063	0	37	-1.0	-60.61	302.17	2.67	-57.94
O=C([O-])C1CCCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007596064	0	45	-1.0	-51.44	347.60	6.15	-45.29
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007596065	0	39	-1.0	-55.95	311.12	5.42	-50.53
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596066	0	41	-1.0	-67.87	347.32	3.92	-63.95
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007596067	0	36	-1.0	-49.61	316.15	7.16	-42.45
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596068	0	44	-1.0	-48.56	329.31	5.34	-43.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007596069	0	40	-1.0	-54.83	332.11	4.23	-50.60
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300007596070	0	39	-1.0	-54.83	321.94	3.37	-51.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007596071	0	43	-1.0	-48.12	354.30	5.42	-42.70
CN1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CN=C21	REAL300007596072	0	37	-1.0	-49.93	304.05	4.82	-45.11
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007596073	0	38	-1.0	-53.92	326.87	8.59	-45.33
CCC1=CC(CC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(CC)=C1	REAL300007596074	0	50	-1.0	-61.22	366.82	10.53	-50.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007596075	0	39	-1.0	-67.91	307.45	6.35	-61.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007596076	0	38	-1.0	-50.59	329.33	3.74	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007596077	0	41	-1.0	-59.28	323.65	9.19	-50.09
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1F	REAL300007596078	0	39	-1.0	-50.18	297.99	5.16	-45.02
CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300007596079	0	44	-1.0	-51.94	312.72	7.15	-44.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007596080	0	41	-1.0	-56.83	320.26	6.83	-50.00
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596081	0	50	0.0	-73.33	376.62	7.01	-66.32
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007596082	0	40	-1.0	-53.50	329.23	6.96	-46.54
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596083	0	39	-1.0	-55.09	332.75	5.92	-49.17
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300007596084	0	38	-1.0	-53.20	313.35	7.11	-46.09
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596085	0	44	0.0	-76.64	338.01	7.62	-69.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007596086	0	32	-1.0	-46.30	292.83	5.86	-40.44
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007596087	0	45	-1.0	-53.57	351.68	9.00	-44.57
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=NO1	REAL300007596088	0	43	-1.0	-60.72	344.74	6.42	-54.30
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007596089	0	41	-1.0	-64.29	324.27	2.88	-61.41
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007596090	0	35	-1.0	-51.14	296.43	6.14	-45.00
CC1=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])SC=N1	REAL300007596091	0	37	-1.0	-51.55	312.10	4.94	-46.61
O=C([O-])C1CCCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007596092	0	42	-1.0	-54.27	311.66	7.08	-47.19
COC1=CC=C2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])CCC2=C1	REAL300007596093	0	44	-1.0	-55.26	346.80	7.29	-47.97
O=C([O-])C1CCCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007596094	0	45	-1.0	-53.78	320.35	7.68	-46.10
CC(C)(CCS(=O)(=O)N1CCCCC1C(=O)[O-])S(C)(=O)=O	REAL300007596095	0	43	-1.0	-71.15	336.18	2.81	-68.34
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007596096	0	41	-1.0	-51.63	315.17	6.85	-44.78
O=C([O-])C1CCCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007596097	0	39	-1.0	-55.16	313.77	7.73	-47.43
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007596098	0	40	-1.0	-63.30	321.89	7.35	-55.95
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007596099	0	32	-1.0	-50.53	276.37	6.23	-44.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007596100	0	32	-1.0	-50.38	280.94	6.34	-44.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007596101	0	34	-1.0	-48.15	287.87	6.38	-41.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007596102	0	38	-1.0	-57.40	305.61	7.98	-49.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007596103	0	34	-1.0	-63.24	289.16	6.37	-56.87
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596104	0	37	-1.0	-58.38	304.96	6.88	-51.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007596105	0	34	-1.0	-65.40	276.30	6.78	-58.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596106	0	39	-1.0	-58.12	334.44	7.03	-51.09
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596107	0	39	-1.0	-53.12	310.98	5.93	-47.19
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007596108	0	44	-1.0	-57.89	318.88	8.19	-49.70
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007596109	0	41	-1.0	-60.54	312.06	7.97	-52.57
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596110	0	47	-1.0	-54.46	352.86	8.55	-45.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007596111	0	35	-1.0	-48.63	299.56	6.72	-41.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007596112	0	35	-1.0	-56.68	282.96	6.72	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007596113	0	32	-1.0	-49.86	277.24	6.22	-43.64
CC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596114	0	37	-1.0	-59.89	300.86	6.12	-53.77
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007596115	0	38	-1.0	-47.41	316.44	6.43	-40.98
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596116	0	44	-1.0	-54.98	335.94	8.03	-46.95
CC(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596117	0	41	-1.0	-55.02	319.88	7.64	-47.38
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596118	0	43	-1.0	-56.29	355.25	3.71	-52.58
CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596119	0	41	-1.0	-55.00	324.03	7.93	-47.07
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007596120	0	36	-1.0	-50.03	310.85	5.66	-44.37
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300007596121	0	35	-1.0	-51.57	300.43	6.87	-44.70
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=C1	REAL300007596122	0	46	-1.0	-53.58	370.58	9.26	-44.32
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007596123	0	36	-1.0	-51.15	305.63	5.50	-45.65
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300007596124	0	47	-1.0	-62.17	338.14	8.87	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007596125	0	41	-1.0	-52.99	323.77	5.64	-47.35
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596126	0	48	-1.0	-61.57	367.43	7.78	-53.79
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007596127	0	37	-1.0	-63.97	304.67	6.88	-57.09
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596128	0	36	-1.0	-58.33	312.58	6.11	-52.22
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596129	0	50	-1.0	-60.17	368.01	9.68	-50.49
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007596130	0	35	-1.0	-49.56	298.38	6.71	-42.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007596131	0	42	-1.0	-56.17	323.40	8.18	-47.99
COC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596132	0	40	-1.0	-64.16	320.74	4.78	-59.38
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300007596133	0	40	-1.0	-53.77	319.67	4.89	-48.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007596134	0	39	-1.0	-58.02	306.20	7.59	-50.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007596135	0	40	-1.0	-56.57	317.30	8.00	-48.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007596136	0	37	-1.0	-55.26	295.70	5.56	-49.70
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596137	0	47	-1.0	-54.86	363.10	9.22	-45.64
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OCC	REAL300007596138	0	46	-1.0	-53.43	363.10	6.72	-46.71
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596139	0	37	-1.0	-57.17	313.83	0.67	-56.50
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007596140	0	40	-1.0	-49.51	323.42	7.50	-42.01
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007596141	0	40	-1.0	-62.45	309.50	7.08	-55.37
CC1=CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2N=C1	REAL300007596142	0	40	-1.0	-60.59	316.98	7.23	-53.36
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007596143	0	38	-1.0	-62.73	305.86	6.12	-56.61
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596144	0	36	-1.0	-54.06	308.41	6.00	-48.06
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596145	0	37	-1.0	-55.40	315.13	0.65	-54.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007596146	0	44	-1.0	-54.45	369.69	3.53	-50.92
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596147	0	40	-1.0	-54.54	323.00	7.02	-47.52
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007596148	0	41	-1.0	-55.06	316.28	6.82	-48.24
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C12	REAL300007596149	0	40	-1.0	-55.77	308.06	6.31	-49.46
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007596150	0	40	-1.0	-66.72	313.72	8.07	-58.65
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596151	0	43	-1.0	-56.06	355.70	3.73	-52.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007596152	0	44	-1.0	-52.66	346.18	4.93	-47.73
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596153	0	38	-1.0	-66.60	321.64	3.23	-63.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007596154	0	42	-1.0	-60.14	327.53	9.25	-50.89
CC1CC(C)CN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300007596155	0	43	-1.0	-52.69	319.89	5.96	-46.73
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007596156	0	38	-1.0	-57.27	292.90	7.37	-49.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007596157	0	42	-1.0	-56.37	333.80	9.12	-47.25
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596158	0	35	-1.0	-54.21	283.14	6.28	-47.93
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300007596159	0	46	-1.0	-55.78	346.35	7.22	-48.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007596160	0	33	-1.0	-52.24	283.62	3.95	-48.29
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596161	0	36	-1.0	-58.60	308.01	6.00	-52.60
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596162	0	47	-1.0	-54.86	350.07	8.50	-46.36
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007596163	0	35	-1.0	-55.97	296.13	6.77	-49.20
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596164	0	42	-1.0	-55.50	330.11	6.62	-48.88
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007596165	0	35	-1.0	-55.01	303.36	6.92	-48.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007596166	0	33	-1.0	-45.17	276.93	4.07	-41.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007596167	0	37	-1.0	-57.02	315.45	7.83	-49.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007596168	0	37	-1.0	-61.23	295.63	6.58	-54.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007596169	0	43	-1.0	-56.67	366.22	9.17	-47.50
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596170	0	38	-1.0	-49.39	312.28	6.06	-43.33
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007596171	0	36	-1.0	-49.56	296.66	5.06	-44.50
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007596172	0	35	-1.0	-58.10	287.38	6.40	-51.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007596173	0	43	-1.0	-52.26	365.25	9.10	-43.16
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)C=C1	REAL300007596174	0	47	-1.0	-54.26	378.02	7.87	-46.39
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)C)=C1	REAL300007596175	0	59	-1.0	-60.97	427.52	11.85	-49.12
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007596176	0	48	-1.0	-56.95	362.33	8.34	-48.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007596177	0	35	-1.0	-48.08	318.55	7.38	-40.70
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007596178	0	42	-1.0	-57.24	320.75	6.69	-50.55
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596179	0	37	-1.0	-49.08	291.70	6.48	-42.60
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596180	0	37	-1.0	-46.63	286.31	6.32	-40.31
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596181	0	40	-1.0	-50.69	317.46	7.79	-42.90
CC(C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596182	0	44	-1.0	-55.21	340.79	8.40	-46.81
COCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596183	0	42	-1.0	-54.66	336.21	6.22	-48.44
COCCN(CCOC)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596184	0	44	-1.0	-50.95	331.22	2.79	-48.16
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596185	0	35	-1.0	-52.10	293.47	6.72	-45.38
COC1=C(C)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007596186	0	42	-1.0	-54.79	334.25	6.57	-48.22
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596187	0	48	-1.0	-54.11	371.54	8.04	-46.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007596188	0	46	-1.0	-54.93	354.97	7.96	-46.97
CC(C)COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596189	0	45	-1.0	-54.55	352.58	7.43	-47.12
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596190	0	42	-1.0	-52.93	332.48	6.74	-46.19
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007596191	0	36	-1.0	-49.97	306.46	5.55	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007596192	0	36	-1.0	-52.96	316.22	5.82	-47.14
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007596193	0	39	-1.0	-54.37	310.48	5.74	-48.63
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1OC(C)C	REAL300007596194	0	45	-1.0	-54.53	350.49	7.30	-47.23
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007596195	0	39	-1.0	-54.72	293.23	5.16	-49.56
COCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596196	0	43	-1.0	-57.61	344.60	5.21	-52.40
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007596197	0	35	-1.0	-53.41	291.94	6.43	-46.98
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596198	0	35	-1.0	-51.74	285.05	6.48	-45.26
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007596199	0	40	-1.0	-47.81	299.79	7.48	-40.33
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596200	0	41	-1.0	-66.18	337.44	3.72	-62.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007596201	0	44	-1.0	-56.53	368.64	3.56	-52.97
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596202	0	40	-1.0	-56.85	336.26	1.88	-54.97
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596203	0	40	-1.0	-63.44	318.66	3.35	-60.09
CC1=NC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007596204	0	34	-1.0	-53.45	286.92	3.89	-49.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007596205	0	35	-1.0	-55.63	296.66	7.00	-48.63
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300007596206	0	36	-1.0	-50.75	295.61	5.04	-45.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007596207	0	42	-1.0	-55.59	335.12	9.11	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007596208	0	35	-1.0	-49.86	320.13	7.45	-42.41
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])S2)=CS1	REAL300007596209	0	38	-1.0	-56.51	341.91	6.28	-50.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007596210	0	52	-1.0	-52.57	394.21	9.33	-43.24
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596211	0	40	-1.0	-64.15	324.77	7.08	-57.07
CNC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300007596212	0	40	-1.0	-54.63	324.10	3.31	-51.32
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007596213	0	42	-1.0	-59.83	325.24	6.87	-52.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007596214	0	43	-1.0	-57.78	344.88	9.81	-47.97
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007596215	0	42	-1.0	-53.97	326.17	6.26	-47.71
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007596216	0	40	-1.0	-58.92	309.69	6.96	-51.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007596217	0	37	-1.0	-54.65	287.60	5.55	-49.10
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCCCC1C(=O)[O-])=C2	REAL300007596218	0	45	-1.0	-57.90	360.47	9.51	-48.39
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007596219	0	37	-1.0	-46.66	304.37	6.01	-40.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007596220	0	39	-1.0	-51.75	330.56	6.40	-45.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007596221	0	46	-1.0	-55.80	370.88	8.99	-46.81
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596222	0	40	-1.0	-56.53	323.57	6.98	-49.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007596223	0	42	-1.0	-59.38	346.91	7.20	-52.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007596224	0	35	-1.0	-79.64	291.91	5.00	-74.64
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596225	0	54	-1.0	-50.74	387.61	8.21	-42.53
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596226	0	40	-1.0	-55.31	333.01	2.41	-52.90
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007596227	0	35	-1.0	-56.38	293.04	6.48	-49.90
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007596228	0	45	-1.0	-57.01	343.08	7.65	-49.36
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596229	0	42	-1.0	-60.23	334.56	7.08	-53.15
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007596230	0	37	-1.0	-56.45	308.08	5.88	-50.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007596231	0	39	-1.0	-52.95	320.78	6.70	-46.25
CCOCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596232	0	46	-1.0	-57.61	366.45	6.17	-51.44
CCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596233	0	48	-1.0	-52.63	375.48	8.30	-44.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007596234	0	42	-1.0	-56.78	304.55	7.66	-49.12
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007596235	0	38	-1.0	-57.03	308.21	7.14	-49.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007596236	0	36	-1.0	-52.72	316.01	7.17	-45.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007596237	0	37	-1.0	-53.35	296.64	4.99	-48.36
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007596238	0	40	-1.0	-63.23	323.74	7.18	-56.05
O=C([O-])C1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007596239	0	38	-1.0	-55.50	305.82	2.32	-53.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007596240	0	37	-1.0	-59.55	307.89	5.89	-53.66
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007596241	0	42	-1.0	-54.40	324.82	6.43	-47.97
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596242	0	40	-1.0	-64.99	337.56	1.87	-63.12
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007596243	0	36	-1.0	-55.92	293.73	5.66	-50.26
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596244	0	36	-1.0	-52.76	299.83	6.73	-46.03
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007596245	0	38	-1.0	-56.10	325.35	7.40	-48.70
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596246	0	43	-1.0	-64.78	344.43	7.79	-56.99
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1C	REAL300007596247	0	38	-1.0	-66.53	307.31	6.10	-60.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007596248	0	38	-1.0	-56.67	295.75	5.08	-51.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007596249	0	37	-1.0	-54.65	287.94	5.48	-49.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007596250	0	44	-1.0	-57.52	354.29	7.62	-49.90
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300007596251	0	38	-1.0	-56.99	315.38	7.22	-49.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007596252	0	38	-1.0	-59.41	334.50	7.16	-52.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007596253	0	41	-1.0	-53.77	327.07	7.37	-46.40
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300007596254	0	40	-1.0	-55.96	326.99	5.36	-50.60
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596255	0	39	-1.0	-53.14	328.70	6.69	-46.45
COCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596256	0	39	-1.0	-55.76	315.60	5.42	-50.34
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2O1	REAL300007596257	0	43	-1.0	-60.20	342.32	6.97	-53.23
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007596258	0	35	-1.0	-52.83	300.12	6.85	-45.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007596259	0	44	-1.0	-63.81	356.21	4.21	-59.60
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007596260	0	39	-1.0	-49.71	332.63	6.21	-43.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007596261	0	40	-1.0	-62.98	321.26	5.97	-57.01
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007596262	0	35	-1.0	-51.79	307.83	7.11	-44.68
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300007596263	0	40	-1.0	-55.52	316.73	6.32	-49.20
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596264	0	44	-1.0	-60.97	326.43	9.40	-51.57
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596265	0	44	-1.0	-63.15	346.36	4.30	-58.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007596266	0	43	-1.0	-53.59	365.89	9.09	-44.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007596267	0	38	-1.0	-62.97	328.10	7.09	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007596268	0	38	-1.0	-59.29	344.82	7.61	-51.68
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=CO1	REAL300007596269	0	41	-1.0	-62.39	336.01	4.78	-57.61
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007596270	0	35	-1.0	-46.29	296.99	4.24	-42.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007596271	0	35	-1.0	-54.53	290.05	6.07	-48.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007596272	0	35	-1.0	-58.02	286.97	4.35	-53.67
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007596273	0	35	-1.0	-53.48	287.90	2.34	-51.14
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007596274	0	40	-1.0	-55.25	314.38	6.30	-48.95
O=C([O-])C1CCCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007596275	0	39	-1.0	-55.20	310.32	7.75	-47.45
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=N2)C=C1	REAL300007596276	0	42	-1.0	-58.00	342.90	7.44	-50.56
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC(Cl)=C2O1	REAL300007596277	0	40	-1.0	-50.15	334.47	6.80	-43.35
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007596278	0	37	-1.0	-49.80	305.70	6.90	-42.90
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007596279	0	43	-1.0	-56.74	348.73	6.40	-50.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007596280	0	34	-1.0	-53.82	292.74	5.16	-48.66
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596281	0	40	-1.0	-57.30	311.56	6.14	-51.16
CC1=CC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C=C1	REAL300007596282	0	41	-1.0	-57.54	326.96	8.64	-48.90
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC=C1	REAL300007596283	0	33	-1.0	-55.53	280.56	4.73	-50.80
CN(C)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596284	0	40	-1.0	-56.10	309.01	6.02	-50.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007596285	0	37	-1.0	-58.02	293.99	5.41	-52.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007596286	0	37	-1.0	-52.02	307.17	5.64	-46.38
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007596287	0	37	-1.0	-54.16	296.46	5.51	-48.65
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007596288	0	38	-1.0	-50.63	324.91	7.73	-42.90
CN1CCCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300007596289	0	44	-1.0	-59.30	334.95	6.24	-53.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007596290	0	34	-1.0	-52.23	296.23	4.96	-47.27
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596291	0	40	-1.0	-61.09	313.09	6.05	-55.04
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596292	0	40	-1.0	-46.44	307.89	6.94	-39.50
CC1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007596293	0	40	-1.0	-77.37	323.65	8.62	-68.75
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007596294	0	40	-1.0	-63.20	307.76	6.97	-56.23
COC1=CC=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596295	0	42	-1.0	-52.74	337.69	6.51	-46.23
COC1=CN=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596296	0	35	-1.0	-53.99	285.29	3.13	-50.86
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007596297	0	41	-1.0	-53.51	333.26	7.32	-46.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007596298	0	39	-1.0	-55.00	308.95	7.82	-47.18
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(OC)=C1	REAL300007596299	0	40	-1.0	-58.64	318.73	4.31	-54.33
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CCCCC1	REAL300007596300	0	44	-1.0	-52.08	328.91	7.37	-44.71
CC1=CC=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596301	0	41	-1.0	-53.18	329.59	7.88	-45.30
CC1=CC2=C(C=C1S(=O)(=O)N1CCCCC1C(=O)[O-])OCO2	REAL300007596302	0	38	-1.0	-60.14	296.82	4.89	-55.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007596303	0	35	-1.0	-57.06	287.61	5.87	-51.19
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300007596304	0	36	-1.0	-50.46	305.42	5.52	-44.94
CN1C=NC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007596305	0	38	-1.0	-58.53	308.87	7.02	-51.51
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007596306	0	40	-1.0	-69.82	318.07	7.60	-62.22
CC1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2O1	REAL300007596307	0	37	-1.0	-54.26	304.25	3.34	-50.92
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300007596308	0	44	-1.0	-57.16	337.97	8.25	-48.91
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596309	0	40	-1.0	-52.89	321.28	8.09	-44.80
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596310	0	42	-1.0	-53.68	315.11	6.48	-47.20
CC1=C(C)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596311	0	35	-1.0	-54.30	293.21	6.05	-48.25
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596312	0	33	-1.0	-50.79	275.49	3.53	-47.26
CCC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007596313	0	34	-1.0	-48.85	290.26	4.29	-44.56
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007596314	0	39	-1.0	-58.08	309.11	5.52	-52.56
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007596315	0	35	-1.0	-52.16	292.64	6.07	-46.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007596316	0	38	-1.0	-66.42	307.18	7.26	-59.16
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007596317	0	35	-1.0	-53.44	285.63	4.20	-49.24
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(C)=C1F	REAL300007596318	0	38	-1.0	-51.45	307.71	7.03	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007596319	0	39	-1.0	-54.76	315.73	5.46	-49.30
O=C([O-])C1CCCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007596320	0	45	-1.0	-54.23	363.70	7.26	-46.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007596321	0	36	-1.0	-55.93	297.47	5.43	-50.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007596322	0	34	-1.0	-57.22	289.16	5.20	-52.02
CC1=NC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=CS1	REAL300007596323	0	34	-1.0	-59.93	293.21	4.09	-55.84
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007596324	0	35	-1.0	-51.25	303.35	6.93	-44.32
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300007596325	0	35	-1.0	-51.51	296.39	6.79	-44.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007596326	0	38	-1.0	-71.18	309.04	6.66	-64.52
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=N1	REAL300007596327	0	41	-1.0	-53.12	345.85	7.18	-45.94
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007596328	0	40	-1.0	-59.03	304.49	6.68	-52.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007596329	0	39	-1.0	-59.43	325.81	3.55	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007596330	0	41	-1.0	-53.94	316.84	5.84	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007596331	0	35	-1.0	-49.23	300.71	6.75	-42.48
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596332	0	57	-1.0	-54.28	439.97	10.64	-43.64
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596333	0	45	-1.0	-53.32	350.78	7.37	-45.95
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCC1	REAL300007596334	0	45	-1.0	-52.14	336.59	5.93	-46.21
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300007596335	0	48	-1.0	-53.81	348.85	6.97	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007596336	0	46	-1.0	-59.65	378.43	9.04	-50.61
CCOC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CC1	REAL300007596337	0	42	-1.0	-52.34	325.60	6.08	-46.26
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007596338	0	51	-1.0	-53.79	392.39	8.74	-45.05
CCC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1CC1CC1	REAL300007596339	0	45	-1.0	-66.55	360.40	8.27	-58.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007596340	0	35	-1.0	-54.24	299.90	5.09	-49.15
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007596341	0	40	-1.0	-44.71	325.07	7.78	-36.93
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596342	0	39	-1.0	-54.43	307.22	5.66	-48.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007596343	0	45	-1.0	-52.19	358.24	7.79	-44.40
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596344	0	35	-1.0	-48.52	299.26	4.01	-44.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007596345	0	43	-1.0	-53.44	361.13	9.80	-43.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007596346	0	42	-1.0	-62.46	325.30	8.89	-53.57
CCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)C=C1OC	REAL300007596347	0	45	-1.0	-57.11	334.64	6.60	-50.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007596348	0	38	-1.0	-49.27	330.86	7.59	-41.68
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=N1	REAL300007596349	0	34	-1.0	-61.40	289.85	4.97	-56.43
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007596350	0	41	-1.0	-62.75	314.52	8.84	-53.91
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007596351	0	41	-1.0	-53.76	330.14	4.21	-49.55
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596352	0	36	-1.0	-49.94	287.92	5.59	-44.35
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007596353	0	48	-1.0	-53.98	370.89	7.94	-46.04
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007596354	0	44	-1.0	-57.80	338.89	7.94	-49.86
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007596355	0	51	-1.0	-54.19	388.49	10.23	-43.96
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596356	0	42	-1.0	-55.14	321.35	5.92	-49.22
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007596357	0	44	-1.0	-55.55	329.08	5.59	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007596358	0	42	-1.0	-57.13	328.41	6.00	-51.13
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596359	0	35	-1.0	-54.75	288.37	4.35	-50.40
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596360	0	39	-1.0	-53.17	318.36	6.25	-46.92
C=CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596361	0	42	-1.0	-55.24	336.84	8.49	-46.75
CCC1=NN(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596362	0	38	-1.0	-57.67	304.56	4.48	-53.19
CCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007596363	0	54	-1.0	-54.70	411.95	9.47	-45.23
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007596364	0	36	-1.0	-51.83	311.73	7.35	-44.48
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)(C)C	REAL300007596365	0	54	-1.0	-55.53	402.95	9.35	-46.18
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300007596366	0	48	-1.0	-55.59	375.48	8.20	-47.39
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596367	0	38	-1.0	-56.02	309.81	7.94	-48.08
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596368	0	38	-1.0	-51.93	323.59	7.60	-44.33
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007596369	0	36	-1.0	-53.84	309.34	7.26	-46.58
CCCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596370	0	41	-1.0	-55.19	310.66	7.90	-47.29
COC1=NC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596371	0	35	-1.0	-54.84	289.56	2.88	-51.96
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596372	0	48	-1.0	-59.64	374.79	8.60	-51.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007596373	0	37	-1.0	-53.67	287.90	5.50	-48.17
CC1=CSC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596374	0	35	-1.0	-56.93	283.06	6.42	-50.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007596375	0	39	-1.0	-51.16	310.90	5.34	-45.82
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007596376	0	39	-1.0	-52.96	305.27	5.40	-47.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007596377	0	42	-1.0	-53.13	323.70	6.37	-46.76
CC1(C)COC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=NN2C1	REAL300007596378	0	43	-1.0	-59.99	340.21	3.76	-56.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007596379	0	38	-1.0	-52.18	327.09	6.62	-45.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007596380	0	39	-1.0	-60.33	301.21	5.68	-54.65
CCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007596381	0	57	-1.0	-53.53	435.39	10.30	-43.23
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007596382	0	48	-1.0	-56.42	348.67	6.99	-49.43
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596383	0	42	-1.0	-58.56	327.96	6.94	-51.62
CCOCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007596384	0	55	-1.0	-55.59	426.37	8.16	-47.43
CC1CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2O1	REAL300007596385	0	40	-1.0	-59.53	321.47	6.34	-53.19
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007596386	0	40	-1.0	-49.73	328.93	5.37	-44.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007596387	0	38	-1.0	-57.97	310.49	6.44	-51.53
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596388	0	37	-1.0	-64.53	294.13	5.19	-59.34
O=C([O-])C1CCCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007596389	0	41	-1.0	-56.02	306.52	5.74	-50.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007596390	0	36	-1.0	-51.04	317.74	6.30	-44.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007596391	0	33	-1.0	-45.34	275.65	4.48	-40.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007596392	0	35	-1.0	-55.37	299.08	7.15	-48.22
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596393	0	39	-1.0	-52.80	312.86	5.05	-47.75
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1F	REAL300007596394	0	41	-1.0	-59.80	316.77	8.00	-51.80
COC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300007596395	0	40	-1.0	-62.50	317.11	5.10	-57.40
O=C([O-])C1CCCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007596396	0	35	-1.0	-53.22	286.69	5.71	-47.51
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCCC2)=N1	REAL300007596397	0	45	-1.0	-59.17	348.82	6.28	-52.89
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596398	0	44	-1.0	-55.17	341.11	6.43	-48.74
CCCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=N1	REAL300007596399	0	44	-1.0	-51.16	349.77	6.25	-44.91
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CC2)=N1	REAL300007596400	0	39	-1.0	-53.78	303.04	4.85	-48.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007596401	0	36	-1.0	-53.78	298.87	5.29	-48.49
CN1N=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C21	REAL300007596402	0	37	-1.0	-56.91	303.78	4.02	-52.89
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007596403	0	38	-1.0	-56.89	302.88	6.99	-49.90
CC1(C)CCCN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300007596404	0	43	-1.0	-52.16	313.24	5.79	-46.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007596405	0	38	-1.0	-48.16	328.70	6.74	-41.42
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCC2)=N1	REAL300007596406	0	42	-1.0	-53.95	332.39	6.01	-47.94
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596407	0	50	-1.0	-57.25	359.37	8.86	-48.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007596408	0	38	-1.0	-48.33	331.71	7.58	-40.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007596409	0	42	-1.0	-49.77	334.20	6.22	-43.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007596410	0	36	-1.0	-56.25	298.33	6.50	-49.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007596411	0	43	-1.0	-53.06	359.71	8.10	-44.96
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007596412	0	41	-1.0	-73.39	324.49	7.59	-65.80
CCCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596413	0	41	-1.0	-54.93	324.92	7.91	-47.02
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596414	0	39	-1.0	-56.16	307.88	5.37	-50.79
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596415	0	41	-1.0	-53.09	306.01	5.32	-47.77
CC(C)(C)N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007596416	0	41	-1.0	-58.43	325.44	5.35	-53.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007596417	0	39	-1.0	-49.67	298.15	4.00	-45.67
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007596418	0	37	-1.0	-51.76	310.33	5.26	-46.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007596419	0	35	-1.0	-48.67	306.14	6.77	-41.90
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596420	0	43	-1.0	-56.09	345.07	7.75	-48.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007596421	0	43	-1.0	-57.92	330.13	8.59	-49.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007596422	0	38	-1.0	-52.07	322.99	6.64	-45.43
O=C([O-])C1CCCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007596423	0	38	-1.0	-54.92	302.27	6.06	-48.86
O=C([O-])C1CCCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007596424	0	39	-1.0	-62.51	315.94	4.05	-58.46
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596425	0	42	-1.0	-51.44	355.84	6.48	-44.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007596426	0	32	-1.0	-53.55	278.85	5.65	-47.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007596427	0	39	-1.0	-54.70	309.89	7.79	-46.91
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=CS1	REAL300007596428	0	33	-1.0	-57.21	287.27	4.17	-53.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007596429	0	42	-1.0	-53.48	326.91	5.88	-47.60
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596430	0	41	-1.0	-49.42	317.78	5.24	-44.18
CN(C1CCCCCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596431	0	46	-1.0	-52.86	324.71	6.51	-46.35
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007596432	0	46	-1.0	-51.98	346.43	4.14	-47.84
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596433	0	38	-1.0	-58.21	314.16	7.23	-50.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007596434	0	36	-1.0	-53.77	299.75	5.29	-48.48
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007596435	0	47	-1.0	-52.58	355.32	8.28	-44.30
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007596436	0	33	-1.0	-52.43	284.06	4.12	-48.31
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C12	REAL300007596437	0	43	-1.0	-76.13	334.06	7.98	-68.15
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007596438	0	40	-1.0	-50.26	315.79	5.71	-44.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007596439	0	35	-1.0	-48.74	293.66	4.35	-44.39
CCOCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596440	0	42	-1.0	-55.85	337.45	6.39	-49.46
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596441	0	42	-1.0	-54.62	340.52	6.52	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007596442	0	45	-1.0	-57.06	347.33	6.59	-50.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007596443	0	43	-1.0	-53.62	348.75	8.57	-45.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007596444	0	35	-1.0	-61.77	284.56	6.94	-54.83
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(C)=C1Br	REAL300007596445	0	38	-1.0	-52.16	318.38	7.43	-44.73
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007596446	0	41	-1.0	-58.63	310.61	7.90	-50.73
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007596447	0	42	-1.0	-62.07	339.68	6.79	-55.28
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007596448	0	36	-1.0	-53.13	301.35	6.86	-46.27
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007596449	0	36	-1.0	-51.68	316.30	7.45	-44.23
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007596450	0	36	-1.0	-52.58	316.23	7.42	-45.16
O=C([O-])C1CCCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007596451	0	37	-1.0	-54.92	306.76	-0.39	-55.31
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007596452	0	35	-1.0	-57.82	288.22	5.71	-52.11
O=C([O-])C1CCCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007596453	0	38	-1.0	-50.91	299.69	6.43	-44.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007596454	0	34	-1.0	-52.96	291.53	5.07	-47.89
O=C([O-])C1CCCCN1S(=O)(=O)CCOC1CCOC1	REAL300007596455	0	40	-1.0	-50.71	317.66	2.89	-47.82
CC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007596456	0	41	-1.0	-64.65	329.80	5.37	-59.28
O=C([O-])C1CCCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007596457	0	49	-1.0	-55.00	339.87	8.53	-46.47
CC1(C)COC(CS(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300007596458	0	42	-1.0	-54.01	323.05	5.18	-48.83
O=C([O-])C1CCCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007596459	0	35	-1.0	-56.85	293.93	1.40	-55.45
CC(C)(CS(=O)(=O)N1CCCCC1C(=O)[O-])C(C)(F)F	REAL300007596460	0	40	-1.0	-52.06	301.93	6.11	-45.95
CS(=O)(=O)CCCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596461	0	40	-1.0	-61.37	333.40	2.53	-58.84
CC1(C)CCC(CS(=O)(=O)N2CCCCC2C(=O)[O-])OC1	REAL300007596462	0	45	-1.0	-52.83	337.65	5.85	-46.98
O=C([O-])C1CCCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007596463	0	42	-1.0	-52.16	333.47	8.00	-44.16
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007596464	0	36	-1.0	-60.92	309.98	4.77	-56.15
O=C([O-])C1CCCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007596465	0	42	-1.0	-51.46	344.77	8.56	-42.90
O=C([O-])C1CCCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007596466	0	41	-1.0	-58.20	315.54	3.62	-54.58
O=C([O-])C1CCCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007596467	0	45	-1.0	-52.77	330.44	7.69	-45.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007596468	0	36	-1.0	-52.95	304.07	7.02	-45.93
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007596469	0	54	-1.0	-57.65	390.01	9.87	-47.78
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596470	0	43	-1.0	-53.85	339.78	6.80	-47.05
COC1=CSC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300007596471	0	37	-1.0	-50.95	311.22	4.47	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007596472	0	44	-1.0	-55.66	320.95	6.28	-49.38
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596473	0	43	-1.0	-51.67	336.96	7.39	-44.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007596474	0	36	-1.0	-56.89	306.99	6.31	-50.58
COC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300007596475	0	36	-1.0	-60.27	298.62	5.42	-54.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007596476	0	36	-1.0	-56.80	302.91	5.33	-51.47
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596477	0	38	-1.0	-55.91	300.90	5.64	-50.27
CN1C=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007596478	0	39	-1.0	-59.44	314.62	7.46	-51.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007596479	0	41	-1.0	-53.45	339.79	6.19	-47.26
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596480	0	45	-1.0	-59.78	358.34	8.18	-51.60
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007596481	0	43	-1.0	-53.32	349.14	8.54	-44.78
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596482	0	38	-1.0	-63.23	296.81	7.16	-56.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007596483	0	33	-1.0	-49.09	300.38	4.43	-44.66
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596484	0	43	-1.0	-62.80	344.27	7.30	-55.50
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CC2)=N1	REAL300007596485	0	42	-1.0	-52.92	328.08	5.94	-46.98
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NSN=C2C=C1	REAL300007596486	0	36	-1.0	-55.96	284.89	5.34	-50.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007596487	0	38	-1.0	-54.36	322.31	8.48	-45.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007596488	0	42	-1.0	-55.76	353.20	9.71	-46.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007596489	0	31	-1.0	-59.29	289.00	4.38	-54.91
CCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300007596490	0	38	-1.0	-51.22	319.70	7.55	-43.67
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596491	0	45	-1.0	-53.76	348.68	6.91	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007596492	0	29	-1.0	-46.34	269.08	5.23	-41.11
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596493	0	46	-1.0	-61.75	367.85	6.00	-55.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007596494	0	38	-1.0	-54.36	308.83	7.90	-46.46
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596495	0	40	-1.0	-55.06	309.82	3.51	-51.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007596496	0	39	-1.0	-57.33	288.36	7.00	-50.33
CC1(C)CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300007596497	0	43	-1.0	-51.69	312.46	5.69	-46.00
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007596498	0	47	-1.0	-53.67	362.75	6.15	-47.52
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596499	0	35	-1.0	-51.02	298.70	3.30	-47.72
COC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007596500	0	38	-1.0	-50.63	308.05	3.11	-47.52
CC(C)CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007596501	0	41	-1.0	-57.99	323.87	5.79	-52.20
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596502	0	41	-1.0	-52.21	316.08	4.92	-47.29
O=C([O-])C1CCCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007596503	0	42	-1.0	-54.52	325.06	3.70	-50.82
COCC1=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=NO1	REAL300007596504	0	38	-1.0	-62.73	317.21	3.57	-59.16
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007596505	0	37	-1.0	-49.97	313.25	7.40	-42.57
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1	REAL300007596506	0	43	-1.0	-61.12	334.02	6.84	-54.28
CC(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596507	0	38	-1.0	-52.09	303.94	4.54	-47.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007596508	0	39	-1.0	-52.54	303.28	5.71	-46.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007596509	0	39	-1.0	-59.00	316.83	6.36	-52.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007596510	0	34	-1.0	-59.72	289.83	5.38	-54.34
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007596511	0	37	-1.0	-58.37	296.06	6.21	-52.16
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C(C)C	REAL300007596512	0	41	-1.0	-61.34	326.51	5.43	-55.91
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007596513	0	46	-1.0	-54.03	369.26	9.31	-44.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007596514	0	37	-1.0	-64.92	294.94	6.73	-58.19
O=C([O-])C1CCCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007596515	0	35	-1.0	-45.57	289.28	5.07	-40.50
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596516	0	40	-1.0	-52.64	311.80	1.08	-51.56
O=C([O-])C1CCCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007596517	0	39	-1.0	-52.11	291.28	3.70	-48.41
N#CC1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300007596518	0	38	-1.0	-52.44	298.56	5.08	-47.36
COC1=CC=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596519	0	35	-1.0	-58.94	287.24	3.86	-55.08
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)F)=C1	REAL300007596520	0	39	-1.0	-59.71	309.33	5.93	-53.78
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1	REAL300007596521	0	35	-1.0	-59.30	287.04	3.83	-55.47
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596522	0	38	-1.0	-51.20	321.05	3.78	-47.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007596523	0	37	-1.0	-55.33	295.74	5.75	-49.58
CCOC1=CC=CN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007596524	0	38	-1.0	-65.86	307.77	5.50	-60.36
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C12	REAL300007596525	0	40	-1.0	-62.40	313.68	7.12	-55.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007596526	0	36	-1.0	-55.17	296.45	5.70	-49.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007596527	0	34	-1.0	-58.13	290.01	5.42	-52.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007596528	0	39	-1.0	-50.43	335.09	6.70	-43.73
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007596529	0	45	-1.0	-58.08	340.63	7.45	-50.63
CC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596530	0	37	-1.0	-71.82	303.85	4.66	-67.16
CCC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596531	0	44	-1.0	-58.04	342.03	6.86	-51.18
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)S2)CCCC1	REAL300007596532	0	29	-1.0	-55.09	270.71	3.92	-51.17
COC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596533	0	39	-1.0	-45.12	309.94	4.68	-40.44
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596534	0	35	-1.0	-59.68	296.87	5.51	-54.17
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CCCC1	REAL300007596535	0	36	-1.0	-40.40	304.45	4.39	-36.01
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596536	0	38	-1.0	-63.00	324.05	1.66	-61.34
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CCCC1	REAL300007596537	0	36	-1.0	-57.57	309.35	4.07	-53.50
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OC	REAL300007596538	0	43	-1.0	-60.88	334.49	4.10	-56.78
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596539	0	35	-1.0	-42.32	294.78	5.13	-37.19
CN(C1CCCCC1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596540	0	43	-1.0	-60.18	311.49	4.45	-55.73
CC1=NN(C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596541	0	38	-1.0	-59.60	299.27	3.15	-56.45
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCCC1	REAL300007596542	0	48	-1.0	-57.89	365.21	8.08	-49.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCOC3=C2)CCCC1	REAL300007596543	0	38	-1.0	-61.80	307.83	3.29	-58.51
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2Br)CCCC1	REAL300007596544	0	32	-1.0	-57.53	280.66	5.07	-52.46
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Br)=C2)CCCC1	REAL300007596545	0	32	-1.0	-58.53	284.65	4.89	-53.64
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596546	0	37	-1.0	-60.12	295.03	6.66	-53.46
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CCCC1	REAL300007596547	0	38	-1.0	-58.63	322.59	6.08	-52.55
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596548	0	42	-1.0	-70.70	343.65	0.62	-70.08
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596549	0	43	-1.0	-55.92	345.95	6.11	-49.81
CC1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596550	0	35	-1.0	-59.38	291.16	4.87	-54.51
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)CCCC1	REAL300007596551	0	38	-1.0	-56.80	306.45	4.76	-52.04
COCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596552	0	39	-1.0	-59.11	318.42	4.00	-55.11
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300007596553	0	38	-1.0	-53.50	312.39	1.89	-51.61
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596554	0	41	-1.0	-71.63	348.37	2.33	-69.30
CS(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596555	0	37	-1.0	-75.31	309.58	0.10	-75.21
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1C	REAL300007596556	0	42	-1.0	-58.70	320.86	4.83	-53.87
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CCCC1	REAL300007596557	0	37	-1.0	-60.76	322.08	4.75	-56.01
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C=C2)CCCC1	REAL300007596558	0	35	-1.0	-59.96	306.24	5.31	-54.65
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)CCCC1	REAL300007596559	0	37	-1.0	-60.30	303.19	4.70	-55.60
CS(=O)(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300007596560	0	42	-1.0	-63.32	326.64	-0.38	-63.70
CN(C1CCOCC1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596561	0	41	-1.0	-58.58	304.26	2.22	-56.36
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=NN1C1=CC=CC=N1	REAL300007596562	0	41	-1.0	-60.99	336.67	5.66	-55.33
CCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300007596563	0	41	-1.0	-53.42	320.90	3.99	-49.43
CC(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300007596564	0	38	-1.0	-53.70	308.75	3.20	-50.50
CC(C)CN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596565	0	41	-1.0	-52.68	325.47	6.07	-46.61
CC(C)N1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596566	0	38	-1.0	-52.58	306.37	5.20	-47.38
CC(C)C1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1	REAL300007596567	0	38	-1.0	-53.90	304.74	3.21	-50.69
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596568	0	44	-1.0	-61.60	313.64	6.57	-55.03
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CCCC1	REAL300007596569	0	45	-1.0	-49.52	364.94	6.60	-42.92
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596570	0	40	-1.0	-75.22	328.46	3.71	-71.51
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OC	REAL300007596571	0	40	-1.0	-56.01	333.95	4.00	-52.01
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300007596572	0	35	-1.0	-59.00	302.84	5.33	-53.67
CC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596573	0	35	-1.0	-40.38	279.76	4.46	-35.92
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCCC1	REAL300007596574	0	38	-1.0	-43.11	316.15	6.43	-36.68
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CCCC1	REAL300007596575	0	37	-1.0	-35.25	311.50	5.83	-29.42
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCCC1	REAL300007596576	0	36	-1.0	-57.72	308.82	3.92	-53.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCCC1	REAL300007596577	0	39	-1.0	-56.18	327.96	5.35	-50.83
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596578	0	47	-1.0	-59.12	353.26	5.04	-54.08
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CCCC1	REAL300007596579	0	35	-1.0	-55.51	297.51	5.07	-50.44
COCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596580	0	43	-1.0	-63.98	346.17	3.68	-60.30
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)CCCC1	REAL300007597001	0	38	-1.0	-52.66	328.95	5.37	-47.29
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2CCC2)=N1	REAL300007597002	0	42	-1.0	-44.31	331.04	4.06	-40.25
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597003	0	50	-1.0	-62.10	372.13	8.06	-54.04
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)CCCC1	REAL300007597004	0	38	-1.0	-59.60	334.56	6.15	-53.45
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)CCCC1	REAL300007597005	0	42	-1.0	-55.04	337.67	4.85	-50.19
O=C([O-])C1(NS(=O)(=O)C2=C(C3CC3)C=CS2)CCCC1	REAL300007597006	0	36	-1.0	-45.86	300.23	5.09	-40.77
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)CCCC1	REAL300007597007	0	43	-1.0	-61.17	361.27	6.96	-54.21
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=NC=CC=C2C=C1	REAL300007597008	0	41	-1.0	-76.08	327.73	5.25	-70.83
CCCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597009	0	41	-1.0	-59.99	327.75	6.48	-53.51
CN1N=C2CCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597010	0	39	-1.0	-55.09	307.64	3.58	-51.51
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597011	0	41	-1.0	-51.98	303.01	3.62	-48.36
CC(C)(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300007597012	0	41	-1.0	-59.83	328.23	3.81	-56.02
O=C([O-])C1(NS(=O)(=O)C2=CNN=C2C2CCC2)CCCC1	REAL300007597013	0	39	-1.0	-42.97	308.42	2.60	-40.37
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN=C1C(F)(F)F	REAL300007597014	0	37	-1.0	-54.42	314.28	3.86	-50.56
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CCCC1	REAL300007597015	0	35	-1.0	-52.07	308.48	5.20	-46.87
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597016	0	43	-1.0	-72.09	347.94	6.31	-65.78
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)CCCC1	REAL300007597017	0	43	-1.0	-60.88	326.11	7.02	-53.86
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CCCC1	REAL300007597018	0	38	-1.0	-55.24	323.13	5.28	-49.96
O=C([O-])C1(NS(=O)(=O)N2CC3=CC=CC=C3C2)CCCC1	REAL300007597019	0	38	-1.0	-43.69	300.24	4.82	-38.87
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=C2COCC3)CCCC1	REAL300007597020	0	39	-1.0	-66.96	316.30	2.63	-64.33
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007597021	0	42	-1.0	-54.64	359.54	4.91	-49.73
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2C(F)(F)F)CCCC1	REAL300007597022	0	32	-1.0	-37.58	278.82	3.98	-33.60
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)CCCC1	REAL300007597023	0	39	-1.0	-58.03	312.57	6.38	-51.65
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=CS1	REAL300007597024	0	33	-1.0	-60.78	286.87	2.71	-58.07
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCCC2)CCCC1	REAL300007597025	0	42	-1.0	-42.17	313.92	4.17	-38.00
CCC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597026	0	41	-1.0	-53.41	323.13	4.07	-49.34
CN(C1CCCCCC1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597027	0	46	-1.0	-56.28	324.20	5.45	-50.83
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2CCOCC2)=N1	REAL300007597028	0	46	-1.0	-57.63	359.60	3.25	-54.38
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597029	0	38	-1.0	-60.97	316.58	5.79	-55.18
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)CCCC1	REAL300007597030	0	36	-1.0	-59.85	302.61	3.85	-56.00
O=C([O-])C1(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CCCC1	REAL300007597031	0	47	-1.0	-58.26	343.29	6.48	-51.78
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300007597032	0	33	-1.0	-57.01	286.24	2.71	-54.30
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=NC=CC=C12	REAL300007597033	0	43	-1.0	-62.11	326.54	6.13	-55.98
O=C([O-])C1(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)CCCC1	REAL300007597034	0	40	-1.0	-57.14	308.07	4.02	-53.12
O=C([O-])C1(NS(=O)(=O)C2=CN(CCF)N=C2)CCCC1	REAL300007597035	0	35	-1.0	-58.79	296.39	2.79	-56.00
CCOCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597036	0	42	-1.0	-61.14	340.27	4.96	-56.18
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597037	0	42	-1.0	-50.90	337.92	5.76	-45.14
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)CCCC1	REAL300007597038	0	45	-1.0	-58.00	350.07	5.12	-52.88
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CCCC1	REAL300007597039	0	43	-1.0	-55.97	351.94	7.20	-48.77
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CF)CCCC1	REAL300007597040	0	35	-1.0	-58.84	280.14	5.26	-53.58
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC(C)=C1Br	REAL300007597041	0	38	-1.0	-54.71	321.04	5.91	-48.80
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300007597042	0	41	-1.0	-47.10	319.51	6.54	-40.56
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2=CC=CC=C2)=N1	REAL300007597043	0	42	-1.0	-69.18	338.37	5.31	-63.87
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(F)C=C2)CCCC1	REAL300007597044	0	36	-1.0	-56.87	300.30	5.41	-51.46
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)CCCC1	REAL300007597045	0	36	-1.0	-56.47	315.19	5.95	-50.52
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)CCCC1	REAL300007597046	0	36	-1.0	-56.23	315.18	5.96	-50.27
O=C([O-])C1(NS(=O)(=O)CCC2NC(=O)NC2=O)CCCC1	REAL300007597047	0	37	-1.0	-64.38	307.08	-1.84	-66.22
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CC=CN23)CCCC1	REAL300007597048	0	35	-1.0	-60.55	289.35	4.55	-56.00
O=C([O-])C1(NS(=O)(=O)C2CCC(F)(F)CC2)CCCC1	REAL300007597049	0	38	-1.0	-38.21	294.31	4.25	-33.96
O=C([O-])C1(NS(=O)(=O)C2=CC=C3SC=NC3=C2)CCCC1	REAL300007597050	0	34	-1.0	-63.51	294.30	3.54	-59.97
O=C([O-])C1(NS(=O)(=O)CCOC2CCOC2)CCCC1	REAL300007597051	0	40	-1.0	-58.18	315.43	1.26	-56.92
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(C2=CC=CC=C2)O1	REAL300007597052	0	41	-1.0	-65.67	336.77	3.88	-61.79
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C(C2=CC=CC=C2)O1	REAL300007597052	1	40	-2.0	-143.64	339.36	3.55	-140.09
O=C([O-])C1(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CCCC1	REAL300007597053	0	49	-1.0	-43.10	341.56	6.67	-36.43
CC1(C)COC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300007597054	0	42	-1.0	-60.43	323.08	3.89	-56.54
O=C([O-])C1(NS(=O)(=O)CC2CS(=O)(=O)C2)CCCC1	REAL300007597055	0	35	-1.0	-68.78	290.79	-0.25	-69.03
CC(C)(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C(C)(F)F	REAL300007597056	0	40	-1.0	-57.48	300.40	4.34	-53.14
CS(=O)(=O)CCCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597057	0	40	-1.0	-69.16	331.08	0.89	-68.27
CC1(C)CCC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)OC1	REAL300007597058	0	45	-1.0	-42.64	338.35	3.77	-38.87
O=C([O-])C1(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CCCC1	REAL300007597059	0	42	-1.0	-41.49	334.11	6.05	-35.44
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=NSN=C32)CCCC1	REAL300007597060	0	36	-1.0	-67.25	308.55	3.10	-64.15
O=C([O-])C1(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CCCC1	REAL300007597061	0	42	-1.0	-42.60	346.55	6.65	-35.95
O=C([O-])C1(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CCCC1	REAL300007597062	0	41	-1.0	-42.47	315.55	1.48	-40.99
O=C([O-])C1(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CCCC1	REAL300007597063	0	45	-1.0	-41.91	330.83	5.74	-36.17
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)S2)CCCC1	REAL300007597064	0	36	-1.0	-59.05	306.82	5.56	-53.49
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300007597065	0	54	-1.0	-58.49	392.92	8.44	-50.05
COC1=CC=C(C=C(C)S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007597066	0	43	-1.0	-43.53	336.85	4.76	-38.77
COC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1OC	REAL300007597067	0	37	-1.0	-56.15	312.17	2.92	-53.23
O=C([O-])C1(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCCC1	REAL300007597068	0	44	-1.0	-40.90	314.83	4.72	-36.18
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597069	0	43	-1.0	-59.26	342.47	6.15	-53.11
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CCCC1	REAL300007597070	0	36	-1.0	-57.63	312.46	5.12	-52.51
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300007597071	0	36	-1.0	-58.96	302.87	3.80	-55.16
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(F)=C1	REAL300007597071	1	35	-2.0	-136.78	300.60	4.15	-132.63
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CCCC1	REAL300007597072	0	36	-1.0	-55.59	308.82	3.92	-51.67
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597073	0	38	-1.0	-56.26	307.88	4.00	-52.26
CN1C=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300007597074	0	39	-1.0	-63.37	317.09	6.03	-57.34
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CCCC1	REAL300007597075	0	41	-1.0	-56.52	342.21	4.75	-51.77
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597076	0	45	-1.0	-59.27	353.85	6.48	-52.79
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CCCC1	REAL300007597077	0	43	-1.0	-56.26	351.70	7.17	-49.09
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597078	0	38	-1.0	-66.11	298.73	6.21	-59.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CCCC1	REAL300007597079	0	33	-1.0	-56.10	305.58	3.08	-53.02
C=C(C)COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597080	0	43	-1.0	-63.62	346.99	5.90	-57.72
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2CC2)=N1	REAL300007597081	0	42	-1.0	-56.36	339.86	4.82	-51.54
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=NSN=C2C=C1	REAL300007597082	0	36	-1.0	-66.48	300.79	3.43	-63.05
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CCCC1	REAL300007597083	0	38	-1.0	-56.66	324.85	7.09	-49.57
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)CCCC1	REAL300007597084	0	42	-1.0	-56.71	354.27	8.20	-48.51
O=C([O-])C1(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)CCCC1	REAL300007597085	0	31	-1.0	-63.41	292.14	2.36	-61.05
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Br	REAL300007597086	0	38	-1.0	-54.60	322.39	6.15	-48.45
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597087	0	45	-1.0	-53.99	350.49	5.44	-48.55
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CS2)CCCC1	REAL300007597088	0	29	-1.0	-53.67	271.27	3.78	-49.89
COCCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597089	0	46	-1.0	-63.87	367.67	4.46	-59.41
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CCCC1	REAL300007597090	0	38	-1.0	-44.26	319.64	6.52	-37.74
CN1N=C2CCOCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597091	0	40	-1.0	-54.57	312.77	1.90	-52.67
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2CC2)CCCC1	REAL300007597092	0	39	-1.0	-61.60	304.15	6.28	-55.32
CC1(C)CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300007597093	0	43	-1.0	-58.08	304.76	3.99	-54.09
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CCCC1	REAL300007597094	0	47	-1.0	-56.72	365.02	4.69	-52.03
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597095	0	35	-1.0	-41.87	303.49	1.74	-40.13
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300007597096	0	38	-1.0	-55.48	310.65	1.58	-53.90
CC(C)CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300007597097	0	41	-1.0	-53.13	326.95	4.27	-48.86
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597098	0	41	-1.0	-56.99	327.86	3.97	-53.02
O=C([O-])C1(NS(=O)(=O)N2CCN(CC(F)F)CC2)CCCC1	REAL300007597099	0	42	-1.0	-57.81	326.95	2.76	-55.05
COCC1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=NO1	REAL300007597100	0	38	-1.0	-67.32	315.53	1.84	-65.48
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)CCCC1	REAL300007597101	0	37	-1.0	-39.22	311.45	5.82	-33.40
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)N=C1	REAL300007597102	0	43	-1.0	-49.93	333.23	5.32	-44.61
CC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597103	0	38	-1.0	-41.95	292.77	2.81	-39.14
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CC2)CCCC1	REAL300007597104	0	39	-1.0	-53.75	310.15	4.40	-49.35
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CCCC1	REAL300007597105	0	39	-1.0	-51.94	312.25	5.43	-46.51
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)F)C=N2)CCCC1	REAL300007597106	0	34	-1.0	-44.92	290.91	3.95	-40.97
O=C([O-])C1(NS(=O)(=O)N2CCC3=CC=CN=C32)CCCC1	REAL300007597107	0	37	-1.0	-46.04	292.77	4.15	-41.89
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=NN1C(C)C	REAL300007597108	0	41	-1.0	-62.62	327.61	4.05	-58.57
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007597109	0	46	-1.0	-56.04	372.03	7.92	-48.12
O=C([O-])C1(NS(=O)(=O)C2=NC=CC3=CC=CC=C32)CCCC1	REAL300007597110	0	37	-1.0	-53.86	297.75	5.39	-48.47
O=C([O-])C1(NS(=O)(=O)N2CC=C(Br)CC2)CCCC1	REAL300007597111	0	35	-1.0	-56.15	295.25	4.15	-52.00
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597112	0	40	-1.0	-67.39	316.82	-0.03	-67.42
O=C([O-])C1(NS(=O)(=O)N2CC3CCC(C2)O3)CCCC1	REAL300007597113	0	39	-1.0	-57.40	294.69	2.41	-54.99
N#CC1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300007597114	0	38	-1.0	-60.34	289.89	3.42	-56.92
COC1=CC=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597115	0	35	-1.0	-47.31	286.42	2.35	-44.96
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C(F)F)=C1	REAL300007597116	0	39	-1.0	-47.18	316.44	4.36	-42.82
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)N=C1	REAL300007597117	0	35	-1.0	-47.71	286.25	2.31	-45.40
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597118	0	38	-1.0	-41.27	325.63	2.19	-39.08
O=C([O-])C1(NS(=O)(=O)C2=CC=NC3=CC=CC=C32)CCCC1	REAL300007597119	0	37	-1.0	-56.79	300.68	4.77	-52.02
CCOC1=CC=CN=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007597120	0	38	-1.0	-52.68	305.93	4.11	-48.57
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=NC=CC=C12	REAL300007597121	0	40	-1.0	-65.42	320.53	5.30	-60.12
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC=C23)CCCC1	REAL300007597122	0	36	-1.0	-58.06	296.25	4.14	-53.92
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)F)=CC=N2)CCCC1	REAL300007597123	0	34	-1.0	-47.38	289.15	3.92	-43.46
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)CCCC1	REAL300007597124	0	39	-1.0	-41.50	333.32	4.63	-36.87
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007597125	0	45	-1.0	-62.95	351.89	6.21	-56.74
CC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597126	0	28	-1.0	-46.81	271.44	3.71	-43.10
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007597127	0	29	-1.0	-48.64	272.48	2.51	-46.13
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597128	0	31	-1.0	-54.50	296.11	-0.29	-54.79
O=C([O-])CCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007597129	0	29	-1.0	-43.89	281.42	1.98	-41.91
COC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1OC	REAL300007597130	0	36	-1.0	-49.45	308.88	2.30	-47.15
O=C([O-])CCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007597131	0	41	-1.0	-46.04	337.27	6.00	-40.04
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1Br	REAL300007597132	0	25	-1.0	-46.61	251.87	2.93	-43.68
O=C([O-])CCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007597133	0	25	-1.0	-44.46	256.73	2.80	-41.66
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC(=O)[O-]	REAL300007597134	0	35	-1.0	-54.79	318.47	-1.26	-56.05
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597135	0	34	-1.0	-58.29	320.45	0.39	-57.90
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007597136	0	30	-1.0	-46.54	286.54	2.68	-43.86
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007597137	0	28	-1.0	-46.65	280.47	3.53	-43.12
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597138	0	42	-1.0	-53.57	373.43	1.37	-52.20
CS(=O)(=O)N1CCN(S(=O)(=O)NCCC(=O)[O-])CC1	REAL300007597139	0	35	-1.0	-54.64	306.13	-2.25	-56.89
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CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007599023	0	36	-1.0	-50.03	315.46	5.26	-44.77
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CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CCC(=O)[O-])CC2CC2)=C1	REAL300007602015	0	48	-1.0	-53.41	392.15	8.61	-44.80
CC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602016	0	39	-1.0	-56.05	331.52	6.04	-50.01
CCC(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602017	0	46	-1.0	-44.99	366.44	8.70	-36.29
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300007602018	0	31	-1.0	-39.21	296.90	5.73	-33.48
COC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602019	0	41	-1.0	-59.10	335.26	6.23	-52.87
CC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602020	0	37	-1.0	-52.64	315.63	6.60	-46.04
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007602021	0	38	-1.0	-44.58	325.91	6.66	-37.92
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007602022	0	40	-1.0	-53.51	351.23	3.17	-50.34
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007602023	0	38	-1.0	-44.25	333.76	5.89	-38.36
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1OC	REAL300007602024	0	45	-1.0	-54.30	354.05	5.17	-49.13
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602025	0	37	-1.0	-51.16	306.93	6.57	-44.59
CC(C)CN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	REAL300007602026	0	45	-1.0	-42.81	340.26	6.14	-36.67
CC1=NN(C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602027	0	40	-1.0	-49.52	320.26	4.99	-44.53
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007602028	0	50	-1.0	-44.64	389.63	9.91	-34.73
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007602029	0	40	-1.0	-49.01	334.73	4.81	-44.20
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007602030	0	34	-1.0	-45.91	295.12	5.96	-39.95
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007602031	0	34	-1.0	-44.29	309.09	6.71	-37.58
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602032	0	39	-1.0	-58.36	308.78	7.11	-51.25
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007602033	0	40	-1.0	-55.72	350.56	7.62	-48.10
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007602034	0	44	-1.0	-46.61	371.15	2.21	-44.40
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300007602035	0	45	-1.0	-47.99	372.87	7.50	-40.49
CC1=CC(F)=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602036	0	37	-1.0	-53.38	316.49	6.31	-47.07
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007602037	0	40	-1.0	-47.59	328.11	6.46	-41.13
COCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602038	0	41	-1.0	-45.08	343.01	5.84	-39.24
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=N1	REAL300007602039	0	40	-1.0	-50.24	337.74	3.15	-47.09
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007602040	0	43	-1.0	-56.28	372.97	4.31	-51.97
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007602041	0	39	-1.0	-49.79	334.84	2.13	-47.66
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1C	REAL300007602042	0	44	-1.0	-45.12	345.38	6.16	-38.96
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007602043	0	39	-1.0	-57.21	344.89	6.26	-50.95
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007602044	0	37	-1.0	-41.22	332.93	7.00	-34.22
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007602045	0	39	-1.0	-54.31	329.61	5.97	-48.34
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007602046	0	44	-1.0	-59.77	356.29	0.94	-58.83
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CCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1C	REAL300007602049	0	43	-1.0	-52.83	345.27	5.41	-47.42
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300007602050	0	40	-1.0	-52.52	331.70	4.61	-47.91
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300007602051	0	43	-1.0	-47.41	352.56	7.33	-40.08
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300007602052	0	40	-1.0	-53.60	335.95	6.02	-47.58
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300007602053	0	40	-1.0	-51.07	329.45	4.83	-46.24
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007602054	0	46	-1.0	-56.71	337.62	8.16	-48.55
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007602055	0	42	-1.0	-66.91	354.82	4.97	-61.94
COC1=CC(Cl)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1OC	REAL300007602056	0	42	-1.0	-44.59	358.37	5.38	-39.21
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1Br	REAL300007602057	0	37	-1.0	-41.78	327.28	7.30	-34.48
CC1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602058	0	37	-1.0	-54.39	306.97	6.29	-48.10
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007602059	0	40	-1.0	-43.18	332.25	7.73	-35.45
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007602060	0	39	-1.0	-51.50	338.65	7.40	-44.10
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007602061	0	38	-1.0	-44.01	333.23	5.74	-38.27
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007602062	0	41	-1.0	-47.11	349.89	7.25	-39.86
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602063	0	49	-1.0	-45.28	382.66	7.02	-38.26
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007602064	0	37	-1.0	-44.83	322.72	6.51	-38.32
COCC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602065	0	45	-1.0	-59.26	368.92	5.28	-53.98
CC1=CN=C(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C(C)=C1	REAL300007605001	0	41	-1.0	-50.05	335.44	5.74	-44.31
CC1=CN=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300007605002	0	38	-1.0	-43.52	312.29	4.93	-38.59
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300007605003	0	44	-1.0	-66.23	354.30	2.50	-63.73
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COC1=CC=NC(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300007605006	0	39	-1.0	-49.65	326.88	3.29	-46.36
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CC1=CC=CN=C1S(=O)(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300007605010	0	38	-1.0	-64.98	314.39	5.75	-59.23
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CCOC1=CC=CN=C1S(=O)(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300007605012	0	42	-1.0	-62.20	339.42	5.39	-56.81
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C2=NC=CC=C12	REAL300007605013	0	44	-1.0	-52.64	359.63	6.92	-45.72
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CC=N1	REAL300007605014	0	38	-1.0	-43.50	317.07	4.69	-38.81
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CCC(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605020	0	43	-1.0	-44.44	341.72	7.25	-37.19
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CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007605023	0	35	-1.0	-56.92	304.08	5.01	-51.91
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007605024	0	37	-1.0	-53.02	323.73	2.18	-50.84
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007605025	0	35	-1.0	-52.52	311.06	4.45	-48.07
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OC	REAL300007605026	0	42	-1.0	-42.91	326.04	4.21	-38.70
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605027	0	34	-1.0	-51.08	289.84	5.62	-45.46
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007605028	0	47	-1.0	-53.24	366.93	8.46	-44.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007605029	0	37	-1.0	-45.69	307.53	3.82	-41.87
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007605030	0	31	-1.0	-54.61	271.46	4.93	-49.68
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007605031	0	31	-1.0	-53.59	286.37	5.28	-48.31
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605032	0	36	-1.0	-55.78	289.12	6.89	-48.89
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007605033	0	37	-1.0	-55.88	327.11	6.66	-49.22
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007605034	0	41	-1.0	-66.66	347.52	1.24	-65.42
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605035	0	42	-1.0	-47.73	345.49	6.49	-41.24
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007605036	0	37	-1.0	-54.10	309.76	5.14	-48.96
COCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605037	0	38	-1.0	-44.55	318.12	4.39	-40.16
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300007605038	0	37	-1.0	-50.52	314.11	2.28	-48.24
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007605039	0	40	-1.0	-55.63	348.06	2.88	-52.75
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007605040	0	36	-1.0	-49.84	310.55	0.66	-49.18
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1C	REAL300007605041	0	41	-1.0	-43.57	313.21	4.95	-38.62
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007605042	0	36	-1.0	-45.76	314.79	5.17	-40.59
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007605043	0	34	-1.0	-56.81	310.17	5.99	-50.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007605044	0	36	-1.0	-49.37	304.03	5.04	-44.33
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605045	0	48	-1.0	-57.03	403.10	3.83	-53.20
CC(C)N(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007605046	0	41	-1.0	-59.50	334.35	0.20	-59.30
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300007605047	0	40	-1.0	-56.20	330.72	5.83	-50.37
CCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300007605048	0	40	-1.0	-43.80	319.14	4.49	-39.31
CC(C)CN1C=NC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605049	0	40	-1.0	-57.99	329.62	5.92	-52.07
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007605050	0	43	-1.0	-56.87	319.25	7.47	-49.40
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007605051	0	44	-1.0	-50.35	357.53	7.10	-43.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007605052	0	39	-1.0	-47.33	329.51	4.07	-43.26
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007605053	0	37	-1.0	-52.21	330.99	5.76	-46.45
COC1=CC(Cl)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OC	REAL300007605054	0	39	-1.0	-44.55	323.34	3.93	-40.62
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(OC)C=C1Br	REAL300007605055	0	39	-1.0	-45.01	334.41	4.51	-40.50
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300007605056	0	34	-1.0	-41.34	302.55	5.86	-35.48
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007605057	0	37	-1.0	-56.33	318.84	7.51	-48.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007605058	0	36	-1.0	-53.22	318.82	6.69	-46.53
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007605059	0	35	-1.0	-53.40	310.54	4.30	-49.10
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007605060	0	38	-1.0	-54.77	322.72	6.36	-48.41
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605061	0	46	-1.0	-48.56	352.78	5.58	-42.98
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007605062	0	34	-1.0	-44.47	295.22	5.53	-38.94
COCC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605063	0	42	-1.0	-60.21	341.08	4.25	-55.96
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300007606001	0	32	-1.0	-56.89	306.91	4.22	-52.67
CCC1=NNC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606002	0	35	-1.0	-46.83	325.32	3.15	-43.68
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1OC	REAL300007606003	0	37	-1.0	-57.96	355.45	3.33	-54.63
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1=CC(F)=CC=C1F	REAL300007606004	0	44	-1.0	-54.53	361.47	5.78	-48.75
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606005	0	43	-1.0	-51.75	384.58	7.37	-44.38
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(F)=C1	REAL300007606006	0	36	-1.0	-47.56	340.60	5.02	-42.54
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(F)=C1	REAL300007606006	1	35	-2.0	-142.26	332.89	5.40	-136.86
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606007	0	38	-1.0	-49.68	345.55	5.30	-44.38
CN1C=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C21	REAL300007606008	0	39	-1.0	-54.23	357.03	7.21	-47.02
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606009	0	38	-1.0	-49.15	333.76	7.22	-41.93
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007606010	0	43	-1.0	-47.80	386.64	7.07	-40.73
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C2CC2)=N1	REAL300007606011	0	42	-1.0	-50.50	381.07	6.16	-44.34
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C2=NSN=C2C=C1	REAL300007606012	0	36	-1.0	-51.28	338.54	4.76	-46.52
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007606013	0	45	-1.0	-53.37	387.19	6.21	-47.16
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O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CS1)C1=CC(F)=CC=C1F	REAL300007606015	0	29	-1.0	-42.64	312.13	4.93	-37.71
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606016	0	40	-1.0	-49.83	351.83	3.08	-46.75
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1CC1)C1=CC(F)=CC=C1F	REAL300007606017	0	39	-1.0	-46.82	343.84	7.57	-39.25
CC1(C)CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300007606018	0	43	-1.0	-53.59	353.43	5.42	-48.17
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606019	0	35	-1.0	-44.03	330.04	3.02	-41.01
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C	REAL300007606020	0	38	-1.0	-45.48	350.29	2.87	-42.61
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007606021	0	41	-1.0	-49.99	370.74	5.54	-44.45
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606022	0	41	-1.0	-48.10	364.35	4.94	-43.16
O=C([O-])C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C1=CC(F)=CC=C1F	REAL300007606023	0	42	-1.0	-42.04	355.40	2.91	-39.13
COCC1=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=NO1	REAL300007606024	0	38	-1.0	-57.12	355.29	3.25	-53.87
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)N=C1	REAL300007606025	0	43	-1.0	-48.74	375.37	5.84	-42.90
CC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606026	0	38	-1.0	-47.02	345.04	4.70	-42.32
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CC1CC1)C1=CC(F)=CC=C1F	REAL300007606027	0	39	-1.0	-45.38	343.66	5.31	-40.07
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C1=CC(F)=CC=C1F	REAL300007606028	0	39	-1.0	-50.28	352.31	6.65	-43.63
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C1=CC(F)=CC=C1F	REAL300007606029	0	34	-1.0	-46.38	331.51	4.35	-42.03
O=C([O-])C(NS(=O)(=O)N1CCC2=CC=CN=C21)C1=CC(F)=CC=C1F	REAL300007606030	0	37	-1.0	-65.28	336.77	5.77	-59.51
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=NN1C(C)C	REAL300007606031	0	41	-1.0	-47.30	363.30	4.99	-42.31
O=C([O-])C(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C1=CC(F)=CC=C1F	REAL300007606032	0	37	-1.0	-63.65	336.08	6.10	-57.55
CC1=CN=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300007606033	0	37	-1.0	-59.95	333.01	5.11	-54.84
CC1=CN=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606034	0	34	-1.0	-43.21	308.52	4.37	-38.84
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606035	0	40	-1.0	-59.73	358.59	1.17	-58.56
O=C([O-])C(NS(=O)(=O)N1CC2CCC(C1)O2)C1=CC(F)=CC=C1F	REAL300007606036	0	39	-1.0	-53.11	331.89	3.44	-49.67
N#CC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300007606037	0	38	-1.0	-56.49	339.28	4.81	-51.68
COC1=CC=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007606038	0	35	-1.0	-59.08	328.06	2.77	-56.31
C=CCN(CC=C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606039	0	38	-1.0	-52.48	340.11	5.19	-47.29
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)N=C1	REAL300007606040	0	35	-1.0	-57.93	324.89	3.01	-54.92
CC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606041	0	34	-1.0	-56.62	307.82	4.18	-52.44
O=C([O-])C(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C1=CC(F)=CC=C1F	REAL300007606042	0	37	-1.0	-47.79	335.22	5.72	-42.07
CCOC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007606043	0	38	-1.0	-66.81	348.57	4.71	-62.10
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C2=NC=CC=C12	REAL300007606044	0	40	-1.0	-53.94	344.18	6.96	-46.98
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=N1	REAL300007606045	0	34	-1.0	-44.74	317.94	4.23	-40.51
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC=CC=C12)C1=CC(F)=CC=C1F	REAL300007606046	0	36	-1.0	-51.90	321.67	4.82	-47.08
O=C([O-])C(NS(=O)(=O)N1CCC(F)(F)C1)C1=CC(F)=CC=C1F	REAL300007606047	0	34	-1.0	-47.34	316.89	3.84	-43.50
O=C([O-])C(NS(=O)(=O)C1=CN=CS1)C1=CC(F)=CC=C1F	REAL300007606048	0	28	-1.0	-44.64	289.91	2.54	-42.10
O=C([O-])C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C1=CC(F)=CC=C1F	REAL300007606049	0	34	-1.0	-63.30	331.25	4.38	-58.92
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007606050	0	45	-1.0	-49.98	392.00	7.50	-42.48
CCC(C)C1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606051	0	43	-1.0	-45.20	328.09	5.54	-39.66
CCC(C)(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007606052	0	38	-1.0	-45.73	306.18	3.60	-42.13
CCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007606053	0	34	-1.0	-40.19	293.98	4.55	-35.64
CCC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007606054	0	35	-1.0	-41.12	302.79	3.55	-37.57
CCC(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007606055	0	37	-1.0	-52.18	310.10	0.47	-51.71
CCC(C)(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007606056	0	35	-1.0	-50.04	297.15	3.27	-46.77
CCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007606057	0	42	-1.0	-45.83	332.05	3.26	-42.57
CCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007606058	0	34	-1.0	-38.72	288.13	4.46	-34.26
CCC(C)(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007606059	0	47	-1.0	-44.94	351.95	6.77	-38.17
CCC(C)(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007606060	0	37	-1.0	-47.14	294.16	2.09	-45.05
CCC(C)(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007606061	0	31	-1.0	-40.55	275.14	3.98	-36.57
CCC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007606062	0	31	-1.0	-44.98	270.65	3.57	-41.41
CCC(C)(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007606063	0	36	-1.0	-59.20	282.86	5.40	-53.80
CCC(C)(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007606064	0	37	-1.0	-39.28	313.95	5.19	-34.09
CCC(C)(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007606065	0	41	-1.0	-42.64	335.24	-0.28	-42.92
CCC(C)(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007606066	0	42	-1.0	-46.78	331.85	4.79	-41.99
CCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007606067	0	37	-1.0	-44.85	297.56	3.48	-41.37
CCC(C)(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007606068	0	38	-1.0	-46.17	304.48	2.68	-43.49
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=N1	REAL300007606069	0	37	-1.0	-43.80	298.37	0.54	-43.26
CCC(C)(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007606070	0	40	-1.0	-57.76	334.49	1.16	-56.60
CCC(C)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007606071	0	36	-1.0	-45.61	300.91	-0.81	-46.42
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007606072	0	41	-1.0	-43.92	316.57	3.96	-39.96
CCC(C)(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007606073	0	36	-1.0	-43.13	314.05	3.81	-39.32
CCC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007606074	0	34	-1.0	-37.57	295.74	4.41	-33.16
CCC(C)(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007606075	0	36	-1.0	-47.57	290.32	3.30	-44.27
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606076	0	48	-1.0	-51.25	391.17	2.07	-49.18
CCC(C)(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007606077	0	40	-1.0	-51.39	332.96	4.73	-46.66
CCN1N=C(C)C(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C1C	REAL300007606078	0	40	-1.0	-51.61	311.65	3.14	-48.47
CCC(C)(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007606079	0	40	-1.0	-48.30	317.08	4.78	-43.52
CCC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007606080	0	43	-1.0	-57.56	305.63	6.12	-51.44
CCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007606081	0	44	-1.0	-49.81	361.27	6.12	-43.69
CCC(C)(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007606082	0	39	-1.0	-55.42	315.81	2.37	-53.05
CCC(C)(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007606083	0	37	-1.0	-42.15	318.82	4.10	-38.05
CCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007606084	0	39	-1.0	-42.92	329.08	2.97	-39.95
CCC(C)(NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300007606085	0	39	-1.0	-43.54	336.33	3.04	-40.50
CCC(C)(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007606086	0	34	-1.0	-44.43	288.86	4.16	-40.27
CCC(C)(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007606087	0	37	-1.0	-42.36	308.50	5.93	-36.43
CCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007606088	0	36	-1.0	-34.53	307.59	5.23	-29.30
CCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007606089	0	35	-1.0	-45.28	294.83	2.61	-42.67
CCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007606090	0	38	-1.0	-43.27	320.58	4.13	-39.14
CCC(C)(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007606091	0	46	-1.0	-55.96	350.35	4.66	-51.30
CCC(C)(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007606092	0	34	-1.0	-45.54	281.58	3.83	-41.71
CCC(C)(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007606093	0	42	-1.0	-49.47	339.84	2.65	-46.82
CC1=NN(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007607001	0	38	-1.0	-44.66	316.52	3.78	-40.88
CC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300007607002	0	41	-1.0	-48.51	325.33	6.76	-41.75
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007607003	0	46	-1.0	-56.37	375.66	7.43	-48.94
CC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607004	0	46	-1.0	-58.95	358.84	8.81	-50.14
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607005	0	41	-1.0	-45.65	355.36	6.47	-39.18
CC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300007607006	0	35	-1.0	-49.66	313.24	5.85	-43.81
CC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607007	0	42	-1.0	-48.81	340.20	7.51	-41.30
COC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=CS1	REAL300007607008	0	36	-1.0	-58.87	313.15	4.34	-54.53
CC(NS(=O)(=O)C1=CC=NN1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607009	0	45	-1.0	-45.08	358.26	5.90	-39.18
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007607010	0	44	-1.0	-44.79	349.87	5.00	-39.79
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300007607011	0	38	-1.0	-47.56	320.40	5.33	-42.23
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2CCOCC2)=N1	REAL300007607012	0	49	-1.0	-49.43	392.78	4.48	-44.95
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007607013	0	41	-1.0	-48.44	344.43	6.94	-41.50
CC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607014	0	39	-1.0	-45.72	327.81	5.09	-40.63
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300007607015	0	36	-1.0	-47.15	315.34	3.96	-43.19
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C2=NC=CC=C12	REAL300007607016	0	46	-1.0	-70.68	360.91	8.54	-62.14
CC(NS(=O)(=O)C1=CN(CCF)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607017	0	38	-1.0	-47.95	324.79	4.07	-43.88
CCOCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007607018	0	45	-1.0	-44.23	365.51	6.19	-38.04
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007607019	0	45	-1.0	-48.59	370.20	6.79	-41.80
CC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607020	0	48	-1.0	-46.64	375.73	6.24	-40.40
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607021	0	46	-1.0	-46.53	379.42	8.20	-38.33
CC(NS(=O)(=O)C1=CC=CC=C1CF)(C(=O)[O-])C1=CC=CC=C1	REAL300007607022	0	38	-1.0	-58.18	311.24	6.84	-51.34
CC1=CN=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007607023	0	37	-1.0	-47.61	307.36	4.21	-43.40
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C12	REAL300007607024	0	44	-1.0	-52.70	352.41	8.31	-44.39
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300007607025	0	45	-1.0	-53.59	370.56	6.84	-46.75
CC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607026	0	39	-1.0	-46.51	333.15	6.84	-39.67
CCOCCCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007607027	0	41	-1.0	-49.22	333.85	4.04	-45.18
CC(NS(=O)(=O)CCC1NC(=O)NC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300007607028	0	40	-1.0	-41.41	334.01	-0.46	-41.87
CC(NS(=O)(=O)C1=CN=C2C=CC=CN21)(C(=O)[O-])C1=CC=CC=C1	REAL300007607029	0	38	-1.0	-52.20	318.53	5.60	-46.60
CC(NS(=O)(=O)C1CCC(F)(F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607030	0	41	-1.0	-46.58	328.04	6.06	-40.52
CC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607031	0	37	-1.0	-45.88	318.91	4.91	-40.97
CC(NS(=O)(=O)CCOC1CCOC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607032	0	43	-1.0	-48.91	348.05	2.71	-46.20
CC(NS(=O)(=O)CC1COCCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607033	0	40	-1.0	-43.52	318.99	2.92	-40.60
CC1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C(C2=CC=CC=C2)O1	REAL300007607034	0	44	-1.0	-64.86	363.07	5.88	-58.98
CC1=NC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC=C2)=C(C2=CC=CC=C2)O1	REAL300007607034	1	43	-2.0	-141.94	377.17	4.53	-137.41
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COCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607646	0	39	-1.0	-44.83	322.47	4.64	-40.19
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300007607647	0	38	-1.0	-47.75	315.68	2.58	-45.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007607648	0	41	-1.0	-55.94	352.43	3.12	-52.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCS(C)(=O)=O	REAL300007607649	0	37	-1.0	-50.93	316.41	0.95	-49.98
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1C	REAL300007607650	0	42	-1.0	-42.60	313.29	4.93	-37.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007607651	0	37	-1.0	-44.19	322.10	5.51	-38.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007607652	0	35	-1.0	-41.09	312.30	6.30	-34.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007607653	0	37	-1.0	-51.19	307.52	5.37	-45.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007607654	0	42	-1.0	-45.34	340.41	0.59	-44.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N(C)C1CCOCC1	REAL300007607655	0	41	-1.0	-41.34	315.21	2.97	-38.37
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=NN1C1=CC=CC=N1	REAL300007607656	0	41	-1.0	-46.84	330.17	6.07	-40.77
CCN1N=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300007607657	0	41	-1.0	-51.82	325.05	4.85	-46.97
CC(C)N1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300007607658	0	38	-1.0	-44.30	306.79	4.36	-39.94
CC(C)CN1C=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607659	0	41	-1.0	-57.62	331.15	5.94	-51.68
CC(C)N1C=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607660	0	38	-1.0	-54.37	311.99	5.37	-49.00
CC(C)C1=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1	REAL300007607661	0	38	-1.0	-57.72	310.44	3.41	-54.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007607662	0	44	-1.0	-60.01	323.15	8.57	-51.44
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007607663	0	45	-1.0	-56.74	361.34	7.39	-49.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007607664	0	40	-1.0	-58.78	332.86	4.35	-54.43
COC1=CC(Cl)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1OC	REAL300007607665	0	40	-1.0	-43.83	327.42	4.37	-39.46
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Br	REAL300007607666	0	35	-1.0	-41.50	300.88	6.43	-35.07
CC1=C(F)C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607667	0	35	-1.0	-50.78	275.21	5.38	-45.40
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007607668	0	38	-1.0	-49.21	312.02	7.28	-41.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007607669	0	37	-1.0	-41.21	320.49	7.63	-33.58
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007607670	0	36	-1.0	-50.01	312.02	4.62	-45.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007607671	0	39	-1.0	-44.60	325.39	6.80	-37.80
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607672	0	47	-1.0	-51.52	357.16	5.97	-45.55
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007607673	0	35	-1.0	-46.08	301.57	5.84	-40.24
COCC1=CC=C(OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607674	0	43	-1.0	-44.80	344.38	4.31	-40.49
CC1=C(C)SC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608001	0	35	-1.0	-51.35	299.09	5.35	-46.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007608002	0	33	-1.0	-37.75	284.58	2.89	-34.86
CCC1=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300007608003	0	34	-1.0	-48.60	296.72	3.54	-45.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007608004	0	39	-1.0	-44.73	309.43	5.20	-39.53
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300007608005	0	35	-1.0	-58.65	297.49	6.53	-52.12
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007608006	0	38	-1.0	-42.35	299.96	6.12	-36.23
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007608007	0	35	-1.0	-55.11	287.57	3.54	-51.57
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC(C)=C1F	REAL300007608008	0	38	-1.0	-47.64	313.59	6.31	-41.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007608009	0	39	-1.0	-56.61	322.53	4.72	-51.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007608010	0	45	-1.0	-43.05	368.03	6.50	-36.55
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007608011	0	36	-1.0	-55.42	295.35	4.85	-50.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007608012	0	34	-1.0	-58.15	293.05	4.78	-53.37
CC1=NC(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CS1	REAL300007608013	0	34	-1.0	-44.95	297.59	3.34	-41.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007608014	0	35	-1.0	-41.22	307.74	6.19	-35.03
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Cl	REAL300007608015	0	35	-1.0	-48.12	302.11	6.06	-42.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007608016	0	38	-1.0	-56.00	314.66	5.97	-50.03
CC1=CSC(C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)=N1	REAL300007608017	0	41	-1.0	-44.99	353.65	6.38	-38.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007608018	0	40	-1.0	-56.57	308.49	6.12	-50.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007608019	0	39	-1.0	-58.07	331.65	2.85	-55.22
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007608020	0	41	-1.0	-50.01	322.77	5.10	-44.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007608021	0	35	-1.0	-42.62	311.07	6.17	-36.45
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007608022	0	57	-1.0	-44.20	447.75	9.84	-34.36
CCC(C)OC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608023	0	45	-1.0	-52.88	356.82	6.66	-46.22
COC(CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1)C1CCCC1	REAL300007608024	0	45	-1.0	-43.62	342.22	5.72	-37.90
COC(CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1)C1CCCCC1	REAL300007608025	0	48	-1.0	-43.86	357.42	6.32	-37.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007608026	0	46	-1.0	-50.21	384.03	8.33	-41.88
CCOC(CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1)C1CC1	REAL300007608027	0	42	-1.0	-44.35	332.22	5.40	-38.95
CCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007608028	0	51	-1.0	-50.40	398.10	8.01	-42.39
CCC1=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1CC1CC1	REAL300007608029	0	45	-1.0	-56.02	364.91	6.96	-49.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007608030	0	35	-1.0	-43.08	302.79	4.91	-38.17
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300007608031	0	40	-1.0	-46.96	318.92	6.91	-40.05
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007608032	0	39	-1.0	-54.30	308.65	5.37	-48.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007608033	0	45	-1.0	-49.32	359.46	6.97	-42.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007608034	0	35	-1.0	-47.38	306.21	4.42	-42.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007608035	0	43	-1.0	-52.41	367.43	9.06	-43.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007608036	0	42	-1.0	-50.64	323.70	8.07	-42.57
CCC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(C)C=C1OC	REAL300007608037	0	45	-1.0	-41.49	342.03	6.21	-35.28
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007608038	0	38	-1.0	-40.79	338.63	6.79	-34.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007608039	0	34	-1.0	-64.52	298.36	5.05	-59.47
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C2C=C1	REAL300007608040	0	41	-1.0	-55.14	316.23	7.95	-47.19
CC(C)OC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300007608041	0	41	-1.0	-43.42	334.33	3.82	-39.60
COC1=C(F)C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608042	0	36	-1.0	-55.22	303.83	6.15	-49.07
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007608043	0	48	-1.0	-50.83	376.61	7.21	-43.62
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007608044	0	44	-1.0	-41.76	339.60	7.49	-34.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007608045	0	51	-1.0	-43.15	393.04	9.46	-33.69
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007608046	0	42	-1.0	-44.01	324.07	5.05	-38.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007608047	0	44	-1.0	-53.73	335.25	5.16	-48.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007608048	0	42	-1.0	-46.83	329.70	5.64	-41.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007608049	0	35	-1.0	-47.43	292.30	3.64	-43.79
COC1=CC=C(F)C=C1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608050	0	39	-1.0	-46.17	325.77	5.07	-41.10
C=CCCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007608051	0	42	-1.0	-44.27	344.61	7.69	-36.58
CCC1=NN(C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608052	0	38	-1.0	-47.32	303.70	4.26	-43.06
CCCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007608053	0	54	-1.0	-49.32	419.50	8.80	-40.52
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007608054	0	36	-1.0	-57.27	321.45	7.78	-49.49
CCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)(C)C	REAL300007608055	0	54	-1.0	-49.56	410.55	8.69	-40.87
CCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1CC	REAL300007608056	0	48	-1.0	-49.80	381.18	7.47	-42.33
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608057	0	38	-1.0	-41.22	305.10	6.78	-34.44
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608058	0	38	-1.0	-40.87	328.14	6.84	-34.03
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007608059	0	36	-1.0	-45.15	313.55	6.51	-38.64
CCCC1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608060	0	41	-1.0	-60.74	322.03	8.32	-52.42
COC1=NC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608061	0	35	-1.0	-54.09	286.06	2.25	-51.84
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608062	0	48	-1.0	-52.24	378.77	7.68	-44.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007608063	0	37	-1.0	-57.41	293.49	4.91	-52.50
CC1=CSC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608064	0	35	-1.0	-47.94	287.28	5.55	-42.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007608065	0	39	-1.0	-47.05	312.05	4.97	-42.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007608066	0	39	-1.0	-47.59	312.30	4.93	-42.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007608067	0	42	-1.0	-46.74	329.10	5.31	-41.43
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007608068	0	43	-1.0	-54.35	339.50	3.01	-51.34
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007608069	0	38	-1.0	-49.90	333.53	5.86	-44.04
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2CCCCN12	REAL300007608070	0	39	-1.0	-59.27	313.77	5.97	-53.30
CCCCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007608071	0	57	-1.0	-50.29	441.10	9.57	-40.72
COC1=CC(C(C)C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300007608072	0	48	-1.0	-54.30	364.63	6.92	-47.38
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608073	0	42	-1.0	-41.01	330.70	6.67	-34.34
CCOCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007608074	0	55	-1.0	-52.33	431.98	7.44	-44.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300007608075	0	40	-1.0	-47.98	321.50	5.40	-42.58
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007608076	0	40	-1.0	-43.15	331.66	5.07	-38.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007608077	0	38	-1.0	-54.28	320.55	5.61	-48.67
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608078	0	37	-1.0	-60.13	307.30	4.56	-55.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007608079	0	41	-1.0	-57.84	313.89	5.91	-51.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007608080	0	36	-1.0	-47.01	327.19	5.84	-41.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007608081	0	33	-1.0	-45.39	281.53	3.74	-41.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007608082	0	35	-1.0	-52.10	305.45	6.40	-45.70
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007608083	0	39	-1.0	-47.33	314.26	4.55	-42.78
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1F	REAL300007608084	0	41	-1.0	-47.33	314.86	7.02	-40.31
COC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1OC	REAL300007608085	0	40	-1.0	-58.20	325.96	5.91	-52.29
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007608086	0	35	-1.0	-46.12	288.14	5.03	-41.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007608087	0	45	-1.0	-48.04	341.05	6.05	-41.99
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608088	0	44	-1.0	-51.43	344.64	5.63	-45.80
CCCCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=N1	REAL300007608089	0	44	-1.0	-51.15	345.44	5.49	-45.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007608090	0	39	-1.0	-53.14	305.10	4.27	-48.87
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007608091	0	36	-1.0	-58.67	308.40	5.48	-53.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007608092	0	37	-1.0	-64.62	306.90	3.50	-61.12
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Br	REAL300007608093	0	38	-1.0	-38.44	307.70	6.19	-32.25
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCCC(C)(C)C1	REAL300007608094	0	43	-1.0	-56.74	313.83	5.52	-51.22
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007608095	0	38	-1.0	-42.61	335.49	6.06	-36.55
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007608096	0	42	-1.0	-52.64	325.90	4.90	-47.74
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608097	0	50	-1.0	-41.10	368.83	8.53	-32.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007608098	0	38	-1.0	-50.56	337.78	6.85	-43.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007608099	0	42	-1.0	-50.26	340.63	5.61	-44.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007608100	0	36	-1.0	-48.72	305.84	6.89	-41.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007608101	0	43	-1.0	-42.23	357.90	7.55	-34.68
COC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300007608102	0	41	-1.0	-64.70	331.98	6.18	-58.52
CCCC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608103	0	41	-1.0	-51.68	331.02	7.17	-44.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007608104	0	39	-1.0	-55.34	311.22	5.25	-50.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007608105	0	41	-1.0	-43.93	302.07	4.71	-39.22
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007608106	0	41	-1.0	-47.18	326.68	5.00	-42.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007608107	0	39	-1.0	-51.40	304.83	3.65	-47.75
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN=C1C(F)(F)F	REAL300007608108	0	37	-1.0	-42.12	313.09	5.19	-36.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007608109	0	35	-1.0	-52.02	313.23	6.99	-45.03
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608110	0	43	-1.0	-60.22	351.16	7.02	-53.20
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007608111	0	43	-1.0	-45.53	335.92	8.01	-37.52
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007608112	0	38	-1.0	-43.13	329.65	5.96	-37.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007608113	0	38	-1.0	-49.74	309.27	5.44	-44.30
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007608114	0	39	-1.0	-45.67	320.49	3.27	-42.40
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007608115	0	42	-1.0	-55.81	365.36	6.67	-49.14
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007608116	0	32	-1.0	-63.37	291.95	6.16	-57.21
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007608117	0	39	-1.0	-58.65	316.98	8.01	-50.64
COC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=CS1	REAL300007608118	0	33	-1.0	-53.47	283.93	3.51	-49.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007608119	0	42	-1.0	-46.65	330.46	5.57	-41.08
CCC(C)N1N=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608120	0	41	-1.0	-46.92	323.40	4.76	-42.16
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N(C)C1CCCCCC1	REAL300007608121	0	46	-1.0	-43.56	336.82	5.88	-37.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007608122	0	46	-1.0	-51.16	352.67	3.57	-47.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007608123	0	38	-1.0	-52.02	319.86	6.49	-45.53
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007608124	0	36	-1.0	-51.54	305.83	4.56	-46.98
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007608125	0	47	-1.0	-59.03	365.29	8.59	-50.44
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300007608126	0	33	-1.0	-49.60	290.33	3.43	-46.17
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300007608127	0	43	-1.0	-62.04	333.51	6.97	-55.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007608128	0	40	-1.0	-58.45	325.26	6.04	-52.41
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CCF)N=C1	REAL300007608129	0	35	-1.0	-44.67	294.86	3.99	-40.68
CCOCC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608130	0	42	-1.0	-53.31	343.55	5.64	-47.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007608131	0	42	-1.0	-52.49	344.44	7.02	-45.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007608132	0	45	-1.0	-50.57	353.03	5.91	-44.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007608133	0	43	-1.0	-57.49	360.70	8.80	-48.69
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1CF	REAL300007608134	0	35	-1.0	-46.08	272.33	5.30	-40.78
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC(C)=C1Br	REAL300007608135	0	38	-1.0	-48.24	324.33	6.70	-41.54
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007608136	0	41	-1.0	-54.36	315.28	7.37	-46.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007608137	0	42	-1.0	-67.35	351.15	7.38	-59.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007608138	0	36	-1.0	-56.43	310.79	7.29	-49.14
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007608139	0	36	-1.0	-57.24	326.02	7.88	-49.36
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007608140	0	36	-1.0	-56.02	325.67	7.84	-48.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007608141	0	37	-1.0	-45.27	311.10	-1.16	-46.43
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007608142	0	35	-1.0	-53.28	292.14	5.36	-47.92
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CCC(F)(F)CC1	REAL300007608143	0	38	-1.0	-39.60	299.07	5.26	-34.34
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007608144	0	34	-1.0	-53.07	297.60	4.35	-48.72
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCOC1CCOC1	REAL300007608145	0	40	-1.0	-45.57	322.08	2.14	-43.43
CC1=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007608146	0	41	-1.0	-55.90	341.81	4.03	-51.87
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007608147	0	49	-1.0	-42.36	347.02	8.40	-33.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CC(C)(C)CO1	REAL300007608148	0	42	-1.0	-65.73	333.12	5.28	-60.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007608149	0	35	-1.0	-46.60	298.24	0.62	-45.98
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007608150	0	40	-1.0	-45.09	306.24	5.41	-39.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCCS(C)(=O)=O	REAL300007608151	0	40	-1.0	-53.83	337.91	1.73	-52.10
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007608152	0	45	-1.0	-57.18	341.60	5.13	-52.05
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007608153	0	42	-1.0	-58.95	340.09	8.39	-50.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007608154	0	36	-1.0	-46.98	315.23	3.99	-42.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007608155	0	42	-1.0	-62.69	353.63	8.98	-53.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007608156	0	41	-1.0	-44.13	323.35	3.36	-40.77
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007608157	0	45	-1.0	-41.62	337.86	7.51	-34.11
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007608158	0	36	-1.0	-43.56	306.69	6.71	-36.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007608159	0	54	-1.0	-45.26	394.83	9.58	-35.68
COC1=CC=C(C=C(C)S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007608160	0	43	-1.0	-44.57	342.94	5.92	-38.65
COC1=CSC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1OC	REAL300007608161	0	37	-1.0	-50.31	316.73	3.72	-46.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007608162	0	44	-1.0	-41.26	324.53	6.39	-34.87
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007608163	0	43	-1.0	-43.70	347.91	6.75	-36.95
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007608164	0	36	-1.0	-56.71	317.01	6.92	-49.79
COC1=CC(F)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1	REAL300007608165	0	36	-1.0	-45.51	305.20	4.51	-41.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007608166	0	36	-1.0	-50.60	312.13	4.60	-46.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007608167	0	38	-1.0	-49.33	310.71	4.91	-44.42
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007608168	0	39	-1.0	-55.07	320.34	6.73	-48.34
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007608169	0	41	-1.0	-49.36	345.51	5.45	-43.91
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608170	0	45	-1.0	-52.11	357.66	7.39	-44.72
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007608171	0	43	-1.0	-53.12	355.95	7.85	-45.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007608172	0	38	-1.0	-72.37	309.26	7.66	-64.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007608173	0	33	-1.0	-45.55	306.47	3.86	-41.69
C=C(C)COC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608174	0	43	-1.0	-54.06	350.32	6.58	-47.48
CCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300007608175	0	42	-1.0	-46.39	338.37	5.48	-40.91
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NSN=C2C=C1	REAL300007608176	0	36	-1.0	-52.54	301.57	4.16	-48.38
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007608177	0	38	-1.0	-50.09	329.28	7.74	-42.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007608178	0	42	-1.0	-49.43	357.57	8.89	-40.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007608179	0	31	-1.0	-58.82	297.74	4.35	-54.47
CCC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Br	REAL300007608180	0	38	-1.0	-47.94	325.67	6.83	-41.11
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608181	0	45	-1.0	-48.52	350.27	5.95	-42.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CS1	REAL300007608182	0	29	-1.0	-53.62	279.83	5.55	-48.07
COCCC1=CC=C(OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608183	0	46	-1.0	-55.89	364.82	5.35	-50.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007608184	0	38	-1.0	-46.64	316.03	7.39	-39.25
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007608185	0	40	-1.0	-47.12	317.08	2.67	-44.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007608186	0	39	-1.0	-53.66	302.71	6.58	-47.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCC(C)(C)CC1	REAL300007608187	0	43	-1.0	-56.53	318.55	5.86	-50.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007608188	0	47	-1.0	-44.53	369.51	5.32	-39.21
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608189	0	35	-1.0	-49.58	302.71	2.71	-46.87
COC1=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300007608190	0	38	-1.0	-42.42	307.89	2.68	-39.74
CC(C)CN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300007608191	0	41	-1.0	-45.80	325.13	5.43	-40.37
CC1=NN(C(C)C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608192	0	41	-1.0	-50.84	321.10	4.46	-46.38
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007608193	0	42	-1.0	-44.44	331.51	2.74	-41.70
COCC1=CC(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=NO1	REAL300007608194	0	38	-1.0	-45.52	321.60	2.83	-42.69
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007608195	0	37	-1.0	-50.93	317.51	6.81	-44.12
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007608196	0	43	-1.0	-49.81	343.29	6.11	-43.70
CC(C)N1N=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608197	0	38	-1.0	-46.85	305.05	4.12	-42.73
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007608198	0	39	-1.0	-47.21	310.42	4.71	-42.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007608199	0	39	-1.0	-52.95	321.39	6.46	-46.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007608200	0	34	-1.0	-51.41	295.60	3.82	-47.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007608201	0	37	-1.0	-52.17	302.29	5.31	-46.86
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=NN1C(C)C	REAL300007608202	0	41	-1.0	-51.09	321.55	4.34	-46.75
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007608203	0	46	-1.0	-58.02	378.67	9.51	-48.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007608204	0	37	-1.0	-57.29	300.87	5.34	-51.95
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CC=C(Br)CC1	REAL300007608205	0	35	-1.0	-49.60	298.61	4.71	-44.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007608206	0	40	-1.0	-42.05	319.95	1.66	-40.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CC2CCC(C1)O2	REAL300007608207	0	39	-1.0	-41.68	278.25	3.02	-38.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCC(C#N)CC1	REAL300007608208	0	38	-1.0	-59.57	302.70	5.21	-54.36
COC1=CC=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608209	0	35	-1.0	-53.44	292.24	2.38	-51.06
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C(F)F)=C1	REAL300007608210	0	39	-1.0	-67.45	321.55	6.42	-61.03
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)N=C1	REAL300007608211	0	35	-1.0	-51.81	292.84	2.26	-49.55
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608212	0	38	-1.0	-49.03	325.10	3.21	-45.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007608213	0	37	-1.0	-43.51	291.81	4.77	-38.74
CCOC1=CC=CN=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608214	0	38	-1.0	-60.39	310.94	4.18	-56.21
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300007608215	0	40	-1.0	-52.25	318.39	6.75	-45.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007608216	0	36	-1.0	-50.53	296.45	4.93	-45.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007608217	0	34	-1.0	-57.84	296.85	3.99	-53.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007608218	0	39	-1.0	-50.02	328.18	5.66	-44.36
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007608219	0	45	-1.0	-45.15	350.15	7.24	-37.91
CC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608220	0	39	-1.0	-54.99	317.12	4.16	-50.83
CCC(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608221	0	46	-1.0	-46.98	353.29	6.26	-40.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007608222	0	31	-1.0	-45.93	283.93	3.32	-42.61
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608223	0	41	-1.0	-49.68	327.02	4.11	-45.57
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608224	0	37	-1.0	-46.24	313.50	5.22	-41.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007608225	0	38	-1.0	-49.40	321.96	4.06	-45.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007608226	0	40	-1.0	-55.42	336.11	1.19	-54.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007608227	0	38	-1.0	-46.95	321.42	3.46	-43.49
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300007608228	0	45	-1.0	-48.82	350.92	3.80	-45.02
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608229	0	37	-1.0	-45.71	309.36	5.14	-40.57
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608230	0	40	-1.0	-49.26	310.38	2.54	-46.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007608231	0	50	-1.0	-46.62	377.29	7.47	-39.15
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007608232	0	40	-1.0	-49.71	319.12	2.83	-46.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300007608233	0	34	-1.0	-48.36	292.56	4.49	-43.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007608234	0	34	-1.0	-47.30	297.13	4.37	-42.93
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608235	0	39	-1.0	-55.59	305.42	5.92	-49.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007608236	0	40	-1.0	-51.09	337.93	5.84	-45.25
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608237	0	44	-1.0	-59.96	358.35	0.41	-59.55
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608238	0	45	-1.0	-50.16	358.00	5.51	-44.65
CC1=CC(F)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608239	0	37	-1.0	-46.40	303.24	4.40	-42.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007608240	0	40	-1.0	-48.92	320.57	4.16	-44.76
COCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608241	0	41	-1.0	-48.07	330.48	3.40	-44.67
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300007608242	0	40	-1.0	-46.95	323.59	1.18	-45.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007608243	0	43	-1.0	-58.77	360.60	1.86	-56.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300007608244	0	39	-1.0	-63.86	324.87	-0.14	-64.00
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1C	REAL300007608245	0	44	-1.0	-47.83	337.90	4.53	-43.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007608246	0	39	-1.0	-48.90	334.66	4.25	-44.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007608247	0	37	-1.0	-48.53	320.41	5.12	-43.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007608248	0	39	-1.0	-50.29	315.17	4.04	-46.25
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007608249	0	43	-1.0	-51.23	348.84	4.83	-46.40
CCN1N=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300007608250	0	43	-1.0	-48.64	331.79	3.47	-45.17
CC(C)N1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300007608251	0	40	-1.0	-49.65	319.12	2.71	-46.94
CC(C)CN1C=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608252	0	43	-1.0	-51.97	340.90	5.47	-46.50
CC(C)N1C=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608253	0	40	-1.0	-51.74	321.80	4.60	-47.14
CC(C)C1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1	REAL300007608254	0	40	-1.0	-51.92	319.73	2.57	-49.35
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608255	0	46	-1.0	-47.01	335.75	6.76	-40.25
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608256	0	42	-1.0	-58.58	341.00	3.07	-55.51
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300007608257	0	42	-1.0	-48.29	348.16	3.58	-44.71
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Br	REAL300007608258	0	37	-1.0	-46.49	315.01	4.84	-41.65
CC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608259	0	37	-1.0	-46.97	296.78	4.52	-42.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007608260	0	40	-1.0	-47.28	331.27	6.49	-40.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007608261	0	39	-1.0	-48.03	328.75	5.90	-42.13
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007608262	0	38	-1.0	-48.81	319.65	3.29	-45.52
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007608263	0	41	-1.0	-50.72	342.24	4.95	-45.77
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608264	0	49	-1.0	-48.37	370.30	4.53	-43.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007608265	0	37	-1.0	-48.10	307.59	4.53	-43.57
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608266	0	45	-1.0	-50.73	360.67	3.16	-47.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007609001	0	35	-1.0	-44.05	331.17	5.33	-38.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300007609002	0	38	-1.0	-44.44	325.47	5.23	-39.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300007609003	0	44	-1.0	-45.00	365.23	6.78	-38.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300007609004	0	38	-1.0	-43.89	311.10	4.85	-39.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300007609005	0	42	-1.0	-55.78	360.03	4.64	-51.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300007609006	0	34	-1.0	-52.01	313.94	6.64	-45.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300007609007	0	39	-1.0	-58.98	315.20	7.71	-51.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300007609008	0	40	-1.0	-61.90	344.14	3.11	-58.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007609009	0	43	-1.0	-48.53	384.92	3.05	-45.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300007609010	0	39	-1.0	-56.14	351.68	1.32	-54.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300007609011	0	39	-1.0	-63.28	333.33	3.08	-60.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007609012	0	34	-1.0	-43.47	297.73	6.01	-37.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300007609013	0	35	-1.0	-41.84	311.62	4.57	-37.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007609014	0	41	-1.0	-45.83	350.09	8.60	-37.23
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007609015	0	34	-1.0	-39.82	331.17	6.91	-32.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300007609016	0	37	-1.0	-53.56	354.90	5.73	-47.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007609017	0	51	-1.0	-52.94	409.63	8.77	-44.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300007609018	0	39	-1.0	-50.88	323.31	6.79	-44.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300007609019	0	39	-1.0	-55.85	339.50	2.79	-53.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300007609020	0	41	-1.0	-43.86	327.00	5.83	-38.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007609021	0	42	-1.0	-54.94	355.36	9.04	-45.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300007609022	0	41	-1.0	-55.58	341.19	6.01	-49.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007609023	0	39	-1.0	-55.09	316.39	6.17	-48.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007609024	0	36	-1.0	-48.71	299.05	5.22	-43.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007609025	0	44	-1.0	-49.31	375.71	9.03	-40.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300007609026	0	36	-1.0	-63.98	325.02	5.86	-58.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007609027	0	38	-1.0	-55.11	345.98	5.84	-49.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007609028	0	45	-1.0	-54.45	386.31	8.44	-46.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)CC)=C1	REAL300007609029	0	39	-1.0	-55.91	338.97	6.45	-49.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007609030	0	41	-1.0	-53.51	361.55	6.71	-46.80
CCCN(CC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300007609031	0	53	-1.0	-54.46	408.19	7.84	-46.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007609032	0	39	-1.0	-58.09	348.62	1.87	-56.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007609033	0	46	-1.0	-59.77	396.90	4.28	-55.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21	REAL300007609034	0	44	-1.0	-58.98	366.56	7.85	-51.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OCC	REAL300007609035	0	41	-1.0	-59.48	342.82	6.69	-52.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007609036	0	36	-1.0	-62.45	323.25	5.32	-57.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007609037	0	38	-1.0	-54.68	336.12	6.25	-48.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOCC)C=C1	REAL300007609038	0	45	-1.0	-55.72	381.88	5.61	-50.11
CCCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007609039	0	47	-1.0	-52.87	390.90	7.74	-45.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007609040	0	41	-1.0	-57.34	331.86	7.81	-49.53
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007609041	0	37	-1.0	-56.97	323.25	6.97	-50.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007609042	0	35	-1.0	-50.11	331.44	6.62	-43.49
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007609043	0	39	-1.0	-55.46	337.54	6.43	-49.03
CCCN(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007609044	0	37	-1.0	-43.31	310.41	1.36	-41.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007609045	0	36	-1.0	-58.48	323.24	5.33	-53.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C=C1C	REAL300007609046	0	41	-1.0	-43.84	332.96	5.78	-38.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300007609047	0	39	-1.0	-54.81	352.51	1.36	-53.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007609048	0	35	-1.0	-47.63	308.76	5.34	-42.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300007609049	0	35	-1.0	-53.30	315.25	6.18	-47.12
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007609050	0	37	-1.0	-41.46	336.71	6.91	-34.55
CCCN(CC(=O)[O-])S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300007609051	0	42	-1.0	-56.27	342.51	6.81	-49.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007609052	0	37	-1.0	-48.45	313.78	4.85	-43.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007609053	0	36	-1.0	-44.94	298.60	5.10	-39.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007609054	0	43	-1.0	-56.23	364.65	7.01	-49.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300007609055	0	37	-1.0	-40.64	330.33	6.72	-33.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007609056	0	37	-1.0	-56.29	348.00	5.95	-50.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007609057	0	40	-1.0	-55.92	339.75	6.75	-49.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300007609058	0	39	-1.0	-44.61	342.24	4.91	-39.70
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300007609059	0	38	-1.0	-58.64	343.48	5.76	-52.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300007609060	0	38	-1.0	-46.11	330.97	4.92	-41.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007609061	0	42	-1.0	-49.99	350.23	6.56	-43.43
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007609062	0	34	-1.0	-56.79	312.17	6.33	-50.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007609063	0	43	-1.0	-55.17	372.48	3.69	-51.48
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007609064	0	38	-1.0	-41.24	343.65	5.69	-35.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300007609065	0	39	-1.0	-47.72	348.86	5.05	-42.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007609066	0	39	-1.0	-63.85	338.35	6.00	-57.85
CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007609067	0	34	-1.0	-46.35	324.56	6.80	-39.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007609068	0	39	-1.0	-53.17	332.03	5.76	-47.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)C=CC=C1CC	REAL300007609069	0	43	-1.0	-41.86	326.18	7.81	-34.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300007609070	0	43	-1.0	-53.11	354.92	3.63	-49.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007609071	0	42	-1.0	-45.05	381.30	8.54	-36.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007609072	0	37	-1.0	-46.05	342.36	5.88	-40.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007609073	0	37	-1.0	-55.93	358.32	6.40	-49.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300007609074	0	40	-1.0	-56.31	351.34	4.21	-52.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007609075	0	34	-1.0	-41.35	311.32	3.65	-37.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007609076	0	34	-1.0	-51.77	301.02	3.81	-47.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007609077	0	39	-1.0	-53.66	328.67	5.78	-47.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300007609078	0	41	-1.0	-53.50	353.11	6.72	-46.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007609079	0	39	-1.0	-42.00	349.67	6.31	-35.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300007609080	0	36	-1.0	-40.14	320.10	6.38	-33.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300007609081	0	42	-1.0	-56.19	363.38	5.90	-50.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007609082	0	33	-1.0	-52.72	307.01	4.63	-48.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007609083	0	39	-1.0	-55.79	327.56	5.58	-50.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300007609084	0	40	-1.0	-54.77	342.22	8.08	-46.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007609085	0	39	-1.0	-46.79	327.02	5.57	-41.22
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007609086	0	36	-1.0	-59.78	321.93	5.22	-54.56
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007609087	0	37	-1.0	-55.62	336.81	7.18	-48.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007609088	0	43	-1.0	-49.55	350.11	5.73	-43.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007609089	0	33	-1.0	-50.03	309.74	4.37	-45.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300007609090	0	39	-1.0	-62.95	327.01	5.67	-57.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300007609091	0	39	-1.0	-53.48	335.60	7.17	-46.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300007609092	0	39	-1.0	-54.27	324.69	7.98	-46.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300007609093	0	39	-1.0	-49.40	330.37	7.04	-42.36
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300007609094	0	41	-1.0	-56.95	349.59	5.96	-50.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007609095	0	40	-1.0	-43.59	349.04	6.85	-36.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300007609096	0	39	-1.0	-55.37	333.95	3.75	-51.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300007609097	0	37	-1.0	-53.39	318.62	4.68	-48.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300007609098	0	35	-1.0	-41.76	321.44	5.05	-36.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007609099	0	37	-1.0	-56.58	324.11	6.53	-50.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300007609100	0	39	-1.0	-62.67	322.37	6.57	-56.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300007609101	0	36	-1.0	-46.49	319.59	2.86	-43.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC)C(CC)=C1	REAL300007609102	0	43	-1.0	-46.22	352.96	7.76	-38.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300007609103	0	39	-1.0	-40.03	325.77	7.22	-32.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300007609104	0	41	-1.0	-57.52	332.57	6.62	-50.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007609105	0	32	-1.0	-50.21	297.54	3.06	-47.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007609106	0	38	-1.0	-54.89	323.79	4.96	-49.93
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007609107	0	37	-1.0	-64.40	324.57	7.27	-57.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007609108	0	34	-1.0	-45.01	289.29	4.02	-40.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300007609109	0	37	-1.0	-50.97	318.17	6.26	-44.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007609110	0	38	-1.0	-46.31	331.89	4.96	-41.35
CCCN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007609111	0	44	-1.0	-42.63	374.67	6.73	-35.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007609112	0	35	-1.0	-49.47	305.50	5.13	-44.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007609113	0	33	-1.0	-49.65	303.39	4.97	-44.68
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007609114	0	34	-1.0	-41.05	314.38	6.41	-34.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300007609115	0	34	-1.0	-41.61	311.35	6.29	-35.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007609116	0	37	-1.0	-47.50	324.02	6.17	-41.33
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300007609117	0	40	-1.0	-54.01	361.20	6.62	-47.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007609118	0	39	-1.0	-44.64	308.52	6.51	-38.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007609119	0	38	-1.0	-48.61	341.01	3.04	-45.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007609120	0	40	-1.0	-49.42	332.44	5.57	-43.85
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007609121	0	34	-1.0	-55.88	318.45	6.41	-49.47
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007609122	0	56	-1.0	-52.90	455.39	10.09	-42.81
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(CCC)CC(=O)[O-]	REAL300007609123	0	41	-1.0	-56.68	364.19	7.45	-49.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(C)CC)=C1	REAL300007609124	0	44	-1.0	-49.58	365.93	6.85	-42.73
CCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCC1	REAL300007609125	0	44	-1.0	-56.41	352.70	5.50	-50.91
CCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300007609126	0	47	-1.0	-56.83	366.52	6.18	-50.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007609127	0	45	-1.0	-48.39	393.37	8.54	-39.85
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)C	REAL300007609128	0	50	-1.0	-44.19	407.36	8.24	-35.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CC2)C(CC)=N1	REAL300007609129	0	44	-1.0	-62.06	369.71	6.94	-55.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007609130	0	34	-1.0	-45.29	315.85	4.69	-40.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300007609131	0	39	-1.0	-52.88	332.00	7.18	-45.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007609132	0	38	-1.0	-50.55	318.94	4.99	-45.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007609133	0	44	-1.0	-51.71	372.79	7.39	-44.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007609134	0	34	-1.0	-42.35	314.13	3.69	-38.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007609135	0	42	-1.0	-55.90	375.60	9.25	-46.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007609136	0	41	-1.0	-62.22	341.16	8.69	-53.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1	REAL300007609137	0	51	-1.0	-53.88	426.48	9.82	-44.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(CC)=C(OC)C=C1C	REAL300007609138	0	44	-1.0	-52.80	354.25	6.35	-46.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007609139	0	37	-1.0	-49.96	346.27	7.02	-42.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007609140	0	33	-1.0	-60.43	299.57	4.03	-56.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300007609141	0	40	-1.0	-47.27	323.89	8.15	-39.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300007609142	0	40	-1.0	-50.31	344.18	3.66	-46.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300007609143	0	35	-1.0	-53.97	303.42	5.35	-48.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1	REAL300007609144	0	47	-1.0	-44.41	385.86	7.44	-36.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007609145	0	43	-1.0	-41.55	354.11	7.45	-34.10
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007609146	0	50	-1.0	-43.52	399.51	9.70	-33.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007609147	0	41	-1.0	-50.55	328.75	5.03	-45.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007609148	0	43	-1.0	-56.50	349.56	5.63	-50.87
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007609149	0	41	-1.0	-45.12	343.55	5.54	-39.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007609150	0	34	-1.0	-43.33	302.19	3.92	-39.41
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300007609151	0	38	-1.0	-58.94	333.16	5.31	-53.63
C=CCCC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007609152	0	41	-1.0	-53.83	352.27	7.93	-45.90
CCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)C	REAL300007609153	0	53	-1.0	-45.54	428.86	9.03	-36.51
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007609154	0	35	-1.0	-52.73	325.84	6.94	-45.79
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)(C)C	REAL300007609155	0	53	-1.0	-44.50	419.90	8.90	-35.60
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1CC	REAL300007609156	0	47	-1.0	-45.45	390.43	7.71	-37.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300007609157	0	37	-1.0	-40.92	314.27	7.06	-33.86
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300007609158	0	37	-1.0	-56.10	335.67	7.07	-49.03
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007609159	0	35	-1.0	-45.49	322.65	6.82	-38.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300007609160	0	47	-1.0	-53.59	385.88	7.80	-45.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007609161	0	36	-1.0	-51.41	298.80	5.05	-46.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1	REAL300007609162	0	46	-1.0	-44.17	404.79	9.05	-35.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007609163	0	38	-1.0	-52.82	321.04	4.61	-48.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007609164	0	38	-1.0	-50.01	313.57	4.74	-45.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007609165	0	41	-1.0	-52.13	342.47	5.57	-46.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007609166	0	42	-1.0	-45.47	342.34	3.58	-41.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007609167	0	37	-1.0	-52.55	342.39	6.03	-46.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007609168	0	38	-1.0	-50.46	315.59	5.14	-45.32
CCCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)C	REAL300007609169	0	56	-1.0	-43.97	450.36	9.80	-34.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300007609170	0	47	-1.0	-56.88	379.53	7.28	-49.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300007609171	0	41	-1.0	-57.40	344.73	6.68	-50.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1	REAL300007609172	0	54	-1.0	-47.10	441.34	7.66	-39.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300007609173	0	39	-1.0	-59.37	324.31	5.62	-53.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007609174	0	39	-1.0	-51.19	344.22	4.79	-46.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007609175	0	37	-1.0	-57.49	325.29	5.69	-51.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300007609176	0	36	-1.0	-56.66	315.85	4.77	-51.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007609177	0	35	-1.0	-56.89	327.11	5.63	-51.26
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007609178	0	34	-1.0	-48.13	315.04	6.64	-41.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007609179	0	38	-1.0	-45.85	326.97	4.95	-40.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300007609180	0	40	-1.0	-52.18	321.10	7.13	-45.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300007609181	0	39	-1.0	-56.45	326.42	5.08	-51.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007609182	0	44	-1.0	-46.48	357.74	5.95	-40.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300007609183	0	43	-1.0	-44.80	350.61	5.64	-39.16
CCCCN1C=C(S(=O)(=O)N(CCC)CC(=O)[O-])C(C)=N1	REAL300007609184	0	43	-1.0	-44.46	358.34	5.86	-38.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007609185	0	38	-1.0	-47.49	325.31	4.87	-42.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007609186	0	35	-1.0	-54.07	314.30	4.73	-49.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007609187	0	36	-1.0	-69.14	318.07	3.77	-65.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300007609188	0	37	-1.0	-42.84	321.12	6.74	-36.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007609189	0	37	-1.0	-50.28	338.92	6.17	-44.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007609190	0	41	-1.0	-46.59	340.36	5.37	-41.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300007609191	0	49	-1.0	-57.52	386.72	9.13	-48.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007609192	0	37	-1.0	-44.70	347.11	7.06	-37.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007609193	0	41	-1.0	-53.33	345.12	5.57	-47.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007609194	0	35	-1.0	-56.15	314.22	6.43	-49.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007609195	0	42	-1.0	-46.06	367.58	8.03	-38.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300007609196	0	40	-1.0	-71.37	338.42	6.41	-64.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007609197	0	38	-1.0	-51.76	314.97	4.47	-47.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007609198	0	40	-1.0	-52.09	320.40	4.77	-47.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007609199	0	40	-1.0	-53.29	335.64	4.64	-48.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007609200	0	38	-1.0	-44.25	318.81	4.13	-40.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300007609201	0	36	-1.0	-43.67	326.84	5.01	-38.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007609202	0	34	-1.0	-48.36	320.11	6.21	-42.15
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCC)CC(=O)[O-])=C1	REAL300007609203	0	42	-1.0	-55.68	360.46	7.22	-48.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007609204	0	42	-1.0	-45.14	338.83	8.10	-37.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007609205	0	37	-1.0	-51.69	335.03	6.10	-45.59
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007609206	0	38	-1.0	-48.48	326.94	3.53	-44.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300007609207	0	41	-1.0	-51.13	371.26	5.92	-45.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007609208	0	31	-1.0	-56.87	298.25	5.39	-51.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007609209	0	41	-1.0	-51.56	343.17	5.83	-45.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)CC	REAL300007609210	0	40	-1.0	-41.53	328.22	4.87	-36.66
CCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007609211	0	45	-1.0	-42.18	342.82	6.05	-36.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007609212	0	45	-1.0	-55.01	369.11	4.21	-50.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007609213	0	37	-1.0	-48.28	329.12	6.72	-41.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007609214	0	35	-1.0	-47.19	315.15	4.77	-42.42
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007609215	0	46	-1.0	-42.13	370.87	7.82	-34.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300007609216	0	42	-1.0	-52.09	340.35	7.23	-44.86
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007609217	0	39	-1.0	-39.23	332.63	5.33	-33.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC)=C1	REAL300007609218	0	41	-1.0	-46.25	352.83	5.88	-40.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007609219	0	34	-1.0	-53.44	334.65	7.17	-46.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007609220	0	41	-1.0	-50.47	350.82	6.35	-44.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007609221	0	44	-1.0	-44.78	362.54	6.13	-38.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007609222	0	42	-1.0	-45.03	364.58	8.04	-36.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300007609223	0	37	-1.0	-51.37	328.83	6.66	-44.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007609224	0	34	-1.0	-53.44	334.65	7.17	-46.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300007609225	0	40	-1.0	-61.20	334.12	8.11	-53.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007609226	0	41	-1.0	-45.81	348.17	6.36	-39.45
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007609227	0	35	-1.0	-53.13	315.52	6.49	-46.64
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007609228	0	35	-1.0	-52.69	330.41	7.04	-45.65
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007609229	0	35	-1.0	-52.54	330.40	7.05	-45.49
CCCN(CC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007609230	0	36	-1.0	-43.72	317.09	-0.88	-44.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007609231	0	33	-1.0	-49.89	306.77	4.58	-45.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007609232	0	40	-1.0	-49.46	350.23	4.40	-45.06
CCCN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007609233	0	48	-1.0	-58.51	351.83	8.04	-50.47
CCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007609234	0	39	-1.0	-54.46	309.71	5.41	-49.05
CCCN(CC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007609235	0	39	-1.0	-66.15	341.20	1.75	-64.40
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007609236	0	44	-1.0	-59.94	349.13	5.51	-54.43
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007609237	0	35	-1.0	-63.41	322.80	4.20	-59.21
CCCN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007609238	0	41	-1.0	-58.70	358.13	8.07	-50.63
CCCN(CC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007609239	0	40	-1.0	-42.36	327.94	2.61	-39.75
CCCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007609240	0	44	-1.0	-56.73	342.17	7.15	-49.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007609241	0	35	-1.0	-53.93	319.29	6.48	-47.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007609242	0	53	-1.0	-46.45	405.48	9.35	-37.10
CCCN(CC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300007609243	0	42	-1.0	-54.09	352.82	6.24	-47.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300007609244	0	36	-1.0	-57.08	324.28	3.11	-53.97
CCCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007609245	0	43	-1.0	-53.52	332.66	5.52	-48.00
CCCN(CC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007609246	0	42	-1.0	-42.97	354.14	6.97	-36.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007609247	0	35	-1.0	-53.36	320.24	6.14	-47.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300007609248	0	35	-1.0	-46.29	313.59	4.76	-41.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007609249	0	35	-1.0	-43.44	321.38	4.84	-38.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007609250	0	37	-1.0	-52.13	316.02	4.99	-47.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007609251	0	38	-1.0	-58.22	328.66	6.93	-51.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007609252	0	40	-1.0	-51.93	353.83	5.63	-46.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300007609253	0	44	-1.0	-54.99	362.61	7.44	-47.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007609254	0	42	-1.0	-56.45	365.39	8.06	-48.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007609255	0	37	-1.0	-50.90	307.64	6.60	-44.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007609256	0	32	-1.0	-44.82	307.44	4.15	-40.67
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCC)CC(=O)[O-])=C1	REAL300007609257	0	42	-1.0	-49.73	359.56	6.81	-42.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300007609258	0	41	-1.0	-47.31	346.84	5.74	-41.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300007609259	0	35	-1.0	-44.65	306.87	4.24	-40.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007609260	0	37	-1.0	-52.82	337.56	7.92	-44.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007609261	0	41	-1.0	-52.23	365.89	9.08	-43.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007609262	0	30	-1.0	-39.14	303.31	3.17	-35.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(CC)=C1	REAL300007609263	0	37	-1.0	-41.76	334.93	7.07	-34.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300007609264	0	44	-1.0	-44.50	356.95	6.22	-38.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300007609265	0	45	-1.0	-59.02	376.27	5.61	-53.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007609266	0	37	-1.0	-45.78	326.28	7.68	-38.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007609267	0	39	-1.0	-47.57	322.61	2.73	-44.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007609268	0	37	-1.0	-52.88	339.81	4.97	-47.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007609269	0	46	-1.0	-53.24	376.94	5.53	-47.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300007609270	0	34	-1.0	-52.54	314.25	2.98	-49.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300007609271	0	37	-1.0	-45.05	323.23	2.60	-42.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300007609272	0	40	-1.0	-54.73	338.52	5.29	-49.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300007609273	0	40	-1.0	-55.61	343.09	4.92	-50.69
CCCN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007609274	0	41	-1.0	-55.37	335.54	2.85	-52.52
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(COC)=C1	REAL300007609275	0	37	-1.0	-58.45	329.18	3.05	-55.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007609276	0	36	-1.0	-53.85	331.31	7.15	-46.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007609277	0	42	-1.0	-54.98	350.38	5.59	-49.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007609278	0	38	-1.0	-43.61	321.94	5.28	-38.33
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007609279	0	38	-1.0	-51.71	329.85	6.41	-45.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007609280	0	33	-1.0	-54.52	306.17	4.13	-50.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300007609281	0	40	-1.0	-49.77	333.74	4.89	-44.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300007609282	0	45	-1.0	-45.30	384.70	8.75	-36.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007609283	0	36	-1.0	-60.68	314.50	5.66	-55.02
CCCN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007609284	0	34	-1.0	-50.71	304.42	4.75	-45.96
CCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007609285	0	39	-1.0	-44.66	333.61	0.98	-43.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300007609286	0	38	-1.0	-62.58	324.11	5.61	-56.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300007609287	0	37	-1.0	-51.79	336.64	3.48	-48.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007609288	0	36	-1.0	-56.78	312.18	5.67	-51.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1OCC	REAL300007609289	0	37	-1.0	-52.03	318.94	4.66	-47.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300007609290	0	39	-1.0	-53.83	328.50	6.80	-47.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007609291	0	33	-1.0	-60.79	305.18	4.20	-56.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007609292	0	38	-1.0	-57.01	344.79	6.02	-50.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300007609293	0	44	-1.0	-59.64	360.90	7.32	-52.32
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300007609294	0	31	-1.0	-54.15	278.37	5.22	-48.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007609295	0	32	-1.0	-56.70	294.70	4.83	-51.87
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007609296	0	34	-1.0	-53.31	315.32	1.96	-51.35
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007609297	0	32	-1.0	-43.93	300.39	4.22	-39.71
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300007609298	0	39	-1.0	-46.64	319.28	4.01	-42.63
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007609299	0	44	-1.0	-53.09	355.34	8.20	-44.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007609300	0	34	-1.0	-54.06	297.96	3.54	-50.52
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007609301	0	28	-1.0	-56.03	259.05	4.63	-51.40
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007609302	0	28	-1.0	-44.07	275.71	5.05	-39.02
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300007609303	0	33	-1.0	-53.28	279.74	6.44	-46.84
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007609304	0	34	-1.0	-43.29	314.38	6.44	-36.85
CCN(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007609305	0	38	-1.0	-66.54	333.18	0.72	-65.82
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300007609306	0	39	-1.0	-53.15	335.92	6.23	-46.92
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007609307	0	37	-1.0	-55.89	339.65	2.65	-53.24
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300007609308	0	38	-1.0	-44.89	306.35	4.75	-40.14
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007609309	0	33	-1.0	-46.35	308.55	5.03	-41.32
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007609310	0	31	-1.0	-56.57	298.39	5.75	-50.82
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007609311	0	45	-1.0	-50.99	392.63	3.63	-47.36
CCN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007609312	0	38	-1.0	-59.40	322.22	-0.12	-59.52
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300007609313	0	37	-1.0	-51.66	320.65	5.62	-46.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007609314	0	41	-1.0	-62.75	358.07	7.42	-55.33
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007609315	0	36	-1.0	-47.81	320.86	3.84	-43.97
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007609316	0	34	-1.0	-51.70	318.26	5.44	-46.26
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300007609317	0	36	-1.0	-44.48	316.28	3.80	-40.68
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(Br)C=C1OC	REAL300007609318	0	36	-1.0	-45.43	327.36	4.28	-41.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300007609319	0	31	-1.0	-53.43	292.98	5.58	-47.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007609320	0	34	-1.0	-41.60	292.88	6.45	-35.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007609321	0	38	-1.0	-53.88	348.93	8.43	-45.45
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007609322	0	33	-1.0	-36.52	302.59	6.13	-30.39
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OCCOC)C(Cl)=C1	REAL300007609323	0	39	-1.0	-42.86	375.40	5.16	-37.70
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007609324	0	32	-1.0	-53.06	298.94	4.03	-49.03
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007609325	0	35	-1.0	-46.93	314.34	6.07	-40.86
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300007609326	0	43	-1.0	-54.78	348.85	5.74	-49.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300007609327	0	39	-1.0	-51.35	332.58	4.03	-47.32
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300007610001	0	43	-1.0	-54.01	343.47	6.21	-47.80
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300007610002	0	44	-1.0	-56.24	374.26	2.12	-54.12
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007610003	0	43	-1.0	-55.56	381.43	0.25	-55.31
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610004	0	43	-1.0	-57.50	364.99	2.10	-55.40
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N=C(C)S1	REAL300007610005	0	37	-1.0	-50.02	328.79	2.43	-47.59
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007610006	0	38	-1.0	-53.45	336.13	5.32	-48.13
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300007610007	0	39	-1.0	-49.64	340.66	3.46	-46.18
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007610008	0	45	-1.0	-56.56	379.02	7.50	-49.06
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007610009	0	38	-1.0	-48.93	359.35	6.11	-42.82
COCCN(CCC(=O)[O-])S(=O)(=O)CC1CCCCC1	REAL300007610010	0	44	-1.0	-52.28	346.79	5.24	-47.04
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300007610011	0	41	-1.0	-52.68	384.86	4.67	-48.01
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007610012	0	55	-1.0	-51.02	439.39	7.70	-43.32
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300007610013	0	43	-1.0	-58.02	357.20	6.59	-51.43
CNC(=O)C1=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=CN1C	REAL300007610014	0	43	-1.0	-53.81	369.46	1.73	-52.08
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300007610015	0	45	-1.0	-49.43	352.50	4.61	-44.82
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007610016	0	46	-1.0	-52.52	389.82	8.80	-43.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300007610017	0	45	-1.0	-52.69	370.25	4.97	-47.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007610018	0	43	-1.0	-50.91	346.59	5.11	-45.80
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007610019	0	40	-1.0	-55.81	340.99	4.73	-51.08
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007610020	0	48	-1.0	-54.11	404.74	7.93	-46.18
CCN1C=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007610021	0	40	-1.0	-55.94	358.22	4.88	-51.06
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007610022	0	42	-1.0	-52.04	375.74	4.77	-47.27
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007610023	0	49	-1.0	-52.39	416.08	7.36	-45.03
CCC(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007610024	0	43	-1.0	-55.75	367.90	5.35	-50.40
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007610025	0	45	-1.0	-49.17	390.27	5.68	-43.49
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007610026	0	38	-1.0	-58.47	327.09	3.04	-55.43
COCCN(CCC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300007610027	0	57	-1.0	-51.36	436.72	7.08	-44.28
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C)=C1	REAL300007610028	0	41	-1.0	-52.96	349.49	5.50	-47.46
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007610029	0	43	-1.0	-56.38	381.90	0.71	-55.67
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007610030	0	38	-1.0	-51.33	334.50	4.90	-46.43
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C	REAL300007610031	0	41	-1.0	-52.21	343.75	5.41	-46.80
CCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C2=CC=CC=C12	REAL300007610032	0	48	-1.0	-54.65	395.98	6.76	-47.89
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610033	0	45	-1.0	-55.26	371.65	5.59	-49.67
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007610034	0	40	-1.0	-68.94	353.21	4.26	-64.68
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007610035	0	42	-1.0	-54.84	365.57	6.03	-48.81
CCOCCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007610036	0	49	-1.0	-53.08	411.65	4.54	-48.54
CCCCCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007610037	0	51	-1.0	-52.10	420.68	6.67	-45.43
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007610038	0	45	-1.0	-53.00	361.51	6.75	-46.25
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007610039	0	41	-1.0	-57.38	352.70	5.92	-51.46
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007610040	0	39	-1.0	-51.28	361.20	5.55	-45.73
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007610041	0	40	-1.0	-50.94	330.96	3.53	-47.41
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007610042	0	43	-1.0	-58.24	367.74	5.38	-52.86
COCCN(CCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007610043	0	41	-1.0	-56.74	344.28	0.44	-56.30
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007610044	0	40	-1.0	-59.14	353.10	4.26	-54.88
CCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C(C)=C1	REAL300007610045	0	45	-1.0	-51.13	363.95	4.77	-46.36
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007610046	0	43	-1.0	-54.86	381.45	0.25	-54.61
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007610047	0	39	-1.0	-52.19	339.42	4.32	-47.87
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300007610048	0	39	-1.0	-51.21	345.02	5.11	-46.10
CCCCCCCS(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610049	0	46	-1.0	-50.71	375.67	5.71	-45.00
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007610050	0	41	-1.0	-51.27	367.14	5.86	-45.41
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610051	0	46	-1.0	-52.34	372.47	5.75	-46.59
CCN1C=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])N=C1C	REAL300007610052	0	41	-1.0	-59.93	340.56	3.84	-56.09
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007610053	0	41	-1.0	-53.53	344.44	3.83	-49.70
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007610054	0	40	-1.0	-53.77	340.91	4.60	-49.17
COCCN(CCC(=O)[O-])S(=O)(=O)CC1CCCCO1	REAL300007610055	0	42	-1.0	-53.55	341.70	4.05	-49.50
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300007610056	0	41	-1.0	-47.70	359.36	5.61	-42.09
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007610057	0	41	-1.0	-55.97	378.76	5.82	-50.15
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007610058	0	44	-1.0	-49.93	369.71	5.69	-44.24
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300007610059	0	43	-1.0	-51.19	357.74	3.74	-47.45
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300007610060	0	42	-1.0	-54.81	372.75	4.72	-50.09
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300007610061	0	42	-1.0	-53.23	359.90	3.81	-49.42
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007610062	0	46	-1.0	-53.92	380.89	5.53	-48.39
CCN1C=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=N1	REAL300007610063	0	38	-1.0	-48.92	331.05	3.48	-45.44
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007610064	0	38	-1.0	-52.56	341.42	5.29	-47.27
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007610065	0	42	-1.0	-52.53	373.84	4.63	-47.90
COCCN(CCC(=O)[O-])S(=O)(=O)N(C)C(C)C1CC1	REAL300007610066	0	43	-1.0	-51.16	340.98	3.75	-47.41
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007610067	0	43	-1.0	-58.16	368.19	4.94	-53.22
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007610068	0	38	-1.0	-53.96	354.75	5.74	-48.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007610069	0	43	-1.0	-52.59	361.89	4.70	-47.89
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610070	0	47	-1.0	-49.36	358.27	6.97	-42.39
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300007610071	0	47	-1.0	-55.84	386.02	2.62	-53.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007610072	0	41	-1.0	-50.31	371.00	5.65	-44.66
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300007610073	0	44	-1.0	-58.87	381.30	3.16	-55.71
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007610074	0	38	-1.0	-52.58	348.99	2.95	-49.63
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C)=C1	REAL300007610075	0	38	-1.0	-53.29	323.62	3.56	-49.73
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CS1	REAL300007610076	0	35	-1.0	-49.65	318.99	3.78	-45.87
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007610077	0	38	-1.0	-51.09	335.16	4.51	-46.58
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007610078	0	38	-1.0	-54.82	330.98	2.75	-52.07
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)N=C1	REAL300007610079	0	38	-1.0	-51.69	328.87	1.48	-50.21
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300007610080	0	39	-1.0	-55.95	335.09	3.63	-52.32
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CS1	REAL300007610081	0	35	-1.0	-50.56	312.24	3.79	-46.77
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007610082	0	43	-1.0	-53.34	358.53	4.71	-48.63
COCCN(CCC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007610083	0	42	-1.0	-53.32	343.45	5.80	-47.52
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300007610084	0	45	-1.0	-51.96	375.38	5.72	-46.24
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007610085	0	43	-1.0	-48.33	378.72	5.21	-43.12
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300007610086	0	40	-1.0	-49.95	349.04	5.27	-44.68
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300007610087	0	46	-1.0	-59.00	393.12	4.83	-54.17
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C	REAL300007610088	0	38	-1.0	-52.26	331.88	2.45	-49.81
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=NN1C	REAL300007610089	0	38	-1.0	-49.46	319.17	2.49	-46.97
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007610090	0	37	-1.0	-52.10	333.68	4.26	-47.84
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007610091	0	43	-1.0	-53.98	357.31	4.51	-49.47
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300007610092	0	44	-1.0	-53.80	372.07	7.01	-46.79
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CS1	REAL300007610093	0	36	-1.0	-55.25	328.45	2.89	-52.36
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007610094	0	43	-1.0	-53.20	356.45	4.48	-48.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007610095	0	40	-1.0	-56.21	334.07	5.35	-50.86
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007610096	0	40	-1.0	-60.49	351.44	4.17	-56.32
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007610097	0	40	-1.0	-52.25	340.62	3.93	-48.32
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007610098	0	41	-1.0	-52.46	366.07	6.14	-46.32
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007610099	0	47	-1.0	-54.47	379.05	4.64	-49.83
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007610100	0	37	-1.0	-51.53	339.60	3.31	-48.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300007610101	0	43	-1.0	-59.13	357.08	4.61	-54.52
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300007610102	0	43	-1.0	-47.72	358.60	5.79	-41.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300007610103	0	43	-1.0	-55.88	353.92	6.94	-48.94
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300007610104	0	43	-1.0	-54.57	362.71	6.09	-48.48
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300007610105	0	45	-1.0	-53.74	378.85	4.92	-48.82
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(OC)=C1	REAL300007610106	0	38	-1.0	-51.93	329.44	1.55	-50.38
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007610107	0	44	-1.0	-49.52	378.42	5.76	-43.76
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007610108	0	42	-1.0	-52.22	354.05	6.19	-46.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300007610109	0	43	-1.0	-55.08	360.67	3.39	-51.69
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1CCCCC1	REAL300007610110	0	47	-1.0	-51.02	370.36	5.80	-45.22
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C(C)C=C1	REAL300007610111	0	44	-1.0	-52.89	370.75	6.29	-46.60
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300007610112	0	41	-1.0	-49.36	338.81	3.20	-46.16
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007610113	0	38	-1.0	-57.99	331.71	4.50	-53.49
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300007610114	0	39	-1.0	-49.38	350.47	3.95	-45.43
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1CCCC1	REAL300007610115	0	44	-1.0	-51.05	354.78	5.24	-45.81
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007610116	0	41	-1.0	-62.91	353.17	5.44	-57.47
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300007610117	0	43	-1.0	-60.83	352.37	5.62	-55.21
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300007610118	0	40	-1.0	-52.03	338.55	1.89	-50.14
CCC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1CC	REAL300007610119	0	47	-1.0	-52.22	381.90	6.65	-45.57
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300007610120	0	43	-1.0	-48.00	353.86	6.08	-41.92
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300007610121	0	45	-1.0	-54.61	361.70	5.58	-49.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)S1	REAL300007610122	0	38	-1.0	-50.15	338.42	4.51	-45.64
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007610123	0	36	-1.0	-49.07	327.38	2.01	-47.06
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C)S1	REAL300007610124	0	34	-1.0	-50.85	313.90	1.89	-48.96
CCC1=NC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])S1	REAL300007610125	0	37	-1.0	-50.46	335.38	2.64	-47.82
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)ON=C1N	REAL300007610126	0	36	-1.0	-45.48	307.86	2.20	-43.28
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007610127	0	42	-1.0	-54.84	351.59	4.63	-50.21
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)S1	REAL300007610128	0	38	-1.0	-53.81	331.63	4.66	-49.15
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007610129	0	41	-1.0	-58.32	353.88	6.20	-52.12
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007610130	0	38	-1.0	-55.09	325.05	3.64	-51.45
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300007610131	0	41	-1.0	-47.84	338.22	5.45	-42.39
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007610132	0	42	-1.0	-52.30	360.92	3.85	-48.45
COCCN(CCC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007610133	0	48	-1.0	-53.65	405.11	5.67	-47.98
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007610134	0	39	-1.0	-59.74	345.26	4.24	-55.50
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007610135	0	37	-1.0	-59.49	334.05	3.94	-55.55
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)N=C1	REAL300007610136	0	37	-1.0	-53.85	318.29	3.62	-50.23
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CSC(C)=N1	REAL300007610137	0	37	-1.0	-57.64	334.43	2.52	-55.12
COCCN(CCC(=O)[O-])S(=O)(=O)CC(OC)C1CC1	REAL300007610138	0	42	-1.0	-54.28	346.28	3.45	-50.83
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007610139	0	38	-1.0	-52.70	344.57	5.36	-47.34
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300007610140	0	38	-1.0	-49.85	340.30	5.18	-44.67
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007610141	0	41	-1.0	-53.12	353.04	5.07	-48.05
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300007610142	0	44	-1.0	-51.33	391.16	5.56	-45.77
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007610143	0	43	-1.0	-54.12	353.28	5.45	-48.67
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007610144	0	42	-1.0	-60.09	369.96	1.95	-58.14
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007610145	0	44	-1.0	-56.66	363.11	4.56	-52.10
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007610146	0	38	-1.0	-52.38	347.71	5.36	-47.02
CCC(C)OC1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007610147	0	48	-1.0	-51.73	394.86	5.74	-45.99
COCCN(CCC(=O)[O-])S(=O)(=O)CC(OC)C1CCCC1	REAL300007610148	0	48	-1.0	-51.57	381.96	4.45	-47.12
COCCN(CCC(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300007610149	0	51	-1.0	-52.04	395.78	5.13	-46.91
COCCN(CCC(=O)[O-])S(=O)(=O)C1COC(C)(C)C1	REAL300007610150	0	42	-1.0	-50.25	342.03	2.65	-47.60
CCOC(CS(=O)(=O)N(CCOC)CCC(=O)[O-])C1CC1	REAL300007610151	0	45	-1.0	-54.55	368.17	4.42	-50.13
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1C(C)C	REAL300007610152	0	54	-1.0	-50.19	436.39	7.14	-43.05
CCC1=NC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=CN1CC1CC1	REAL300007610153	0	48	-1.0	-52.68	399.07	6.71	-45.97
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007610154	0	38	-1.0	-50.80	345.12	3.56	-47.24
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300007610155	0	43	-1.0	-54.70	360.82	6.09	-48.61
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007610156	0	42	-1.0	-49.26	346.62	3.79	-45.47
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007610157	0	48	-1.0	-52.29	410.57	6.50	-45.79
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007610158	0	38	-1.0	-49.29	343.05	2.74	-46.55
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007610159	0	46	-1.0	-55.89	405.45	8.18	-47.71
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007610160	0	45	-1.0	-57.87	370.87	7.63	-50.24
CCC1=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C(C)C=C1OC	REAL300007610161	0	48	-1.0	-52.68	384.80	5.36	-47.32
COCCN(CCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007610162	0	37	-1.0	-61.09	329.53	2.98	-58.11
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300007610163	0	44	-1.0	-57.55	351.93	7.02	-50.53
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300007610164	0	44	-1.0	-51.51	370.86	3.34	-48.17
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300007610165	0	39	-1.0	-49.44	333.38	4.29	-45.15
CCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1C(C)C	REAL300007610166	0	51	-1.0	-50.42	414.89	6.34	-44.08
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007610167	0	47	-1.0	-53.64	383.05	6.34	-47.30
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007610168	0	54	-1.0	-53.40	429.70	8.65	-44.75
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007610169	0	45	-1.0	-49.19	359.94	4.49	-44.70
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007610170	0	47	-1.0	-52.61	375.62	4.35	-48.26
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007610171	0	45	-1.0	-53.93	372.78	4.42	-49.51
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007610172	0	38	-1.0	-44.18	326.48	2.69	-41.49
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300007610173	0	42	-1.0	-55.00	362.42	4.26	-50.74
C=CCCC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007610174	0	45	-1.0	-50.12	381.58	7.70	-42.42
CCC1=NN(C)C=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610175	0	41	-1.0	-53.22	352.46	4.11	-49.11
COCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007610176	0	39	-1.0	-51.07	355.80	5.88	-45.19
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1CC	REAL300007610177	0	51	-1.0	-51.14	419.37	6.60	-44.54
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300007610178	0	41	-1.0	-47.64	339.68	5.83	-41.81
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300007610179	0	41	-1.0	-50.57	365.17	6.03	-44.54
COCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007610180	0	39	-1.0	-51.82	353.31	5.79	-46.03
CCCC1=CC=CC=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610181	0	44	-1.0	-52.92	358.77	6.59	-46.33
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC	REAL300007610182	0	38	-1.0	-51.69	327.43	1.43	-50.26
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300007610183	0	51	-1.0	-48.96	411.88	7.39	-41.57
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007610184	0	40	-1.0	-57.53	341.42	4.73	-52.80
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C)N1C	REAL300007610185	0	38	-1.0	-55.37	321.83	3.12	-52.25
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC=C1C	REAL300007610186	0	38	-1.0	-49.70	321.88	4.59	-45.11
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007610187	0	42	-1.0	-50.06	355.41	3.75	-46.31
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007610188	0	42	-1.0	-51.56	355.62	4.05	-47.51
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007610189	0	45	-1.0	-50.03	372.69	4.77	-45.26
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007610190	0	46	-1.0	-55.04	379.91	2.26	-52.78
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007610191	0	41	-1.0	-52.47	372.20	4.96	-47.51
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007610192	0	42	-1.0	-54.28	351.53	4.23	-50.05
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300007610193	0	51	-1.0	-53.69	409.39	6.21	-47.48
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300007610194	0	45	-1.0	-53.59	375.85	5.66	-47.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300007610195	0	43	-1.0	-53.90	360.33	4.89	-49.01
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007610196	0	43	-1.0	-51.26	374.18	3.74	-47.52
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007610197	0	41	-1.0	-54.62	355.36	4.64	-49.98
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300007610198	0	40	-1.0	-60.44	342.31	3.57	-56.87
CCN1N=NC=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610199	0	37	-1.0	-49.69	315.25	2.08	-47.61
COCCN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007610200	0	44	-1.0	-51.81	347.43	4.76	-47.05
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007610201	0	36	-1.0	-46.76	319.72	2.88	-43.88
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007610202	0	38	-1.0	-54.29	343.07	6.35	-47.94
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007610203	0	42	-1.0	-50.72	356.34	3.88	-46.84
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300007610204	0	44	-1.0	-52.47	351.29	6.07	-46.40
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300007610205	0	43	-1.0	-56.42	356.38	4.02	-52.40
COCCN(CCC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007610206	0	38	-1.0	-55.17	332.02	4.30	-50.87
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007610207	0	48	-1.0	-51.50	389.39	4.96	-46.54
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300007610208	0	47	-1.0	-52.28	378.09	4.35	-47.93
CCCCN1C=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C(C)=N1	REAL300007610209	0	47	-1.0	-51.27	388.70	4.75	-46.52
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007610210	0	42	-1.0	-54.43	355.96	3.84	-50.59
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007610211	0	39	-1.0	-54.82	344.07	3.66	-51.16
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007610212	0	40	-1.0	-69.71	343.00	3.67	-66.04
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300007610213	0	41	-1.0	-52.03	353.04	5.78	-46.25
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300007610214	0	46	-1.0	-49.03	358.97	4.95	-44.08
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007610215	0	41	-1.0	-51.76	370.06	5.15	-46.61
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007610216	0	45	-1.0	-53.41	365.78	5.02	-48.39
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300007610217	0	53	-1.0	-52.87	416.70	8.10	-44.77
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007610218	0	45	-1.0	-48.18	378.18	4.76	-43.42
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007610219	0	39	-1.0	-53.32	343.98	5.37	-47.95
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007610220	0	46	-1.0	-54.47	395.74	6.95	-47.52
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300007610221	0	44	-1.0	-67.72	368.51	5.35	-62.37
CCCC1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007610222	0	44	-1.0	-52.30	369.32	6.30	-46.00
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007610223	0	42	-1.0	-50.06	344.34	4.22	-45.84
COCCN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007610224	0	41	-1.0	-51.50	330.48	3.42	-48.08
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1C	REAL300007610225	0	41	-1.0	-49.89	322.51	5.29	-44.60
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007610226	0	44	-1.0	-50.18	349.83	3.72	-46.46
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007610227	0	44	-1.0	-49.23	369.46	4.63	-44.60
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007610228	0	42	-1.0	-53.45	349.26	3.09	-50.36
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300007610229	0	40	-1.0	-47.59	355.79	3.87	-43.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007610230	0	38	-1.0	-48.13	349.97	5.14	-42.99
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C	REAL300007610231	0	38	-1.0	-50.45	323.61	2.34	-48.11
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C	REAL300007610232	0	41	-1.0	-52.80	337.34	5.46	-47.34
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007610233	0	46	-1.0	-55.41	389.40	6.12	-49.29
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007610234	0	46	-1.0	-53.74	370.90	7.09	-46.65
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007610235	0	41	-1.0	-51.23	364.47	5.07	-46.16
COCCN(CCC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007610236	0	41	-1.0	-50.12	346.00	4.88	-45.24
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007610237	0	42	-1.0	-54.28	357.13	2.47	-51.81
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007610238	0	35	-1.0	-53.38	315.94	4.57	-48.81
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007610239	0	42	-1.0	-51.89	354.06	6.18	-45.71
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)SC=C1	REAL300007610240	0	36	-1.0	-52.17	325.31	2.73	-49.44
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007610241	0	45	-1.0	-51.64	373.13	4.77	-46.87
CCC(C)N1N=CC=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610242	0	44	-1.0	-49.41	363.08	3.89	-45.52
CCC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])O1	REAL300007610243	0	38	-1.0	-54.39	331.43	3.71	-50.68
COCCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007610244	0	49	-1.0	-53.36	372.01	5.01	-48.35
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007610245	0	49	-1.0	-54.74	397.59	3.17	-51.57
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007610246	0	41	-1.0	-50.59	358.05	5.61	-44.98
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007610247	0	39	-1.0	-54.17	344.19	3.67	-50.50
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007610248	0	50	-1.0	-50.27	399.33	6.68	-43.59
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)S1	REAL300007610249	0	36	-1.0	-51.93	329.07	2.55	-49.38
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300007610250	0	46	-1.0	-59.95	370.06	6.74	-53.21
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007610251	0	43	-1.0	-51.85	360.23	4.15	-47.70
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300007610252	0	38	-1.0	-51.10	326.09	2.67	-48.43
CCOCC1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007610253	0	45	-1.0	-53.19	381.75	4.77	-48.42
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007610254	0	45	-1.0	-53.07	388.19	5.33	-47.74
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007610255	0	48	-1.0	-53.90	391.77	5.02	-48.88
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007610256	0	46	-1.0	-51.74	393.51	6.94	-44.80
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300007610257	0	38	-1.0	-52.14	324.00	5.11	-47.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(C)=C1	REAL300007610258	0	37	-1.0	-53.30	321.32	2.94	-50.36
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300007610259	0	41	-1.0	-48.25	348.89	5.85	-42.40
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300007610260	0	44	-1.0	-56.42	363.53	7.02	-49.40
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007610261	0	45	-1.0	-57.57	381.64	5.32	-52.25
COCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007610262	0	39	-1.0	-52.15	345.48	5.43	-46.72
COCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007610263	0	39	-1.0	-50.97	360.36	5.98	-44.99
COCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007610264	0	39	-1.0	-51.55	360.36	5.99	-45.56
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007610265	0	40	-1.0	-58.79	347.52	-1.92	-60.71
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007610266	0	38	-1.0	-51.28	330.11	4.46	-46.82
COCCN(CCC(=O)[O-])S(=O)(=O)C1CCC(F)(F)CC1	REAL300007610267	0	41	-1.0	-55.10	337.06	4.52	-50.58
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007610268	0	37	-1.0	-57.22	335.84	3.48	-53.74
COCCN(CCC(=O)[O-])S(=O)(=O)CCOC1CCOC1	REAL300007610269	0	43	-1.0	-53.88	359.16	1.31	-52.57
COCCN(CCC(=O)[O-])S(=O)(=O)CC1COCCO1	REAL300007610270	0	40	-1.0	-54.67	332.44	1.48	-53.19
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007610271	0	44	-1.0	-58.15	382.80	3.18	-54.97
COCCN(CCC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007610272	0	52	-1.0	-50.58	380.76	7.86	-42.72
COCCN(CCC(=O)[O-])S(=O)(=O)CCN1C=NN=N1	REAL300007610273	0	36	-1.0	-56.12	319.11	1.99	-54.13
COCCN(CCC(=O)[O-])S(=O)(=O)CC1CC(C)(C)CO1	REAL300007610274	0	45	-1.0	-56.52	364.67	3.30	-53.22
COCCN(CCC(=O)[O-])S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007610275	0	38	-1.0	-60.11	335.07	-0.20	-60.31
COCCN(CCC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007610276	0	43	-1.0	-51.86	343.32	4.57	-47.29
COCCN(CCC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007610277	0	43	-1.0	-62.42	374.81	0.93	-61.49
COCCN(CCC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007610278	0	48	-1.0	-54.56	378.59	4.45	-50.11
COCCN(CCC(=O)[O-])S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007610279	0	45	-1.0	-52.09	374.61	6.42	-45.67
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007610280	0	39	-1.0	-53.69	352.31	3.16	-50.53
COCCN(CCC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007610281	0	45	-1.0	-53.67	387.39	7.02	-46.65
COCCN(CCC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007610282	0	44	-1.0	-54.89	354.56	1.84	-53.05
COCCN(CCC(=O)[O-])S(=O)(=O)C1(CCOC)CC1	REAL300007610283	0	42	-1.0	-49.26	345.55	3.03	-46.23
CCN1N=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=N1	REAL300007610284	0	37	-1.0	-54.49	326.23	0.95	-53.54
COCCN(CCC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007610285	0	48	-1.0	-52.15	371.62	6.12	-46.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007610286	0	39	-1.0	-49.69	349.25	5.43	-44.26
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007610287	0	57	-1.0	-53.39	434.48	8.26	-45.13
COCCN(CCC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300007610288	0	46	-1.0	-52.72	382.77	5.17	-47.55
COCCN(CCC(=O)[O-])S(=O)(=O)[C@H]1COC[C@H]1OC	REAL300007610289	0	40	-1.0	-55.36	325.11	0.80	-54.56
CCC1=NNC=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610290	0	38	-1.0	-51.70	310.43	2.13	-49.57
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300007610291	0	40	-1.0	-51.45	353.65	2.91	-48.54
COCCN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007610292	0	47	-1.0	-52.00	362.11	5.23	-46.77
COCCN(CCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007610293	0	46	-1.0	-51.57	383.28	5.85	-45.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007610294	0	39	-1.0	-52.42	350.19	5.09	-47.33
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300007610295	0	39	-1.0	-53.37	341.63	3.63	-49.74
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007610296	0	39	-1.0	-56.26	350.31	3.73	-52.53
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007610297	0	41	-1.0	-51.04	345.97	3.94	-47.10
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007610298	0	42	-1.0	-57.31	358.51	5.86	-51.45
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007610299	0	44	-1.0	-52.10	383.80	4.57	-47.53
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300007610300	0	48	-1.0	-53.08	392.74	6.31	-46.77
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007610301	0	46	-1.0	-56.84	395.25	7.00	-49.84
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007610302	0	41	-1.0	-59.16	343.13	5.85	-53.31
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007610303	0	36	-1.0	-54.80	339.70	4.16	-50.64
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007610304	0	46	-1.0	-57.24	388.57	5.71	-51.53
CCN1C=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C(C2CC2)=N1	REAL300007610305	0	45	-1.0	-52.16	377.50	4.72	-47.44
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300007610306	0	39	-1.0	-62.43	335.68	3.15	-59.28
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007610307	0	41	-1.0	-52.14	367.41	6.86	-45.28
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007610308	0	45	-1.0	-51.45	395.85	8.02	-43.43
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007610309	0	34	-1.0	-45.58	331.97	2.95	-42.63
CCC1=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=CC=C1Br	REAL300007610310	0	41	-1.0	-49.96	363.87	5.96	-44.00
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300007610311	0	48	-1.0	-50.39	390.17	5.23	-45.16
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)OC=C1	REAL300007610312	0	32	-1.0	-52.04	299.96	2.49	-49.55
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300007610313	0	32	-1.0	-48.90	314.10	3.62	-45.28
COCCC1=CC=C(OC)C(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007610314	0	49	-1.0	-55.15	406.23	4.55	-50.60
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007610315	0	41	-1.0	-53.38	363.28	7.03	-46.35
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007610316	0	43	-1.0	-49.97	350.14	1.73	-48.24
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007610317	0	42	-1.0	-53.12	339.09	5.78	-47.34
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C)(C)CC1	REAL300007610318	0	46	-1.0	-50.90	357.11	4.14	-46.76
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007610319	0	50	-1.0	-51.85	406.71	4.46	-47.39
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300007610320	0	38	-1.0	-49.54	344.21	1.93	-47.61
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300007610321	0	41	-1.0	-49.97	352.17	1.46	-48.51
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300007610322	0	44	-1.0	-51.89	356.46	4.11	-47.78
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300007610323	0	44	-1.0	-52.83	371.12	3.74	-49.09
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007610324	0	45	-1.0	-50.40	358.65	1.84	-48.56
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC(COC)=C1	REAL300007610325	0	41	-1.0	-53.99	358.43	2.00	-51.99
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007610326	0	46	-1.0	-51.40	380.34	4.53	-46.87
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)C	REAL300007610327	0	41	-1.0	-49.79	349.84	3.40	-46.39
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007610328	0	42	-1.0	-48.05	350.00	4.81	-43.24
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007610329	0	42	-1.0	-54.35	362.28	5.18	-49.17
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007610330	0	37	-1.0	-52.42	336.13	3.07	-49.35
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007610331	0	40	-1.0	-52.87	337.18	4.39	-48.48
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300007610332	0	44	-1.0	-54.48	370.75	3.83	-50.65
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300007610333	0	49	-1.0	-52.20	413.71	7.65	-44.55
COCCN(CCC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007610334	0	40	-1.0	-55.85	338.93	4.48	-51.37
COCCN(CCC(=O)[O-])S(=O)(=O)C1=NC=C(C)C=C1C	REAL300007610335	0	40	-1.0	-58.86	331.21	3.43	-55.43
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NC=C1C	REAL300007610336	0	37	-1.0	-50.57	309.36	2.81	-47.76
COCCN(CCC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007610337	0	38	-1.0	-49.89	333.58	4.47	-45.42
COCCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007610338	0	43	-1.0	-60.71	360.82	-0.13	-60.84
COCCN(CCC(=O)[O-])S(=O)(=O)N1CC2CCC(C1)O2	REAL300007610339	0	42	-1.0	-50.59	317.57	1.66	-48.93
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C#N)CC1	REAL300007610340	0	41	-1.0	-55.01	341.99	3.50	-51.51
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=N1	REAL300007610341	0	38	-1.0	-55.51	327.27	2.20	-53.31
C=CCN(CC=C)S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610342	0	41	-1.0	-49.81	342.28	4.59	-45.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300007610343	0	42	-1.0	-51.58	353.29	4.42	-47.16
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=N1	REAL300007610344	0	38	-1.0	-51.45	333.36	1.51	-49.94
COCCN(CCC(=O)[O-])S(=O)(=O)C1=NC=CC=C1C	REAL300007610345	0	37	-1.0	-53.01	310.70	2.91	-50.10
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300007610346	0	41	-1.0	-50.09	366.59	2.42	-47.67
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007610347	0	40	-1.0	-54.63	341.97	4.63	-50.00
CCOC1=CC=CN=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007610348	0	41	-1.0	-60.21	353.02	3.30	-56.91
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300007610349	0	43	-1.0	-61.64	359.16	5.78	-55.86
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NC(C)=C1	REAL300007610350	0	37	-1.0	-50.21	321.80	2.94	-47.27
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007610351	0	39	-1.0	-52.64	335.74	3.97	-48.67
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)C1	REAL300007610352	0	37	-1.0	-52.51	319.79	2.50	-50.01
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007610353	0	37	-1.0	-59.25	336.33	3.30	-55.95
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007610354	0	42	-1.0	-50.65	374.75	4.96	-45.69
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300007610355	0	48	-1.0	-53.56	390.86	6.26	-47.30
CC(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610356	0	39	-1.0	-63.16	330.60	5.74	-57.42
CCC(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610357	0	46	-1.0	-48.88	363.47	7.74	-41.14
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300007610358	0	31	-1.0	-46.52	296.84	4.85	-41.67
COC1=CC=C(C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610359	0	41	-1.0	-52.14	331.17	5.77	-46.37
CC1=CC=C(Br)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610360	0	37	-1.0	-50.25	323.11	6.69	-43.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007610361	0	38	-1.0	-54.09	326.85	5.61	-48.48
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007610362	0	40	-1.0	-56.88	345.48	2.68	-54.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007610363	0	38	-1.0	-50.03	330.78	4.96	-45.07
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1OC	REAL300007610364	0	45	-1.0	-48.05	351.96	4.97	-43.08
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610365	0	37	-1.0	-47.30	312.03	6.19	-41.11
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	REAL300007610366	0	45	-1.0	-50.88	345.43	5.72	-45.16
CC1=NN(C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610367	0	40	-1.0	-53.71	321.61	4.17	-49.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007610368	0	50	-1.0	-50.17	389.74	9.06	-41.11
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007610369	0	40	-1.0	-49.70	329.27	4.32	-45.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007610370	0	34	-1.0	-53.49	297.52	5.67	-47.82
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007610371	0	34	-1.0	-51.28	309.12	5.88	-45.40
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610372	0	39	-1.0	-48.60	302.40	6.58	-42.02
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007610373	0	40	-1.0	-50.88	349.26	7.30	-43.58
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007610374	0	44	-1.0	-60.45	369.66	1.88	-58.57
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610375	0	45	-1.0	-53.90	367.23	6.99	-46.91
CC1=CC(F)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610376	0	37	-1.0	-51.53	315.68	5.98	-45.55
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007610377	0	40	-1.0	-51.06	333.56	5.77	-45.29
COCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610378	0	41	-1.0	-49.76	339.86	4.89	-44.87
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007610379	0	40	-1.0	-48.33	336.89	2.86	-45.47
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007610380	0	43	-1.0	-60.89	369.81	3.37	-57.52
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007610381	0	39	-1.0	-59.83	333.55	1.21	-58.62
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1C	REAL300007610382	0	44	-1.0	-48.83	339.04	5.72	-43.11
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007610383	0	39	-1.0	-51.25	342.10	5.80	-45.45
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007610384	0	37	-1.0	-51.75	332.33	6.63	-45.12
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007610385	0	39	-1.0	-54.09	325.72	5.55	-48.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007610386	0	44	-1.0	-56.45	358.10	0.81	-55.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)C1CCOCC1	REAL300007610387	0	43	-1.0	-49.91	336.22	3.31	-46.60
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300007610388	0	43	-1.0	-53.25	353.43	6.42	-46.83
CCN1N=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1C	REAL300007610389	0	43	-1.0	-49.31	344.31	5.08	-44.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300007610390	0	40	-1.0	-49.53	332.62	4.34	-45.19
CC(C)CN1C=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610391	0	43	-1.0	-53.34	352.38	6.50	-46.84
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300007610392	0	40	-1.0	-52.78	333.28	5.64	-47.14
CC(C)C1=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CN1	REAL300007610393	0	40	-1.0	-56.82	331.82	3.67	-53.15
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007610394	0	46	-1.0	-50.70	338.68	8.07	-42.63
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007610395	0	42	-1.0	-52.38	350.84	4.57	-47.81
COC1=CC(Cl)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1OC	REAL300007610396	0	42	-1.0	-48.98	347.57	4.55	-44.43
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Br	REAL300007610397	0	37	-1.0	-46.00	324.29	6.35	-39.65
CC1=C(F)C=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610398	0	37	-1.0	-47.53	297.85	5.84	-41.69
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007610399	0	40	-1.0	-51.35	341.17	8.10	-43.25
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007610400	0	39	-1.0	-48.78	340.70	7.22	-41.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007610401	0	38	-1.0	-51.81	333.30	4.90	-46.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007610402	0	41	-1.0	-52.30	346.78	6.89	-45.41
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610403	0	49	-1.0	-53.35	383.27	6.59	-46.76
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007610404	0	37	-1.0	-49.27	316.97	6.02	-43.25
COCC1=CC=C(OC)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610405	0	45	-1.0	-55.30	364.84	4.83	-50.47
COC1=CC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1OC	REAL300007613001	0	44	-1.0	-59.64	339.61	5.92	-53.72
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613002	0	36	-1.0	-38.07	288.98	5.56	-32.51
CN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613003	0	33	-1.0	-59.53	283.08	4.14	-55.39
CN(C1CCCCC1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613004	0	44	-1.0	-61.18	331.95	7.10	-54.08
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613005	0	39	-1.0	-60.45	312.77	5.29	-55.16
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007613006	0	49	-1.0	-59.31	380.61	10.36	-48.95
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007613007	0	39	-1.0	-61.24	323.10	5.81	-55.43
CCC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613008	0	39	-1.0	-60.13	321.68	8.00	-52.13
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007613009	0	33	-1.0	-60.46	286.82	6.82	-53.64
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007613010	0	33	-1.0	-58.51	298.25	7.14	-51.37
CC1=NNC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613011	0	33	-1.0	-47.07	279.43	2.28	-44.79
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613012	0	38	-1.0	-56.10	291.74	7.46	-48.64
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007613013	0	39	-1.0	-48.40	341.95	8.13	-40.27
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613014	0	43	-1.0	-58.67	363.92	2.64	-56.03
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613015	0	44	-1.0	-59.92	361.25	8.38	-51.54
CC1=CC(F)=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613016	0	36	-1.0	-55.33	305.20	6.99	-48.34
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007613017	0	39	-1.0	-60.44	324.04	7.12	-53.32
COCC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613018	0	40	-1.0	-61.31	333.71	6.37	-54.94
CCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613019	0	39	-1.0	-56.07	327.62	4.26	-51.81
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613020	0	42	-1.0	-74.24	363.82	4.76	-69.48
CS(=O)(=O)CCCS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613021	0	38	-1.0	-62.70	328.95	2.14	-60.56
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1C	REAL300007613022	0	43	-1.0	-58.12	326.47	6.66	-51.46
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007613023	0	36	-1.0	-61.33	321.99	7.83	-53.50
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007613024	0	38	-1.0	-60.72	319.28	6.93	-53.79
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=NOC=C1	REAL300007613025	0	32	-1.0	-54.83	274.24	3.91	-50.92
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=NN1C	REAL300007613026	0	36	-1.0	-61.88	294.88	4.53	-57.35
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300007613027	0	43	-1.0	-61.77	350.65	2.17	-59.60
CN(C1CCOCC1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613028	0	42	-1.0	-59.44	317.72	4.56	-54.88
O=C([O-])CC1CSCCN1S(=O)(=O)N1CC2CCC1C2	REAL300007613029	0	39	-1.0	-61.90	296.60	5.89	-56.01
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007613030	0	42	-1.0	-51.34	334.15	5.44	-45.90
CCN1N=C(C)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1C	REAL300007613031	0	42	-1.0	-59.66	335.46	6.32	-53.34
CC(C)N1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613032	0	39	-1.0	-58.79	323.29	5.52	-53.27
CC(C)CN1C=NC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613033	0	42	-1.0	-66.78	343.97	7.49	-59.29
CC(C)N1C=NC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613034	0	39	-1.0	-65.83	324.88	6.90	-58.93
CC(C)C1=NC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CN1	REAL300007613035	0	39	-1.0	-68.01	323.21	5.06	-62.95
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613036	0	45	-1.0	-52.44	333.69	8.53	-43.91
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613037	0	41	-1.0	-70.86	343.32	5.74	-65.12
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CCCOC1	REAL300007613038	0	40	-1.0	-50.95	313.34	4.82	-46.13
COC1=CC(Cl)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1OC	REAL300007613039	0	41	-1.0	-55.98	340.24	5.65	-50.33
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1Br	REAL300007613040	0	36	-1.0	-58.50	318.12	7.85	-50.65
CC1=C(F)C=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613041	0	36	-1.0	-53.86	286.63	6.77	-47.09
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007613042	0	39	-1.0	-58.73	327.31	8.91	-49.82
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007613043	0	37	-1.0	-58.31	324.00	6.29	-52.02
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007613044	0	40	-1.0	-60.71	339.87	8.03	-52.68
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613045	0	48	-1.0	-58.96	374.61	7.85	-51.11
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007613046	0	36	-1.0	-58.53	310.83	7.51	-51.02
COCC1=CC=C(OC)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613047	0	44	-1.0	-67.61	358.30	6.04	-61.57
COCCC(C)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613048	0	39	-1.0	-64.03	302.90	4.63	-59.40
COC1=CC=C(F)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613049	0	37	-1.0	-63.73	310.83	6.14	-57.59
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613050	0	44	-1.0	-64.99	357.37	6.79	-58.20
O=C([O-])CC1CSCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007613051	0	51	-1.0	-58.35	364.64	7.94	-50.41
CC1=NC2=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=CC=C2C=C1	REAL300007613052	0	41	-1.0	-69.23	335.55	7.72	-61.51
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007613053	0	41	-1.0	-48.76	341.13	7.89	-40.87
CCN(CC1CC1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613054	0	41	-1.0	-60.14	325.24	6.43	-53.71
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007613055	0	44	-1.0	-59.10	356.24	5.22	-53.88
CCCN1C=NC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613056	0	39	-1.0	-66.66	326.76	7.27	-59.39
COCCOCCOCCS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613057	0	47	-1.0	-52.42	388.45	3.44	-48.98
O=C([O-])CC1CSCCN1S(=O)(=O)CCOCC1CC1	REAL300007613058	0	40	-1.0	-46.36	327.25	5.31	-41.05
CC(COC1CCCC1)CS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613059	0	49	-1.0	-47.21	376.76	7.40	-39.81
COCC(C)CS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613060	0	39	-1.0	-51.74	314.46	4.41	-47.33
CCOCC(C)CS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613061	0	42	-1.0	-51.91	336.31	5.38	-46.53
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613062	0	40	-1.0	-56.83	345.94	6.57	-50.26
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007613063	0	41	-1.0	-58.38	337.09	4.42	-53.96
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007613064	0	37	-1.0	-60.31	319.67	6.68	-53.63
COC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007613065	0	39	-1.0	-55.07	334.07	7.39	-47.68
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613066	0	39	-1.0	-37.31	310.98	6.04	-31.27
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613067	0	39	-1.0	-60.97	320.33	7.72	-53.25
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC=C1C(F)(F)F	REAL300007613068	0	39	-1.0	-55.66	332.97	8.16	-47.50
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613069	0	42	-1.0	-52.39	329.04	7.98	-44.41
O=C([O-])CC1CSCCN1S(=O)(=O)CCCN1CCOCC1	REAL300007613070	0	45	-1.0	-51.18	353.65	3.09	-48.09
CCOC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613071	0	40	-1.0	-62.40	329.90	6.87	-55.53
COCCN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613072	0	40	-1.0	-58.54	338.84	4.29	-54.25
CC(C)(C)CCS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613073	0	41	-1.0	-50.09	320.54	6.32	-43.77
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007613074	0	40	-1.0	-63.31	343.19	7.10	-56.21
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007613075	0	41	-1.0	-45.00	349.68	8.18	-36.82
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007613076	0	38	-1.0	-59.64	319.80	7.01	-52.63
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007613077	0	36	-1.0	-53.79	325.02	7.44	-46.35
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007613078	0	36	-1.0	-61.19	317.53	7.74	-53.45
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007613079	0	40	-1.0	-75.70	343.18	4.53	-71.17
CC1CCN(S(=O)(=O)N2CCSCC2CC(=O)[O-])C1	REAL300007613080	0	38	-1.0	-58.09	301.60	5.15	-52.94
CC1=CC(Br)=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613081	0	36	-1.0	-55.33	320.09	7.54	-47.79
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613082	0	36	-1.0	-54.10	299.53	7.26	-46.84
COCC1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613083	0	40	-1.0	-40.66	303.65	4.35	-36.31
COC1=CC(OC)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1Cl	REAL300007613084	0	41	-1.0	-63.89	348.72	6.19	-57.70
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007613085	0	36	-1.0	-61.70	322.48	5.51	-56.19
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007613086	0	36	-1.0	-60.67	317.02	5.57	-55.10
CC1(C)CC2=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=CC=C2O1	REAL300007613087	0	44	-1.0	-59.32	354.40	7.76	-51.56
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007613088	0	36	-1.0	-60.48	317.88	5.48	-55.00
CSC1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613089	0	37	-1.0	-64.45	307.90	7.21	-57.24
CCC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613090	0	39	-1.0	-61.39	321.42	8.08	-53.31
CCC1=CC=C(CS(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613091	0	42	-1.0	-63.28	343.60	8.64	-54.64
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1=CC=CS1	REAL300007613092	0	36	-1.0	-47.36	311.68	6.59	-40.77
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613093	0	42	-1.0	-70.28	360.73	5.07	-65.21
CC1=CC=C(CS(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C	REAL300007613094	0	42	-1.0	-54.59	342.14	8.03	-46.56
CC(C)CN(C)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613095	0	40	-1.0	-60.57	315.51	6.00	-54.57
CN(C1CCCC1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613096	0	41	-1.0	-59.74	310.79	6.45	-53.29
CC1(C)CN(S(=O)(=O)N2CCSCC2CC(=O)[O-])CCO1	REAL300007613097	0	42	-1.0	-57.52	323.64	4.56	-52.96
CC1=NOC(CS(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613098	0	35	-1.0	-42.21	296.18	4.80	-37.41
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=CC=C21	REAL300007613099	0	45	-1.0	-60.32	369.26	8.18	-52.14
CCS(=O)(=O)NCCS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613100	0	40	-1.0	-50.40	343.82	0.86	-49.54
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007613101	0	39	-1.0	-57.08	330.29	7.61	-49.47
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007613102	0	36	-1.0	-56.44	333.37	8.16	-48.28
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007613103	0	36	-1.0	-55.27	323.53	7.84	-47.43
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007613104	0	39	-1.0	-64.66	329.58	8.95	-55.71
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1CCCO1	REAL300007613105	0	40	-1.0	-45.15	317.33	4.76	-40.39
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007613106	0	39	-1.0	-62.23	339.77	8.34	-53.89
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007613107	0	44	-1.0	-47.94	357.35	7.36	-40.58
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007613108	0	42	-1.0	-61.00	345.03	9.42	-51.58
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1N(C)C	REAL300007613109	0	44	-1.0	-60.17	353.16	7.30	-52.87
O=C([O-])CC1CSCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007613110	0	38	-1.0	-64.33	316.33	3.43	-60.90
O=C([O-])CC1CSCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007613111	0	46	-1.0	-50.04	364.71	6.58	-43.46
COC1=CC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1Cl	REAL300007613112	0	40	-1.0	-60.49	332.40	7.03	-53.46
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613113	0	42	-1.0	-67.72	364.42	4.34	-63.38
CSC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1Cl	REAL300007613114	0	37	-1.0	-58.55	333.73	8.11	-50.44
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613115	0	45	-1.0	-59.94	353.84	6.86	-53.08
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007613116	0	41	-1.0	-56.81	348.54	4.79	-52.02
CCC1=NOC2=NC=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=C12	REAL300007613117	0	40	-1.0	-54.88	339.15	4.08	-50.80
CN1N=CC2=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=CN=C21	REAL300007613118	0	38	-1.0	-58.39	321.74	5.35	-53.04
CCC1=CC(CC)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(CC)=C1	REAL300007613119	0	51	-1.0	-59.22	370.45	10.80	-48.42
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007613120	0	40	-1.0	-68.92	324.79	6.72	-62.20
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007613121	0	42	-1.0	-49.33	340.13	9.26	-40.07
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1F	REAL300007613122	0	40	-1.0	-53.21	315.84	6.09	-47.12
CC1(CS(=O)(=O)N2CCSCC2CC(=O)[O-])CCCCC1	REAL300007613123	0	45	-1.0	-50.00	328.72	7.56	-42.44
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007613124	0	42	-1.0	-61.57	339.27	8.00	-53.57
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613125	0	51	0.0	-85.40	392.72	7.61	-77.79
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007613126	0	41	-1.0	-55.80	348.38	7.81	-47.99
CN1N=NC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613127	0	32	-1.0	-41.50	260.79	1.80	-39.70
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613128	0	40	-1.0	-57.29	349.19	6.49	-50.80
CC1=CC=C(CS(=O)(=O)N2CCSCC2CC(=O)[O-])C(F)=C1	REAL300007613129	0	39	-1.0	-58.64	329.34	7.52	-51.12
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613130	0	45	0.0	-90.87	357.15	8.46	-82.41
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007613131	0	33	-1.0	-54.75	310.26	6.40	-48.35
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007613132	0	46	-1.0	-46.17	364.95	9.30	-36.87
CC(C)(C)C1=CC(CS(=O)(=O)N2CCSCC2CC(=O)[O-])=NO1	REAL300007613133	0	44	-1.0	-65.64	358.82	7.23	-58.41
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1CCC1	REAL300007613134	0	39	-1.0	-45.39	309.77	6.57	-38.82
CC(C)(C)CCCS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613135	0	44	-1.0	-50.05	342.04	7.06	-42.99
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007613136	0	42	-1.0	-60.44	340.87	3.28	-57.16
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007613137	0	36	-1.0	-56.19	314.61	6.93	-49.26
CC1=C(CCS(=O)(=O)N2CCSCC2CC(=O)[O-])SC=N1	REAL300007613138	0	38	-1.0	-45.94	325.43	5.25	-40.69
COCC1(S(=O)(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300007613139	0	37	-1.0	-53.80	292.90	5.84	-47.96
O=C([O-])CC1CSCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007613140	0	43	-1.0	-52.36	328.81	7.48	-44.88
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CC(F)(F)C1	REAL300007613141	0	36	-1.0	-63.42	302.28	6.45	-56.97
COC1=CC=C2C=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])CCC2=C1	REAL300007613142	0	45	-1.0	-60.52	361.14	8.13	-52.39
O=C([O-])CC1CSCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007613143	0	46	-1.0	-51.93	336.30	8.07	-43.86
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1CCOC1	REAL300007613144	0	40	-1.0	-43.53	314.79	4.42	-39.11
CC(C)(CCS(=O)(=O)N1CCSCC1CC(=O)[O-])S(C)(=O)=O	REAL300007613145	0	44	-1.0	-71.22	353.21	3.24	-67.98
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007613146	0	42	-1.0	-48.14	328.08	7.22	-40.92
O=C([O-])CC1CSCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007613147	0	40	-1.0	-62.53	327.83	8.55	-53.98
CN1C=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=N1	REAL300007613148	0	33	-1.0	-64.19	283.41	3.99	-60.20
CCC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007613149	0	41	-1.0	-60.72	342.69	8.49	-52.23
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007613150	0	33	-1.0	-56.61	295.38	7.16	-49.45
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007613151	0	33	-1.0	-56.43	299.94	7.27	-49.16
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007613152	0	35	-1.0	-54.18	306.98	7.23	-46.95
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007613153	0	39	-1.0	-61.04	324.25	8.81	-52.23
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007613154	0	35	-1.0	-60.96	306.77	7.32	-53.64
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613155	0	38	-1.0	-67.24	309.83	7.40	-59.84
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613156	0	37	-1.0	-59.72	308.13	5.94	-53.78
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007613157	0	35	-1.0	-57.91	293.63	7.33	-50.58
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613158	0	36	-1.0	-60.79	300.06	7.32	-53.47
CCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613159	0	40	-1.0	-59.12	330.17	6.78	-52.34
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1C	REAL300007613160	0	45	-1.0	-60.18	333.44	8.95	-51.23
CC1=CC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1	REAL300007613161	0	42	-1.0	-59.76	324.60	8.34	-51.42
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613162	0	48	-1.0	-61.82	357.31	9.05	-52.77
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007613163	0	36	-1.0	-59.18	317.30	7.64	-51.54
CC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613164	0	36	-1.0	-61.32	299.96	7.31	-54.01
O=C([O-])CC1CSCCN1S(=O)(=O)C=CC1=CC=CC=C1	REAL300007613165	0	37	-1.0	-59.11	311.62	7.70	-51.41
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007613166	0	36	-1.0	-64.69	303.02	7.71	-56.98
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007613167	0	33	-1.0	-58.57	293.69	7.03	-51.54
CC(=O)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613168	0	38	-1.0	-61.32	321.51	7.03	-54.29
CC1=CC=C(C)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613169	0	39	-1.0	-60.50	303.01	7.39	-53.11
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C	REAL300007613170	0	39	-1.0	-61.30	316.96	7.85	-53.45
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1	REAL300007613171	0	39	-1.0	-41.83	293.67	5.71	-36.12
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007613172	0	39	-1.0	-61.94	334.06	7.39	-54.55
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613173	0	45	-1.0	-59.98	354.85	8.96	-51.02
CC(C)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613174	0	42	-1.0	-60.02	338.87	8.57	-51.45
CCCC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613175	0	42	-1.0	-60.28	343.04	8.86	-51.42
COC1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613176	0	37	-1.0	-65.00	304.65	6.08	-58.92
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC=C1	REAL300007613177	0	36	-1.0	-48.96	299.96	6.72	-42.24
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC=C1Br	REAL300007613178	0	36	-1.0	-56.72	318.05	7.83	-48.89
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007613179	0	37	-1.0	-56.09	324.63	6.43	-49.66
CC1=C(C)C(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1C	REAL300007613180	0	48	-1.0	-60.95	346.04	9.37	-51.58
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007613181	0	42	-1.0	-59.30	341.44	6.59	-52.71
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613182	0	49	-1.0	-65.96	379.43	8.63	-57.33
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007613183	0	38	-1.0	-59.99	321.72	7.54	-52.45
CC1=NNC(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613184	0	36	-1.0	-58.21	292.24	4.10	-54.11
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613185	0	51	-1.0	-59.01	379.40	10.00	-49.01
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007613186	0	36	-1.0	-55.82	317.38	7.64	-48.18
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007613187	0	43	-1.0	-61.11	341.34	9.14	-51.97
COC1=CC=C(OC)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613188	0	41	-1.0	-66.97	333.94	5.36	-61.61
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1OC	REAL300007613189	0	41	-1.0	-60.48	335.64	5.56	-54.92
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007613190	0	40	-1.0	-61.07	323.88	8.45	-52.62
CC1=NOC(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613191	0	35	-1.0	-50.56	284.03	4.89	-45.67
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007613192	0	41	-1.0	-60.45	331.99	8.90	-51.55
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007613193	0	38	-1.0	-58.33	313.30	6.11	-52.22
CC(C)CCC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613194	0	48	-1.0	-60.26	382.10	10.15	-50.11
CCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1OCC	REAL300007613195	0	47	-1.0	-60.06	381.05	7.70	-52.36
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613196	0	38	-1.0	-61.80	332.83	1.60	-60.20
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007613197	0	41	-1.0	-60.04	341.57	8.21	-51.83
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1C	REAL300007613198	0	41	-1.0	-64.99	327.63	7.99	-57.00
O=C([O-])CC1CSCCN1S(=O)(=O)N1CCCCCC1	REAL300007613199	0	41	-1.0	-62.11	309.71	6.60	-55.51
CC1=CC2=CC=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=C2N=C1	REAL300007613200	0	41	-1.0	-69.45	336.14	8.13	-61.32
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007613201	0	39	-1.0	-55.19	323.06	6.63	-48.56
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613202	0	37	-1.0	-59.86	321.33	6.60	-53.26
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613203	0	38	-1.0	-67.98	332.80	1.60	-66.38
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613204	0	41	-1.0	-62.00	341.02	7.89	-54.11
O=C([O-])CC1CSCCN1S(=O)(=O)N1CCCCC1	REAL300007613205	0	38	-1.0	-59.08	285.01	5.40	-53.68
O=C([O-])CC1CSCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007613206	0	42	-1.0	-59.49	334.21	7.52	-51.97
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=CC=CN=C12	REAL300007613207	0	41	-1.0	-61.14	327.09	7.45	-53.69
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C	REAL300007613208	0	41	-1.0	-57.16	331.61	8.58	-48.58
CC1CCN(S(=O)(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300007613209	0	41	-1.0	-60.52	316.92	6.37	-54.15
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007613210	0	45	-1.0	-67.91	364.51	5.79	-62.12
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613211	0	39	-1.0	-71.09	339.26	4.17	-66.92
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007613212	0	43	-1.0	-47.58	345.00	9.46	-38.12
CC1CC(C)CN(S(=O)(=O)N2CCSCC2CC(=O)[O-])C1	REAL300007613213	0	44	-1.0	-60.86	337.77	6.95	-53.91
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007613214	0	39	-1.0	-64.22	311.78	8.51	-55.71
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007613215	0	43	-1.0	-60.32	352.97	9.96	-50.36
CC1=CC=C(F)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613216	0	36	-1.0	-42.70	278.66	5.12	-37.58
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=CC=C12	REAL300007613217	0	47	-1.0	-61.43	365.16	8.37	-53.06
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007613218	0	34	-1.0	-62.45	302.19	4.71	-57.74
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613219	0	37	-1.0	-63.66	319.96	6.84	-56.82
COC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613220	0	37	-1.0	-62.42	308.05	5.95	-56.47
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613221	0	48	-1.0	-59.52	369.22	9.35	-50.17
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1Cl	REAL300007613222	0	36	-1.0	-58.45	314.08	7.77	-50.68
CC(C)OC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613223	0	43	-1.0	-59.17	347.84	7.50	-51.67
CCC1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613224	0	39	-1.0	-46.79	303.10	7.34	-39.45
CC1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613225	0	36	-1.0	-59.70	281.60	6.72	-52.98
CC1=NC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CN1C	REAL300007613226	0	36	-1.0	-66.76	302.07	5.30	-61.46
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007613227	0	36	-1.0	-54.01	320.45	7.34	-46.67
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007613228	0	34	-1.0	-45.50	295.94	4.08	-41.42
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007613229	0	38	-1.0	-70.20	314.74	7.49	-62.71
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613230	0	39	-1.0	-56.68	332.83	6.75	-49.93
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1F	REAL300007613231	0	37	-1.0	-59.36	314.33	6.02	-53.34
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1F	REAL300007613232	0	36	-1.0	-58.51	305.34	7.36	-51.15
CC1=CC=C(CS(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613233	0	39	-1.0	-49.31	321.37	7.40	-41.91
CN1C=NC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613234	0	33	-1.0	-61.01	281.55	5.28	-55.73
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CN=C1	REAL300007613235	0	32	-1.0	-59.06	272.37	4.43	-54.63
CC1CCCCN1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613236	0	41	-1.0	-61.77	306.72	6.63	-55.14
CCCN(CCC)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613237	0	43	-1.0	-58.42	332.29	6.35	-52.07
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007613238	0	36	-1.0	-46.48	335.64	7.80	-38.68
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=CC=CC=C12	REAL300007613239	0	43	-1.0	-62.65	341.26	7.83	-54.82
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613240	0	38	-1.0	-37.09	300.47	5.71	-31.38
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613241	0	38	-1.0	-56.73	308.95	7.80	-48.93
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613242	0	41	-1.0	-66.02	325.21	7.74	-58.28
CC(C)CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613243	0	45	-1.0	-60.15	359.99	9.24	-50.91
COCCC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613244	0	43	-1.0	-60.12	355.21	7.15	-52.97
COCCN(CCOC)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613245	0	45	-1.0	-58.26	350.79	3.57	-54.69
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613246	0	36	-1.0	-59.79	298.32	7.24	-52.55
COC1=C(C)C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C	REAL300007613247	0	43	-1.0	-57.42	350.96	7.14	-50.28
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613248	0	49	-1.0	-58.47	390.68	8.87	-49.60
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007613249	0	47	-1.0	-59.01	378.08	8.54	-50.47
CC(C)COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613250	0	46	-1.0	-58.72	371.77	8.28	-50.44
CCCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613251	0	43	-1.0	-58.82	351.67	7.58	-51.24
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1Cl	REAL300007613252	0	37	-1.0	-59.06	324.05	6.49	-52.57
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C	REAL300007613253	0	40	-1.0	-60.08	328.18	6.69	-53.39
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC=C1OC(C)C	REAL300007613254	0	46	-1.0	-59.35	367.79	8.24	-51.11
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1	REAL300007613255	0	40	-1.0	-41.44	301.69	4.35	-37.09
COCCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613256	0	44	-1.0	-61.49	363.74	6.04	-55.45
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007613257	0	36	-1.0	-63.78	306.01	7.23	-56.55
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613258	0	36	-1.0	-38.02	293.55	5.66	-32.36
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1C	REAL300007613259	0	41	-1.0	-64.57	317.21	8.75	-55.82
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613260	0	42	-1.0	-71.13	342.30	4.24	-66.89
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613261	0	41	-1.0	-60.84	355.41	2.73	-58.11
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613262	0	41	-1.0	-57.51	336.65	3.73	-53.78
CC1=NC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])S1	REAL300007613263	0	35	-1.0	-47.44	307.45	3.89	-43.55
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007613264	0	36	-1.0	-59.58	311.94	7.68	-51.90
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CCCC1	REAL300007613265	0	39	-1.0	-46.23	303.17	6.43	-39.80
COC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC=C1F	REAL300007613266	0	37	-1.0	-56.56	314.27	6.01	-50.55
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CSC=C1	REAL300007613267	0	30	-1.0	-57.68	268.40	5.12	-52.56
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007613268	0	43	-1.0	-59.28	351.75	9.71	-49.57
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007613269	0	36	-1.0	-48.75	337.19	7.84	-40.91
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CCCCC1	REAL300007613270	0	42	-1.0	-46.68	318.90	7.13	-39.55
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613271	0	41	-1.0	-68.57	337.36	7.83	-60.74
CNC(=O)C1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CN1C	REAL300007613272	0	41	-1.0	-59.23	341.66	3.83	-55.40
COC1=CC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1	REAL300007613273	0	43	-1.0	-58.87	332.78	7.03	-51.84
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007613274	0	44	-1.0	-60.75	362.57	10.67	-50.08
COC1=CC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C	REAL300007613275	0	43	-1.0	-59.65	330.52	6.78	-52.87
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007613276	0	41	-1.0	-60.16	322.58	7.38	-52.78
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007613277	0	38	-1.0	-60.30	304.47	6.35	-53.95
CCN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007613278	0	38	-1.0	-61.31	322.98	6.72	-54.59
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007613279	0	40	-1.0	-60.40	349.74	7.25	-53.15
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613280	0	41	-1.0	-69.13	340.03	7.79	-61.34
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007613281	0	43	-1.0	-61.00	365.12	8.25	-52.75
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007613282	0	36	-1.0	-76.84	301.37	5.47	-71.37
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613283	0	55	-1.0	-59.15	411.71	8.99	-50.16
CC1=CC=CC(CS(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613284	0	39	-1.0	-54.05	325.12	7.49	-46.56
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613285	0	41	-1.0	-65.79	356.40	3.23	-62.56
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007613286	0	36	-1.0	-55.84	310.13	6.90	-48.94
CC1=CC=CC=C1CS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613287	0	39	-1.0	-62.82	316.38	7.77	-55.05
CCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=CC=CC=C12	REAL300007613288	0	46	-1.0	-62.22	361.93	8.78	-53.44
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613289	0	43	-1.0	-65.91	346.50	7.91	-58.00
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007613290	0	38	-1.0	-72.57	326.69	6.70	-65.87
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007613291	0	40	-1.0	-59.19	339.55	7.80	-51.39
CCOCCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613292	0	47	-1.0	-61.41	385.60	7.01	-54.40
CCCCCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613293	0	49	-1.0	-58.51	394.67	9.14	-49.37
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007613294	0	43	-1.0	-59.90	324.48	8.32	-51.58
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007613295	0	39	-1.0	-61.68	325.30	8.21	-53.47
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007613296	0	38	-1.0	-59.10	313.35	5.56	-53.54
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007613297	0	41	-1.0	-69.27	340.59	7.74	-61.53
O=C([O-])CC1CSCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007613298	0	39	-1.0	-70.52	313.55	2.41	-68.11
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007613299	0	38	-1.0	-62.38	325.24	6.69	-55.69
CCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1	REAL300007613300	0	43	-1.0	-59.45	338.23	7.40	-52.05
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613301	0	41	-1.0	-67.90	355.17	2.82	-65.08
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007613302	0	37	-1.0	-62.24	314.23	6.33	-55.91
CSC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613303	0	37	-1.0	-59.17	318.83	7.67	-51.50
CCCCCCCS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613304	0	44	-1.0	-49.66	351.30	7.72	-41.94
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007613305	0	39	-1.0	-63.09	339.44	8.19	-54.90
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613306	0	44	-1.0	-62.68	344.30	8.08	-54.60
CCN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])N=C1C	REAL300007613307	0	39	-1.0	-66.01	324.14	6.20	-59.81
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007613308	0	39	-1.0	-64.45	317.95	6.02	-58.43
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007613309	0	38	-1.0	-60.63	308.02	6.57	-54.06
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CCCO1	REAL300007613310	0	37	-1.0	-50.93	295.65	4.22	-46.71
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CCCCO1	REAL300007613311	0	40	-1.0	-50.61	313.68	5.11	-45.50
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C(F)(F)F	REAL300007613312	0	39	-1.0	-58.30	332.98	8.17	-50.13
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007613313	0	42	-1.0	-60.14	343.43	8.25	-51.89
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=C12	REAL300007613314	0	41	-1.0	-57.98	343.69	5.96	-52.02
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613315	0	40	-1.0	-50.33	347.52	6.69	-43.64
COCC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613316	0	40	-1.0	-63.20	333.60	6.37	-56.83
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=C2O1	REAL300007613317	0	44	-1.0	-66.14	355.92	7.71	-58.43
CCN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613318	0	36	-1.0	-59.51	304.61	5.01	-54.50
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007613319	0	36	-1.0	-61.79	314.29	7.65	-54.14
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007613320	0	40	-1.0	-61.63	346.70	7.00	-54.63
CC(C1CC1)N(C)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613321	0	41	-1.0	-61.79	316.53	6.61	-55.18
CN1N=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613322	0	33	-1.0	-54.60	274.45	3.85	-50.75
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007613323	0	36	-1.0	-58.45	329.52	7.80	-50.65
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CCOC1	REAL300007613324	0	37	-1.0	-50.69	296.74	3.90	-46.79
CC1CC2=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=CC=C2O1	REAL300007613325	0	41	-1.0	-59.18	335.62	7.27	-51.91
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613326	0	45	-1.0	-36.41	310.85	7.15	-29.26
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007613327	0	39	-1.0	-61.83	344.59	7.13	-54.70
COCCN(C)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613328	0	38	-1.0	-57.28	294.31	3.55	-53.73
CN(CC1CC1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613329	0	38	-1.0	-57.79	306.20	5.67	-52.12
CC1=NC(C2=CC=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=C2)=CO1	REAL300007613330	0	42	-1.0	-63.21	355.16	5.61	-57.60
CN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C(F)(F)F)=N1	REAL300007613331	0	36	-1.0	-36.48	294.44	2.87	-33.61
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C(C)O1	REAL300007613332	0	36	-1.0	-60.68	296.90	6.08	-54.60
CC1=CSC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613333	0	33	-1.0	-48.91	291.70	4.93	-43.98
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007613334	0	36	-1.0	-59.73	308.20	6.86	-52.87
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007613335	0	36	-1.0	-57.95	304.59	5.31	-52.64
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613336	0	36	-1.0	-54.55	304.52	2.94	-51.61
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=C2CCCN12	REAL300007613337	0	37	-1.0	-61.57	305.90	5.92	-55.65
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])SC=C1	REAL300007613338	0	33	-1.0	-59.96	282.46	6.33	-53.63
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007613339	0	41	-1.0	-60.13	331.59	7.04	-53.09
O=C([O-])CC1CSCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007613340	0	40	-1.0	-58.97	322.90	8.04	-50.93
CC1=CC=C(N2C=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=N2)C=C1	REAL300007613341	0	43	-1.0	-58.63	360.50	8.23	-50.40
CC1CC2=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=CC(Cl)=C2O1	REAL300007613342	0	41	-1.0	-57.87	351.70	7.52	-50.35
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007613343	0	38	-1.0	-54.01	321.69	7.53	-46.48
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613344	0	44	-1.0	-62.57	366.72	7.44	-55.13
CC1=NN(C)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613345	0	36	-1.0	-59.08	298.15	4.68	-54.40
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])O1	REAL300007613346	0	33	-1.0	-59.54	283.76	5.20	-54.34
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])N(C)N=C1	REAL300007613347	0	36	-1.0	-54.61	293.38	4.84	-49.77
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007613348	0	35	-1.0	-58.10	310.58	6.11	-51.99
CN(C)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613349	0	41	-1.0	-62.33	331.14	7.07	-55.26
CC1=CC2=CC=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=C2C=C1	REAL300007613350	0	42	-1.0	-60.88	345.60	9.47	-51.41
COC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])SC=C1	REAL300007613351	0	34	-1.0	-62.62	297.71	5.25	-57.37
CN(C)C1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613352	0	41	-1.0	-62.55	330.84	7.06	-55.49
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007613353	0	38	-1.0	-65.32	313.60	6.22	-59.10
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007613354	0	38	-1.0	-45.22	318.80	5.85	-39.37
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007613355	0	38	-1.0	-63.02	313.20	6.10	-56.92
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007613356	0	39	-1.0	-45.00	338.19	8.03	-36.97
CN1CCCC2=CC=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=C21	REAL300007613357	0	45	-1.0	-61.49	352.73	7.21	-54.28
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007613358	0	35	-1.0	-51.74	312.84	5.57	-46.17
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613359	0	41	-1.0	-69.37	331.56	6.63	-62.74
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613360	0	41	-1.0	-35.05	316.01	6.19	-28.86
CC1=CC=C(C)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1[N+](=O)[O-]	REAL300007613361	0	41	-1.0	-73.77	330.75	9.36	-64.41
CC1=CC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007613362	0	41	-1.0	-67.99	325.04	7.91	-60.08
COC1=CC=C(CCS(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613363	0	43	-1.0	-48.24	350.96	6.81	-41.43
COC1=CN=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613364	0	36	-1.0	-58.29	303.23	4.12	-54.17
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])S1	REAL300007613365	0	42	-1.0	-50.30	351.12	6.90	-43.40
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007613366	0	40	-1.0	-60.14	327.86	8.75	-51.39
COC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC(OC)=C1	REAL300007613367	0	41	-1.0	-60.91	336.37	4.86	-56.05
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1CCCCC1	REAL300007613368	0	45	-1.0	-45.73	342.24	7.68	-38.05
CC1=CC=C(CCS(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613369	0	42	-1.0	-60.85	343.60	8.67	-52.18
CC1=CC2=C(C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-])OCO2	REAL300007613370	0	39	-1.0	-59.95	312.85	5.84	-54.11
O=C([O-])CC1CSCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007613371	0	36	-1.0	-64.51	306.11	6.71	-57.80
COC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC=C1Cl	REAL300007613372	0	37	-1.0	-56.60	324.07	6.51	-50.09
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1CCCC1	REAL300007613373	0	42	-1.0	-45.44	325.75	7.10	-38.34
CN1C=NC2=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=CC=C21	REAL300007613374	0	39	-1.0	-62.73	325.64	7.62	-55.11
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007613375	0	41	-1.0	-70.72	328.49	7.99	-62.73
CC1=NC2=CC=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=C2O1	REAL300007613376	0	38	-1.0	-59.46	322.18	4.32	-55.14
CCC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1CC	REAL300007613377	0	45	-1.0	-61.06	355.68	9.22	-51.84
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613378	0	41	-1.0	-52.77	331.42	8.34	-44.43
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613379	0	43	-1.0	-64.24	336.97	7.95	-56.29
CC1=C(C)SC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613380	0	36	-1.0	-59.99	310.66	6.83	-53.16
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613381	0	34	-1.0	-54.93	296.97	4.42	-50.51
CC1=NC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])S1	REAL300007613382	0	32	-1.0	-55.49	286.27	4.06	-51.43
CCC1=NC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])S1	REAL300007613383	0	35	-1.0	-57.21	308.51	5.03	-52.18
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(N)=NO1	REAL300007613384	0	34	-1.0	-53.63	284.96	3.91	-49.72
CN(C)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613385	0	40	-1.0	-57.83	326.11	6.07	-51.76
CC1=CC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])S1	REAL300007613386	0	36	-1.0	-59.61	304.99	7.05	-52.56
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007613387	0	39	-1.0	-59.00	326.02	7.26	-51.74
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007613388	0	36	-1.0	-61.62	305.31	5.12	-56.50
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC(C)=C1F	REAL300007613389	0	39	-1.0	-55.35	324.40	7.60	-47.75
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007613390	0	40	-1.0	-67.73	333.38	6.00	-61.73
O=C([O-])CC1CSCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007613391	0	46	-1.0	-53.14	380.75	7.68	-45.46
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007613392	0	37	-1.0	-66.47	311.48	6.34	-60.13
O=C([O-])CC1CSCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007613393	0	35	-1.0	-50.94	311.38	4.74	-46.20
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613394	0	35	-1.0	-56.11	293.95	5.08	-51.03
CC1=NC(CS(=O)(=O)N2CCSCC2CC(=O)[O-])=CS1	REAL300007613395	0	35	-1.0	-53.22	305.84	4.32	-48.90
COC(CS(=O)(=O)N1CCSCC1CC(=O)[O-])C1CC1	REAL300007613396	0	40	-1.0	-52.36	318.45	5.38	-46.98
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007613397	0	36	-1.0	-61.41	317.43	7.72	-53.69
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC=C1Cl	REAL300007613398	0	36	-1.0	-56.78	314.02	7.75	-49.03
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007613399	0	39	-1.0	-69.31	324.98	7.32	-61.99
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=C2)=N1	REAL300007613400	0	42	-1.0	-59.17	365.00	8.02	-51.15
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007613401	0	41	-1.0	-66.02	328.48	7.54	-58.48
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007613402	0	40	-1.0	-65.81	342.50	4.13	-61.68
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007613403	0	42	-1.0	-60.32	337.86	6.61	-53.71
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007613404	0	36	-1.0	-58.53	323.51	7.43	-51.10
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613405	0	46	-1.0	-62.43	368.53	8.32	-54.11
COC(CS(=O)(=O)N1CCSCC1CC(=O)[O-])C1CCCC1	REAL300007613406	0	46	-1.0	-49.32	350.23	6.05	-43.27
COC(CS(=O)(=O)N1CCSCC1CC(=O)[O-])C1CCCCC1	REAL300007613407	0	49	-1.0	-49.50	368.74	6.91	-42.59
CC1(C)CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])CO1	REAL300007613408	0	40	-1.0	-59.75	312.22	4.86	-54.89
CCOC(CS(=O)(=O)N1CCSCC1CC(=O)[O-])C1CC1	REAL300007613409	0	43	-1.0	-63.55	339.84	6.79	-56.76
CCC1=NC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CN1CC1CC1	REAL300007613410	0	46	-1.0	-65.37	377.23	8.37	-57.00
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007613411	0	36	-1.0	-47.17	317.97	4.76	-42.41
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007613412	0	41	-1.0	-51.10	330.07	8.28	-42.82
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613413	0	40	-1.0	-55.35	322.00	6.30	-49.05
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007613414	0	46	-1.0	-56.22	371.82	8.48	-47.74
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613415	0	36	-1.0	-50.97	319.56	5.13	-45.84
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007613416	0	43	-1.0	-65.29	337.96	9.56	-55.73
CCC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C(C)C=C1OC	REAL300007613417	0	46	-1.0	-41.40	338.86	5.69	-35.71
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=N1	REAL300007613418	0	35	-1.0	-67.92	304.67	5.33	-62.59
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007613419	0	42	-1.0	-63.95	326.64	9.42	-54.53
CC(C)OC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613420	0	42	-1.0	-56.32	347.74	5.18	-51.14
COC1=C(F)C=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613421	0	37	-1.0	-57.90	302.42	6.16	-51.74
CCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C(C)C	REAL300007613422	0	49	-1.0	-59.98	388.00	8.63	-51.35
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1F	REAL300007613423	0	45	-1.0	-57.83	356.84	8.91	-48.92
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007613424	0	52	-1.0	-62.82	402.56	11.01	-51.81
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613425	0	43	-1.0	-55.55	335.36	6.38	-49.17
CN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C(C)(C)C)=N1	REAL300007613426	0	45	-1.0	-49.69	345.31	6.27	-43.42
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007613427	0	43	-1.0	-58.01	346.00	6.79	-51.22
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613428	0	36	-1.0	-52.88	303.66	4.86	-48.02
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613429	0	40	-1.0	-50.30	337.19	6.25	-44.05
C=CCCC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613430	0	43	-1.0	-60.35	355.85	9.42	-50.93
CCC1=NN(C)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613431	0	39	-1.0	-41.64	304.96	3.31	-38.33
O=C([O-])CC1CSCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007613432	0	37	-1.0	-58.40	328.36	8.22	-50.18
CCCOC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1CC	REAL300007613433	0	49	-1.0	-59.09	393.10	9.16	-49.93
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613434	0	39	-1.0	-55.51	319.96	8.20	-47.31
O=C([O-])CC1CSCCN1S(=O)(=O)CCCC1CC1	REAL300007613435	0	39	-1.0	-49.59	316.52	6.91	-42.68
O=C([O-])CC1CSCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007613436	0	37	-1.0	-61.44	325.63	8.11	-53.33
CCCC1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613437	0	42	-1.0	-46.31	324.25	8.24	-38.07
COC1=NC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613438	0	36	-1.0	-61.93	303.25	3.57	-58.36
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007613439	0	38	-1.0	-64.02	307.15	6.65	-57.37
CC1=NC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])N1C	REAL300007613440	0	36	-1.0	-58.42	294.13	5.25	-53.17
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=N1	REAL300007613441	0	32	-1.0	-63.44	273.69	4.52	-58.92
CC1=CSC(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613442	0	36	-1.0	-57.05	295.11	7.01	-50.04
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007613443	0	40	-1.0	-58.85	328.48	6.11	-52.74
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007613444	0	40	-1.0	-55.39	323.39	6.10	-49.29
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007613445	0	43	-1.0	-53.61	338.71	7.13	-46.48
CC1(C)COC2=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=NN2C1	REAL300007613446	0	44	-1.0	-64.10	353.70	4.46	-59.64
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007613447	0	39	-1.0	-58.30	345.33	7.36	-50.94
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007613448	0	40	-1.0	-58.80	316.68	6.40	-52.40
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C	REAL300007613449	0	49	-1.0	-60.43	364.88	7.89	-52.54
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613450	0	43	-1.0	-64.05	345.71	7.56	-56.49
CC1CC2=CC=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=C2O1	REAL300007613451	0	41	-1.0	-65.90	334.67	7.01	-58.89
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])S1	REAL300007613452	0	41	-1.0	-57.29	347.17	6.11	-51.18
O=C([O-])CC1CSCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007613453	0	39	-1.0	-63.98	330.47	6.96	-57.02
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613454	0	38	-1.0	-69.64	311.61	6.91	-62.73
CCN1N=NC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613455	0	35	-1.0	-53.59	291.49	3.50	-50.09
O=C([O-])CC1CSCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007613456	0	42	-1.0	-59.34	315.29	5.98	-53.36
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007613457	0	34	-1.0	-53.13	293.36	5.43	-47.70
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007613458	0	36	-1.0	-60.16	317.19	7.90	-52.26
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613459	0	40	-1.0	-54.41	326.89	6.30	-48.11
CC1=CC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1F	REAL300007613460	0	42	-1.0	-57.05	324.38	8.54	-48.51
COC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1OC	REAL300007613461	0	41	-1.0	-61.01	323.08	5.96	-55.05
O=C([O-])CC1CSCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007613462	0	36	-1.0	-60.57	304.38	6.39	-54.18
CN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C2CCCC2)=N1	REAL300007613463	0	46	-1.0	-59.98	358.41	7.07	-52.91
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613464	0	45	-1.0	-54.94	348.58	6.58	-48.36
CCCCN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=N1	REAL300007613465	0	45	-1.0	-58.71	361.61	6.99	-51.72
CN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C2CC2)=N1	REAL300007613466	0	40	-1.0	-60.32	330.86	6.29	-54.03
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007613467	0	37	-1.0	-60.39	318.08	6.14	-54.25
CN1N=NC2=C(S(=O)(=O)N3CCSCC3CC(=O)[O-])C=CC=C21	REAL300007613468	0	38	-1.0	-69.21	322.21	4.80	-64.41
CC1(C)CCCN(S(=O)(=O)N2CCSCC2CC(=O)[O-])C1	REAL300007613469	0	44	-1.0	-61.42	332.44	6.91	-54.51
CN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C2CCC2)=N1	REAL300007613470	0	43	-1.0	-59.96	340.08	6.54	-53.42
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613471	0	51	-1.0	-53.51	389.23	9.91	-43.60
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007613472	0	43	-1.0	-59.09	352.97	7.32	-51.77
O=C([O-])CC1CSCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007613473	0	37	-1.0	-65.60	307.71	7.05	-58.55
COC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007613474	0	42	-1.0	-76.19	342.59	7.65	-68.54
CCCC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613475	0	42	-1.0	-61.56	342.93	8.86	-52.70
CN1N=C2CCCC2=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613476	0	40	-1.0	-56.44	319.34	5.65	-50.79
O=C([O-])CC1CSCCN1S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007613477	0	39	-1.0	-61.08	304.75	6.02	-55.06
CC1=CC=CC(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613478	0	39	-1.0	-58.81	301.60	7.71	-51.10
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613479	0	42	-1.0	-56.80	325.74	5.98	-50.82
CC(C)(C)N1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613480	0	42	-1.0	-59.14	343.04	6.16	-52.98
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007613481	0	40	-1.0	-58.33	317.51	5.25	-53.08
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CN=C1C(F)(F)F	REAL300007613482	0	38	-1.0	-53.85	327.79	6.12	-47.73
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007613483	0	36	-1.0	-53.63	322.85	7.33	-46.30
CC1=NN(C)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613484	0	36	-1.0	-54.81	300.33	4.75	-50.06
CC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1C	REAL300007613485	0	39	-1.0	-59.76	298.42	7.27	-52.49
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613486	0	44	-1.0	-68.80	361.52	8.55	-60.25
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007613487	0	44	-1.0	-61.77	346.70	9.65	-52.12
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007613488	0	39	-1.0	-57.84	335.59	7.27	-50.57
O=C([O-])CC1CSCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007613489	0	39	-1.0	-58.28	317.96	6.76	-51.52
CN(C1CCC1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613490	0	38	-1.0	-60.16	297.65	5.89	-54.27
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007613491	0	40	-1.0	-68.39	330.01	4.84	-63.55
O=C([O-])CC1CSCCN1C(=O)N1CCC(F)(F)CC1	REAL300007613492	0	37	-1.0	-52.15	289.48	7.06	-45.09
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007613493	0	33	-1.0	-65.70	295.34	6.50	-59.20
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007613494	0	40	-1.0	-61.12	327.83	8.75	-52.37
COC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=CS1	REAL300007613495	0	34	-1.0	-63.02	299.96	4.86	-58.16
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007613496	0	43	-1.0	-55.48	338.34	6.77	-48.71
CCC(C)N1N=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613497	0	42	-1.0	-55.79	338.85	6.31	-49.48
CN(C(C)(C)C)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613498	0	40	-1.0	-59.95	289.84	5.67	-54.28
CCC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])O1	REAL300007613499	0	36	-1.0	-55.77	303.64	5.81	-49.96
CN(C1CCCCCC1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613500	0	47	-1.0	-60.45	339.88	7.42	-53.03
CN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C2CCOCC2)=N1	REAL300007613501	0	47	-1.0	-59.51	368.05	5.35	-54.16
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613502	0	39	-1.0	-59.77	331.75	8.17	-51.60
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007613503	0	37	-1.0	-60.62	317.80	6.23	-54.39
O=C([O-])CC1CSCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007613504	0	48	-1.0	-58.59	361.08	8.80	-49.79
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])S1	REAL300007613505	0	34	-1.0	-48.18	301.91	3.70	-44.48
CC1=CC(C)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=NC=CC=C12	REAL300007613506	0	44	-1.0	-71.94	344.77	8.68	-63.26
O=C([O-])CC1CSCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007613507	0	41	-1.0	-61.35	333.47	6.68	-54.67
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007613508	0	36	-1.0	-58.62	311.76	5.38	-53.24
CCOCC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613509	0	43	-1.0	-63.34	355.46	7.33	-56.01
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613510	0	43	-1.0	-55.69	357.76	7.72	-47.97
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007613511	0	46	-1.0	-58.50	365.44	7.63	-50.87
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007613512	0	44	-1.0	-58.53	368.34	9.55	-48.98
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007613513	0	36	-1.0	-64.04	293.21	7.31	-56.73
CC1=CN=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613514	0	35	-1.0	-58.44	295.11	5.51	-52.93
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=CC=CC=C12	REAL300007613515	0	42	-1.0	-64.52	330.38	9.02	-55.50
CN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007613516	0	43	-1.0	-56.04	355.09	7.11	-48.93
O=C([O-])CC1CSCCN1S(=O)(=O)N1CC2CC1C2	REAL300007613517	0	36	-1.0	-59.61	287.84	5.03	-54.58
O=C([O-])CC1CSCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007613518	0	37	-1.0	-55.02	317.14	7.44	-47.58
CCOCCCS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613519	0	39	-1.0	-51.27	320.84	4.63	-46.64
O=C([O-])CC1CSCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007613520	0	38	-1.0	-44.74	318.70	-0.13	-44.87
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007613521	0	36	-1.0	-61.22	303.94	7.00	-54.22
O=C([O-])CC1CSCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007613522	0	39	-1.0	-63.55	308.10	6.77	-56.78
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007613523	0	35	-1.0	-60.19	309.24	5.92	-54.27
O=C([O-])CC1CSCCN1S(=O)(=O)CCOC1CCOC1	REAL300007613524	0	41	-1.0	-46.43	331.00	3.19	-43.24
O=C([O-])CC1CSCCN1S(=O)(=O)CC1COCCO1	REAL300007613525	0	38	-1.0	-51.51	307.68	3.31	-48.20
CC1=NC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007613526	0	42	-1.0	-56.31	338.06	5.97	-50.34
O=C([O-])CC1CSCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007613527	0	50	-1.0	-47.21	352.08	8.74	-38.47
O=C([O-])CC1CSCCN1S(=O)(=O)CCN1C=NN=N1	REAL300007613528	0	34	-1.0	-48.58	292.85	3.96	-44.62
CC1(C)COC(CS(=O)(=O)N2CCSCC2CC(=O)[O-])C1	REAL300007613529	0	43	-1.0	-46.31	335.30	5.63	-40.68
O=C([O-])CC1CSCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007613530	0	36	-1.0	-54.34	309.05	1.77	-52.57
CC(C)(CS(=O)(=O)N1CCSCC1CC(=O)[O-])C(C)(F)F	REAL300007613531	0	41	-1.0	-49.70	318.98	6.51	-43.19
CS(=O)(=O)CCCCS(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613532	0	41	-1.0	-59.39	350.45	2.93	-56.46
CC1(C)CCC(CS(=O)(=O)N2CCSCC2CC(=O)[O-])OC1	REAL300007613533	0	46	-1.0	-50.80	355.09	6.13	-44.67
O=C([O-])CC1CSCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007613534	0	43	-1.0	-42.02	342.85	8.02	-34.00
O=C([O-])CC1CSCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007613535	0	37	-1.0	-66.90	324.92	5.52	-61.38
O=C([O-])CC1CSCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007613536	0	43	-1.0	-65.96	358.95	9.54	-56.42
O=C([O-])CC1CSCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007613537	0	42	-1.0	-44.60	323.71	3.74	-40.86
COCCC1(S(=O)(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300007613538	0	40	-1.0	-61.22	312.16	5.44	-55.78
CCN1N=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=N1	REAL300007613539	0	35	-1.0	-58.99	299.82	3.35	-55.64
O=C([O-])CC1CSCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007613540	0	46	-1.0	-51.68	346.46	8.11	-43.57
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007613541	0	37	-1.0	-59.63	322.24	7.78	-51.85
COC1=CC=C(C=C(C)S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300007613542	0	44	-1.0	-57.95	357.89	7.49	-50.46
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613543	0	38	-1.0	-60.28	305.06	3.00	-57.28
CC1=COC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613544	0	33	-1.0	-58.95	284.15	5.05	-53.90
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])O1	REAL300007613545	0	33	-1.0	-59.54	283.76	5.20	-54.34
CCC1=NNC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613546	0	36	-1.0	-57.71	295.85	4.23	-53.48
COC1=CSC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1OC	REAL300007613547	0	38	-1.0	-60.79	320.39	4.37	-56.42
O=C([O-])CC1CSCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007613548	0	45	-1.0	-61.01	336.44	6.70	-54.31
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613549	0	44	-1.0	-60.63	349.02	7.96	-52.67
COC1=CC(F)=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(F)=C1	REAL300007613550	0	37	-1.0	-62.68	315.26	5.96	-56.72
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007613551	0	37	-1.0	-59.79	324.00	6.29	-53.50
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613552	0	39	-1.0	-56.21	318.78	6.23	-49.98
CN1C=CC2=CC(S(=O)(=O)N3CCSCC3CC(=O)[O-])=CC=C21	REAL300007613553	0	40	-1.0	-63.74	331.13	8.03	-55.71
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613554	0	46	-1.0	-60.33	366.76	8.47	-51.86
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007613555	0	44	-1.0	-58.00	367.36	9.17	-48.83
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613556	0	39	-1.0	-39.32	295.15	5.94	-33.38
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007613557	0	34	-1.0	-58.47	319.10	5.18	-53.29
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613558	0	44	-1.0	-62.96	362.22	8.27	-54.69
CCN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C2CC2)=N1	REAL300007613559	0	43	-1.0	-60.22	352.39	7.16	-53.06
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=NSN=C2C=C1	REAL300007613560	0	37	-1.0	-64.29	311.79	5.45	-58.84
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007613561	0	39	-1.0	-58.46	340.95	9.31	-49.15
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007613562	0	32	-1.0	-62.77	306.09	4.73	-58.04
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613563	0	46	-1.0	-55.87	363.56	7.59	-48.28
O=C([O-])CC1CSCCN1S(=O)(=O)C1=C(Cl)OC=C1	REAL300007613564	0	30	-1.0	-58.49	271.64	4.61	-53.88
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007613565	0	30	-1.0	-44.77	286.94	4.77	-40.00
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613566	0	47	-1.0	-66.54	379.79	6.82	-59.72
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007613567	0	39	-1.0	-58.33	327.07	8.71	-49.62
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613568	0	41	-1.0	-54.14	327.76	3.98	-50.16
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007613569	0	40	-1.0	-61.13	309.44	7.74	-53.39
CC1(C)CCN(S(=O)(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300007613570	0	44	-1.0	-58.55	319.19	6.14	-52.41
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613571	0	36	-1.0	-58.36	317.58	4.23	-54.13
COC1=NC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=C1C	REAL300007613572	0	39	-1.0	-56.54	325.95	4.03	-52.51
CC(C)CN1C=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300007613573	0	42	-1.0	-58.86	341.93	6.83	-52.03
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613574	0	42	-1.0	-58.64	337.27	5.96	-52.68
O=C([O-])CC1CSCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007613575	0	43	-1.0	-62.01	339.84	3.94	-58.07
COCC1=CC(CS(=O)(=O)N2CCSCC2CC(=O)[O-])=NO1	REAL300007613576	0	39	-1.0	-56.05	329.84	3.80	-52.25
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])N=C1	REAL300007613577	0	44	-1.0	-61.53	350.26	6.80	-54.73
CC(C)N1N=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613578	0	39	-1.0	-54.76	314.04	5.31	-49.45
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007613579	0	40	-1.0	-54.11	323.89	6.20	-47.91
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007613580	0	40	-1.0	-59.15	331.49	7.50	-51.65
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007613581	0	35	-1.0	-62.41	307.05	5.48	-56.93
O=C([O-])CC1CSCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007613582	0	38	-1.0	-68.52	312.36	6.42	-62.10
CC1=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C=NN1C(C)C	REAL300007613583	0	42	-1.0	-61.84	336.34	6.03	-55.81
O=C([O-])CC1CSCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007613584	0	38	-1.0	-46.34	304.60	5.86	-40.48
CC1=CN=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C)=C1	REAL300007613585	0	38	-1.0	-62.33	305.98	5.89	-56.44
CC1=CN=CC=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613586	0	35	-1.0	-40.96	268.19	3.28	-37.68
O=C([O-])CC1CSCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007613587	0	36	-1.0	-55.31	301.70	5.97	-49.34
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613588	0	41	-1.0	-65.04	328.94	2.34	-62.70
O=C([O-])CC1CSCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007613589	0	40	-1.0	-59.05	307.55	4.33	-54.72
N#CC1CCN(S(=O)(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300007613590	0	39	-1.0	-65.18	316.25	6.05	-59.13
COC1=CC=NC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613591	0	36	-1.0	-46.06	295.38	2.97	-43.09
C=CCN(CC=C)S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613592	0	39	-1.0	-59.22	315.93	6.30	-52.92
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C(C(F)F)=C1	REAL300007613593	0	40	-1.0	-54.07	326.81	6.40	-47.67
COC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])N=C1	REAL300007613594	0	36	-1.0	-61.95	304.28	3.93	-58.02
CC1=CC=CN=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613595	0	35	-1.0	-62.23	283.32	5.00	-57.23
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007613596	0	38	-1.0	-57.46	304.75	6.21	-51.25
CCOC1=CC=CN=C1S(=O)(=O)N1CCSCC1CC(=O)[O-]	REAL300007613597	0	39	-1.0	-57.44	324.57	5.09	-52.35
CC1=CC=C(S(=O)(=O)N2CCSCC2CC(=O)[O-])C2=NC=CC=C12	REAL300007613598	0	41	-1.0	-70.26	332.47	8.02	-62.24
CC1=CC(S(=O)(=O)N2CCSCC2CC(=O)[O-])=CC=N1	REAL300007613599	0	35	-1.0	-57.04	295.41	5.50	-51.54
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007613600	0	37	-1.0	-64.05	305.05	6.35	-57.70
O=C([O-])CC1CSCCN1S(=O)(=O)N1CCC(F)(F)C1	REAL300007613601	0	35	-1.0	-56.19	294.27	5.28	-50.91
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CN=CS1	REAL300007613602	0	29	-1.0	-57.37	265.10	3.57	-53.80
O=C([O-])CC1CSCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007613603	0	35	-1.0	-47.02	299.99	4.58	-42.44
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300007613604	0	46	-1.0	-65.90	364.44	8.50	-57.40
CCC(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613605	0	43	-1.0	-43.55	330.41	5.51	-38.04
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613606	0	38	-1.0	-46.64	303.65	3.32	-43.32
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613607	0	34	-1.0	-43.68	289.42	4.34	-39.34
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007613608	0	35	-1.0	-44.43	298.67	3.29	-41.14
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007613609	0	37	-1.0	-52.44	312.79	0.45	-51.99
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007613610	0	35	-1.0	-42.16	298.08	2.72	-39.44
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1OC	REAL300007613611	0	42	-1.0	-46.58	328.22	3.05	-43.53
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613612	0	34	-1.0	-42.34	286.26	4.36	-37.98
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007613613	0	47	-1.0	-43.41	353.97	6.74	-36.67
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007613614	0	37	-1.0	-45.61	296.23	2.07	-43.54
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300007613615	0	31	-1.0	-44.03	269.44	3.72	-40.31
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007613616	0	31	-1.0	-42.68	274.41	3.63	-39.05
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613617	0	36	-1.0	-48.92	282.26	5.17	-43.75
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007613618	0	37	-1.0	-44.79	314.15	5.07	-39.72
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613619	0	41	-1.0	-53.03	336.11	-0.42	-53.45
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613620	0	42	-1.0	-44.96	334.67	4.78	-40.18
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007613621	0	37	-1.0	-44.83	297.19	3.39	-41.44
COCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613622	0	38	-1.0	-44.56	307.17	2.66	-41.90
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300007613623	0	37	-1.0	-43.86	300.70	0.43	-43.43
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007613624	0	40	-1.0	-55.33	337.13	1.12	-54.21
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300007613625	0	36	-1.0	-56.32	301.14	-0.91	-57.23
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1C	REAL300007613626	0	41	-1.0	-44.71	314.76	3.78	-40.93
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007613627	0	36	-1.0	-45.60	311.31	3.47	-42.13
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007613628	0	34	-1.0	-43.85	297.15	4.37	-39.48
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007613629	0	36	-1.0	-47.57	292.86	3.31	-44.26
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613630	0	48	-1.0	-48.90	392.33	1.98	-46.92
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007613631	0	41	-1.0	-52.88	318.79	-1.40	-54.28
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007613632	0	40	-1.0	-49.13	325.49	4.07	-45.06
CCN1N=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1C	REAL300007613633	0	40	-1.0	-46.65	308.55	2.71	-43.94
CC(C)CN1C=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613634	0	40	-1.0	-50.52	317.56	4.43	-46.09
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613635	0	43	-1.0	-44.86	311.61	6.00	-38.86
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007613636	0	44	-1.0	-49.78	356.51	5.89	-43.89
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613637	0	39	-1.0	-51.98	318.42	2.30	-49.68
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007613638	0	37	-1.0	-43.87	319.75	4.02	-39.85
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1OC	REAL300007613639	0	39	-1.0	-44.40	324.92	2.81	-41.59
COC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(OC)C=C1Br	REAL300007613640	0	39	-1.0	-44.55	332.14	2.68	-41.87
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Br	REAL300007613641	0	34	-1.0	-44.20	291.60	4.11	-40.09
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007613642	0	37	-1.0	-43.96	308.21	5.72	-38.24
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007613643	0	36	-1.0	-41.63	305.31	5.14	-36.49
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007613644	0	35	-1.0	-45.72	296.52	2.54	-43.18
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007613645	0	38	-1.0	-46.53	318.89	4.18	-42.35
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613646	0	46	-1.0	-46.20	351.02	4.20	-42.00
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007613647	0	34	-1.0	-44.87	284.28	3.80	-41.07
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613648	0	42	-1.0	-48.72	337.30	2.38	-46.34
CC1=CC=C(CS(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615001	0	45	-1.0	-51.85	362.03	6.01	-45.84
CN1C=NC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615002	0	39	-1.0	-58.97	323.79	3.78	-55.19
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CN=C1	REAL300007615003	0	38	-1.0	-50.60	314.61	2.90	-47.70
CC1CCCCN1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615004	0	47	-1.0	-47.47	338.29	4.18	-43.29
CC(C)N(C)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615005	0	43	-1.0	-51.30	334.04	3.29	-48.01
CCCN(CCC)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615006	0	49	-1.0	-50.82	374.00	4.91	-45.91
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007615007	0	42	-1.0	-52.40	375.09	6.41	-45.99
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C2=CC=CC=C12	REAL300007615008	0	49	-1.0	-56.04	386.49	6.41	-49.63
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615009	0	44	-1.0	-49.96	362.49	6.19	-43.77
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615010	0	44	-1.0	-51.27	357.05	6.00	-45.27
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615011	0	47	-1.0	-54.64	380.51	7.07	-47.57
CC(C)CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615012	0	51	-1.0	-50.32	398.14	7.26	-43.06
COCCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615013	0	49	-1.0	-50.70	393.55	5.08	-45.62
COCCN(CCOC)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615014	0	51	-1.0	-50.50	397.69	2.01	-48.49
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615015	0	42	-1.0	-49.01	344.48	5.64	-43.37
COC1=C(C)C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1C	REAL300007615016	0	49	-1.0	-51.80	393.14	5.58	-46.22
CC(C)CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615017	0	55	-1.0	-50.66	428.88	6.90	-43.76
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007615018	0	53	-1.0	-50.78	410.90	6.78	-44.00
CC(C)COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615019	0	52	-1.0	-50.83	409.92	6.29	-44.54
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615020	0	49	-1.0	-50.83	389.82	5.60	-45.23
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1Cl	REAL300007615021	0	43	-1.0	-49.80	365.14	4.54	-45.26
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1C	REAL300007615022	0	46	-1.0	-51.72	369.19	4.73	-46.99
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CC=C1OC(C)C	REAL300007615023	0	52	-1.0	-52.39	409.26	6.28	-46.11
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C)=C1	REAL300007615024	0	46	-1.0	-51.30	357.22	4.41	-46.89
COCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615025	0	50	-1.0	-53.66	401.96	4.07	-49.59
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC=CC=C1F	REAL300007615026	0	42	-1.0	-56.30	345.93	5.38	-50.92
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1C	REAL300007615027	0	47	-1.0	-47.30	354.78	6.66	-40.64
CC1=NC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)S1	REAL300007615028	0	41	-1.0	-51.82	343.16	3.07	-48.75
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007615029	0	42	-1.0	-53.13	350.80	5.86	-47.27
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1CCCC1	REAL300007615030	0	45	-1.0	-49.60	344.55	5.04	-44.56
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CC=C1F	REAL300007615031	0	43	-1.0	-50.83	355.35	4.06	-46.77
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CSC=C1	REAL300007615032	0	36	-1.0	-50.11	311.14	3.60	-46.51
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007615033	0	49	-1.0	-56.48	393.82	8.10	-48.38
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007615034	0	42	-1.0	-52.59	376.64	6.45	-46.14
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1CCCCC1	REAL300007615035	0	48	-1.0	-49.65	359.58	5.72	-43.93
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615036	0	47	-1.0	-61.16	375.09	6.40	-54.76
CNC(=O)C1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CN1C	REAL300007615037	0	47	-1.0	-55.09	383.53	2.33	-52.76
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C)=C1	REAL300007615038	0	49	-1.0	-48.54	367.50	5.25	-43.29
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1C	REAL300007615039	0	49	-1.0	-50.65	377.29	5.15	-45.50
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C2=CC=CN=C2C=C1	REAL300007615040	0	47	-1.0	-54.19	361.72	5.75	-48.44
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007615041	0	44	-1.0	-58.44	351.97	5.05	-53.39
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C([N+](=O)[O-])=N1	REAL300007615042	0	44	-1.0	-64.58	367.14	5.36	-59.22
CCC(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615043	0	47	-1.0	-55.69	382.70	5.95	-49.74
CN(C1CC1)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615044	0	41	-1.0	-51.52	324.84	3.33	-48.19
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007615045	0	49	-1.0	-51.48	405.59	6.25	-45.23
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007615046	0	42	-1.0	-70.99	345.92	3.83	-67.16
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615047	0	61	-1.0	-50.82	452.34	7.49	-43.33
CC1=CC=CC(CS(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615048	0	45	-1.0	-54.27	364.57	6.11	-48.16
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007615049	0	42	-1.0	-53.13	349.58	5.51	-47.62
CC1=CC=CC=C1CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615050	0	45	-1.0	-50.88	356.36	5.92	-44.96
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615051	0	49	-1.0	-55.11	383.04	6.08	-49.03
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007615052	0	44	-1.0	-58.06	367.89	4.86	-53.20
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007615053	0	46	-1.0	-55.37	380.18	5.79	-49.58
CCCCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615054	0	55	-1.0	-50.69	432.81	7.16	-43.53
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007615055	0	49	-1.0	-54.09	373.67	7.30	-46.79
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007615056	0	45	-1.0	-56.38	365.24	6.41	-49.97
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007615057	0	44	-1.0	-51.54	355.59	3.98	-47.56
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007615058	0	47	-1.0	-60.86	380.51	5.89	-54.97
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007615059	0	45	-1.0	-54.43	354.04	0.82	-53.61
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007615060	0	44	-1.0	-50.44	365.25	4.75	-45.69
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C)=C1	REAL300007615061	0	49	-1.0	-50.99	379.07	5.34	-45.65
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007615062	0	43	-1.0	-51.86	351.80	4.82	-47.04
CSC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615063	0	43	-1.0	-49.07	357.19	5.59	-43.48
CCCCCCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615064	0	50	-1.0	-52.50	390.78	6.32	-46.18
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007615065	0	45	-1.0	-53.11	381.90	6.44	-46.67
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615066	0	50	-1.0	-53.63	387.17	6.46	-47.17
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)N=C1C	REAL300007615067	0	45	-1.0	-62.34	365.19	4.47	-57.87
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007615068	0	45	-1.0	-54.68	356.79	4.35	-50.33
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007615069	0	44	-1.0	-54.97	353.28	5.19	-49.78
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1CCCO1	REAL300007615070	0	43	-1.0	-55.53	338.42	3.03	-52.50
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1CCCCO1	REAL300007615071	0	46	-1.0	-53.77	357.35	3.74	-50.03
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1C(F)(F)F	REAL300007615072	0	45	-1.0	-54.30	374.06	6.21	-48.09
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007615073	0	48	-1.0	-56.44	384.43	6.28	-50.16
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)C=C12	REAL300007615074	0	47	-1.0	-53.93	386.36	4.40	-49.53
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615075	0	46	-1.0	-55.29	388.10	5.31	-49.98
COCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615076	0	46	-1.0	-53.18	374.68	4.41	-48.77
CC1(C)CC2=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)=C2O1	REAL300007615077	0	50	-1.0	-58.74	394.82	5.95	-52.79
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=N1	REAL300007615078	0	42	-1.0	-51.05	345.70	3.25	-47.80
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007615079	0	42	-1.0	-54.05	354.20	5.79	-48.26
CC(C1CC1)N(C)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615080	0	47	-1.0	-51.29	363.81	4.70	-46.59
CN1N=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615081	0	39	-1.0	-49.89	319.81	2.36	-47.53
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007615082	0	42	-1.0	-52.06	367.54	6.24	-45.82
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1CCOC1	REAL300007615083	0	43	-1.0	-52.68	335.53	2.66	-50.02
CC1CC2=CC(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)=CC=C2O1	REAL300007615084	0	47	-1.0	-52.74	376.53	5.26	-47.48
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615085	0	51	-1.0	-50.27	364.37	7.35	-42.92
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007615086	0	45	-1.0	-51.45	386.04	5.38	-46.07
CCCCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615087	0	44	-1.0	-52.46	347.78	4.76	-47.70
COCCN(C)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615088	0	44	-1.0	-50.94	340.31	1.84	-49.10
CN(CC1CC1)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615089	0	44	-1.0	-48.78	346.02	4.17	-44.61
CC1=NC(C2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)C=C2)=CO1	REAL300007615090	0	48	-1.0	-57.93	393.37	3.63	-54.30
CN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C(F)(F)F)=N1	REAL300007615091	0	42	-1.0	-59.07	349.86	3.11	-55.96
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C(C)O1	REAL300007615092	0	42	-1.0	-49.55	335.96	4.04	-45.51
CC1=CSC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615093	0	39	-1.0	-52.26	333.19	4.35	-47.91
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007615094	0	42	-1.0	-56.75	349.37	5.08	-51.67
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007615095	0	42	-1.0	-50.18	346.08	3.34	-46.84
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=N1	REAL300007615096	0	42	-1.0	-51.58	346.80	1.38	-50.20
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CO1	REAL300007615097	0	36	-1.0	-53.81	302.29	2.68	-51.13
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN=C2CCCN12	REAL300007615098	0	43	-1.0	-52.56	347.29	4.11	-48.45
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=COC=C1	REAL300007615099	0	36	-1.0	-50.94	302.15	2.58	-48.36
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)SC=C1	REAL300007615100	0	39	-1.0	-52.37	328.09	4.31	-48.06
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007615101	0	47	-1.0	-53.24	373.32	5.31	-47.93
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007615102	0	46	-1.0	-52.55	359.65	6.39	-46.16
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1CCOC1	REAL300007615103	0	40	-1.0	-48.62	310.54	1.63	-46.99
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CNC=N1	REAL300007615104	0	36	-1.0	-58.56	301.08	2.06	-56.50
CC1=CC=C(N2C=C(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)C=N2)C=C1	REAL300007615105	0	49	-1.0	-51.69	402.01	6.47	-45.22
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CC=C1[N+](=O)[O-]	REAL300007615106	0	44	-1.0	-49.81	364.20	5.86	-43.95
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CCCCF	REAL300007615107	0	41	-1.0	-53.29	332.88	4.12	-49.17
CC1=NN(C)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615108	0	42	-1.0	-53.97	338.79	2.90	-51.07
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)O1	REAL300007615109	0	39	-1.0	-54.25	324.21	3.51	-50.74
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)N(C)N=C1	REAL300007615110	0	42	-1.0	-49.25	333.22	3.05	-46.20
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007615111	0	41	-1.0	-51.53	351.61	4.16	-47.37
CN(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615112	0	47	-1.0	-51.85	368.06	4.96	-46.89
CC1=CC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)C=C2C=C1	REAL300007615113	0	48	-1.0	-53.66	386.91	7.62	-46.04
COC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)SC=C1	REAL300007615114	0	40	-1.0	-56.66	340.90	3.39	-53.27
C=CCCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615115	0	42	-1.0	-52.68	339.09	4.54	-48.14
CN(C)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615116	0	47	-1.0	-52.91	371.14	5.07	-47.84
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1CCC1	REAL300007615117	0	42	-1.0	-49.73	328.95	4.40	-45.33
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007615118	0	44	-1.0	-57.68	351.65	4.61	-53.07
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007615119	0	44	-1.0	-59.26	363.98	4.68	-54.58
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007615120	0	44	-1.0	-51.91	355.85	4.54	-47.37
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007615121	0	45	-1.0	-52.69	381.43	6.75	-45.94
CN1CCCC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)C=C21	REAL300007615122	0	51	-1.0	-54.22	394.29	5.24	-48.98
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007615123	0	41	-1.0	-51.63	354.35	3.92	-47.71
COC1=CC=CC(OC)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615124	0	47	-1.0	-58.99	373.27	5.17	-53.82
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615125	0	47	-1.0	-53.75	372.39	6.31	-47.44
CC1=CC=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1[N+](=O)[O-]	REAL300007615126	0	47	-1.0	-49.42	366.05	7.31	-42.11
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1[N+](=O)[O-]	REAL300007615127	0	47	-1.0	-49.65	372.04	6.31	-43.34
COC1=CC=C(CCS(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615128	0	49	-1.0	-54.54	394.20	5.53	-49.01
COC1=CN=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615129	0	42	-1.0	-51.77	344.20	2.16	-49.61
CC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)S1	REAL300007615130	0	48	-1.0	-52.96	392.61	6.33	-46.63
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007615131	0	46	-1.0	-51.84	369.25	6.79	-45.05
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CC(OC)=C1	REAL300007615132	0	47	-1.0	-54.26	379.03	3.30	-50.96
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CCC1CCCCC1	REAL300007615133	0	51	-1.0	-49.80	382.91	6.30	-43.50
CC1=CC=C(CCS(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615134	0	48	-1.0	-50.73	383.53	6.78	-43.95
CC1=CC2=C(C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1)OCO2	REAL300007615135	0	45	-1.0	-49.72	353.64	3.78	-45.94
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007615136	0	42	-1.0	-57.80	343.98	5.01	-52.79
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CC=C1Cl	REAL300007615137	0	43	-1.0	-50.34	365.15	4.54	-45.80
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CCC1CCCC1	REAL300007615138	0	48	-1.0	-49.83	367.33	5.74	-44.09
CN1C=NC2=CC(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)=CC=C21	REAL300007615139	0	45	-1.0	-56.22	367.89	6.03	-50.19
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C2=NC=CC=C2C=C1	REAL300007615140	0	47	-1.0	-63.82	367.50	6.32	-57.50
CC1=NC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)C=C2O1	REAL300007615141	0	44	-1.0	-52.47	363.69	2.35	-50.12
CCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1CC	REAL300007615142	0	51	-1.0	-52.09	396.68	7.25	-44.84
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615143	0	47	-1.0	-47.00	366.49	6.64	-40.36
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615144	0	49	-1.0	-53.22	375.82	6.14	-47.08
CC1=C(C)SC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615145	0	42	-1.0	-53.16	353.26	5.10	-48.06
NC1=NC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615146	0	40	-1.0	-49.89	332.48	2.64	-47.25
CC1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)S1	REAL300007615147	0	38	-1.0	-50.81	328.15	2.50	-48.31
CCC1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)S1	REAL300007615148	0	41	-1.0	-50.35	349.62	3.25	-47.10
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(N)=NO1	REAL300007615149	0	40	-1.0	-50.81	324.77	2.00	-48.81
CN(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=N1	REAL300007615150	0	46	-1.0	-54.73	368.39	4.51	-50.22
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)S1	REAL300007615151	0	42	-1.0	-52.72	349.96	5.10	-47.62
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007615152	0	45	-1.0	-59.96	366.27	6.78	-53.18
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007615153	0	42	-1.0	-56.86	344.63	3.37	-53.49
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CC(C)=C1F	REAL300007615154	0	45	-1.0	-49.90	366.59	6.03	-43.87
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007615155	0	46	-1.0	-61.07	375.61	4.44	-56.63
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007615156	0	52	-1.0	-55.84	420.22	6.28	-49.56
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007615157	0	43	-1.0	-55.32	346.36	4.36	-50.96
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007615158	0	41	-1.0	-59.40	346.35	4.45	-54.95
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=N1	REAL300007615159	0	41	-1.0	-53.85	336.23	3.50	-50.35
CC1=NC(CS(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CS1	REAL300007615160	0	41	-1.0	-51.42	347.21	3.01	-48.41
COC(CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1)C1CC1	REAL300007615161	0	46	-1.0	-49.10	359.27	4.07	-45.03
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007615162	0	42	-1.0	-50.30	357.36	5.86	-44.44
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CC=C1Cl	REAL300007615163	0	42	-1.0	-49.87	355.08	5.79	-44.08
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007615164	0	45	-1.0	-63.86	367.73	5.67	-58.19
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007615165	0	47	-1.0	-56.25	365.63	5.95	-50.30
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007615166	0	48	-1.0	-56.19	375.48	5.05	-51.14
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007615167	0	42	-1.0	-52.63	363.07	5.95	-46.68
CCC1(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)CC1	REAL300007615168	0	42	-1.0	-51.44	318.43	4.96	-46.48
CCC(C)OC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615169	0	52	-1.0	-51.36	410.02	6.34	-45.02
COC(CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1)C1CCCC1	REAL300007615170	0	52	-1.0	-51.16	391.97	5.08	-46.08
COC(CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300007615171	0	55	-1.0	-51.91	411.99	5.46	-46.45
CC1(C)CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)CO1	REAL300007615172	0	46	-1.0	-48.79	352.34	3.07	-45.72
CCOC(CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1)C1CC1	REAL300007615173	0	49	-1.0	-49.33	381.05	4.92	-44.41
CCC1=NC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CN1CC1CC1	REAL300007615174	0	52	-1.0	-54.59	413.73	6.47	-48.12
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007615175	0	42	-1.0	-50.70	359.36	4.18	-46.52
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C)=C1[N+](=O)[O-]	REAL300007615176	0	47	-1.0	-52.22	381.83	7.04	-45.18
CN1N=CC(C2CC2)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615177	0	46	-1.0	-49.72	362.69	4.46	-45.26
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615178	0	42	-1.0	-48.15	362.58	3.27	-44.88
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007615179	0	49	-1.0	-55.48	375.28	7.64	-47.84
CCC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C(C)C=C1OC	REAL300007615180	0	52	-1.0	-53.40	405.37	6.30	-47.10
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=N1	REAL300007615181	0	41	-1.0	-63.16	343.33	3.49	-59.67
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C2=CC=CC=C2C=C1	REAL300007615182	0	48	-1.0	-57.39	366.72	7.64	-49.75
CC(C)OC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=N1	REAL300007615183	0	48	-1.0	-49.71	388.79	3.23	-46.48
COC1=C(F)C=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615184	0	43	-1.0	-53.98	345.81	4.80	-49.18
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1C(C)C	REAL300007615185	0	55	-1.0	-52.95	429.58	6.93	-46.02
CC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1F	REAL300007615186	0	51	-1.0	-53.51	397.85	6.95	-46.56
CN1N=C2CCCCC2=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615187	0	49	-1.0	-50.35	375.70	4.65	-45.70
CN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C(C)(C)C)=N1	REAL300007615188	0	51	-1.0	-54.28	391.20	4.99	-49.29
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007615189	0	49	-1.0	-53.92	387.01	5.03	-48.89
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615190	0	42	-1.0	-44.95	345.17	3.37	-41.58
COC1=CC=C(F)C=C1CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615191	0	46	-1.0	-55.90	377.78	4.86	-51.04
C=CCCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615192	0	49	-1.0	-50.40	394.19	7.36	-43.04
CCC1=NN(C)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615193	0	45	-1.0	-52.08	355.12	3.35	-48.73
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007615194	0	43	-1.0	-49.67	368.31	6.40	-43.27
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1CC	REAL300007615195	0	55	-1.0	-52.33	434.17	7.20	-45.13
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615196	0	45	-1.0	-46.74	354.89	6.48	-40.26
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CCCC1CC1	REAL300007615197	0	45	-1.0	-49.73	355.33	5.43	-44.30
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007615198	0	43	-1.0	-52.21	365.82	6.31	-45.90
CCCC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615199	0	48	-1.0	-53.62	372.61	7.20	-46.42
COC1=NC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615200	0	42	-1.0	-55.43	339.80	1.94	-53.49
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007615201	0	44	-1.0	-61.54	352.01	5.03	-56.51
CC1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)N1C	REAL300007615202	0	42	-1.0	-53.88	338.92	3.69	-50.19
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC=N1	REAL300007615203	0	38	-1.0	-55.67	316.21	2.75	-52.92
CC1=CSC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615204	0	42	-1.0	-46.90	332.13	4.99	-41.91
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007615205	0	46	-1.0	-54.68	369.51	4.36	-50.32
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007615206	0	46	-1.0	-49.30	366.57	4.55	-44.75
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007615207	0	49	-1.0	-50.31	385.40	5.28	-45.03
CC1(C)COC2=C(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)C=NN2C1	REAL300007615208	0	50	-1.0	-55.06	392.20	2.77	-52.29
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007615209	0	45	-1.0	-52.27	386.46	5.59	-46.68
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN=C2CCCCN12	REAL300007615210	0	46	-1.0	-55.18	361.16	4.80	-50.38
COC1=CC(C(C)C)=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1C	REAL300007615211	0	55	-1.0	-54.33	422.00	6.83	-47.50
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615212	0	49	-1.0	-52.92	388.75	6.20	-46.72
CC1CC2=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)=C2O1	REAL300007615213	0	47	-1.0	-58.32	372.64	5.38	-52.94
CC(C)(C)C1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)S1	REAL300007615214	0	47	-1.0	-50.47	388.28	4.34	-46.13
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615215	0	44	-1.0	-62.76	360.30	4.30	-58.46
CCN1N=NC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615216	0	41	-1.0	-46.50	330.91	1.89	-44.61
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007615217	0	48	-1.0	-51.30	365.21	4.64	-46.66
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007615218	0	40	-1.0	-50.75	334.50	3.48	-47.27
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007615219	0	42	-1.0	-55.00	358.52	6.13	-48.87
CN1N=C(C2CC2)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615220	0	46	-1.0	-49.12	370.30	4.45	-44.67
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C)=C1F	REAL300007615221	0	48	-1.0	-45.78	361.72	6.47	-39.31
COC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1OC	REAL300007615222	0	47	-1.0	-55.92	368.79	4.53	-51.39
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007615223	0	42	-1.0	-54.85	344.31	4.80	-50.05
CN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C2CCCC2)=N1	REAL300007615224	0	52	-1.0	-54.85	403.55	5.47	-49.38
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615225	0	51	-1.0	-50.32	395.73	5.20	-45.12
CCCCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C)=N1	REAL300007615226	0	51	-1.0	-53.74	403.32	5.30	-48.44
CN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C2CC2)=N1	REAL300007615227	0	46	-1.0	-54.39	368.24	4.35	-50.04
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007615228	0	43	-1.0	-50.61	356.23	4.14	-46.47
CN1N=NC2=C(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)C=CC=C21	REAL300007615229	0	44	-1.0	-69.80	360.32	3.20	-66.60
CC1(C)CCCN(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C1	REAL300007615230	0	50	-1.0	-51.13	374.51	5.08	-46.05
CN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C2CCC2)=N1	REAL300007615231	0	49	-1.0	-54.58	386.47	4.92	-49.66
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615232	0	57	-1.0	-54.40	432.75	8.70	-45.70
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007615233	0	49	-1.0	-50.74	393.61	5.34	-45.40
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007615234	0	43	-1.0	-54.16	355.52	5.94	-48.22
COC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C2=NC=CC=C2C=C1	REAL300007615235	0	48	-1.0	-67.84	384.33	5.93	-61.91
CCCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615236	0	48	-1.0	-52.03	384.01	6.89	-45.14
CN1N=C2CCCC2=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615237	0	46	-1.0	-51.66	361.84	4.08	-47.58
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007615238	0	45	-1.0	-50.27	342.16	4.01	-46.26
CC1=CC=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615239	0	45	-1.0	-48.93	334.83	5.74	-43.19
CC(C)(C)N1N=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615240	0	48	-1.0	-50.74	369.28	4.44	-46.30
CC(C)(C)N1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=N1	REAL300007615241	0	48	-1.0	-50.67	384.54	4.40	-46.27
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007615242	0	46	-1.0	-53.23	363.11	3.60	-49.63
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CN=C1C(F)(F)F	REAL300007615243	0	44	-1.0	-47.47	370.54	4.50	-42.97
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007615244	0	42	-1.0	-48.06	364.75	5.75	-42.31
CC1=NN(C)C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615245	0	42	-1.0	-50.08	343.14	2.86	-47.22
CC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1C	REAL300007615246	0	45	-1.0	-51.59	344.61	5.64	-45.95
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615247	0	50	-1.0	-55.26	404.20	6.72	-48.54
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007615248	0	50	-1.0	-51.21	387.27	7.71	-43.50
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007615249	0	45	-1.0	-51.30	361.98	5.12	-46.18
CN(C1CCC1)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615250	0	44	-1.0	-51.80	341.02	3.81	-47.99
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007615251	0	46	-1.0	-56.96	369.92	2.97	-53.99
O=C([O-])CCN(C(=O)N1CCC(F)(F)CC1)C1CCOCC1	REAL300007615252	0	43	-1.0	-48.82	319.26	5.86	-42.96
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007615253	0	39	-1.0	-53.61	340.94	4.87	-48.74
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007615254	0	46	-1.0	-51.76	368.83	6.79	-44.97
COC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=CS1	REAL300007615255	0	40	-1.0	-53.24	337.63	3.24	-50.00
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007615256	0	49	-1.0	-49.49	383.04	5.23	-44.26
CCC(C)N1N=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615257	0	48	-1.0	-50.14	380.75	4.57	-45.57
CN(C(C)(C)C)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615258	0	46	-1.0	-51.42	334.01	3.44	-47.98
CCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)O1	REAL300007615259	0	42	-1.0	-54.16	345.69	4.29	-49.87
CN(C1CCCCCC1)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615260	0	53	-1.0	-52.19	388.83	5.63	-46.56
CC(F)(F)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615261	0	45	-1.0	-50.47	372.84	6.22	-44.25
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007615262	0	43	-1.0	-52.28	358.87	4.26	-48.02
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007615263	0	54	-1.0	-51.79	415.45	7.35	-44.44
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)S1	REAL300007615264	0	40	-1.0	-51.85	343.40	3.13	-48.72
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C2=NC=CC=C12	REAL300007615265	0	50	-1.0	-63.92	380.50	6.62	-57.30
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007615266	0	47	-1.0	-50.88	370.96	4.61	-46.27
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN(CCF)N=C1	REAL300007615267	0	42	-1.0	-50.54	352.29	3.39	-47.15
CCOCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615268	0	49	-1.0	-53.16	396.55	5.37	-47.79
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615269	0	49	-1.0	-51.05	400.64	5.84	-45.21
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007615270	0	52	-1.0	-53.90	405.99	5.62	-48.28
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC=C1CF	REAL300007615271	0	42	-1.0	-55.67	339.74	5.72	-49.95
CC1=CN=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615272	0	41	-1.0	-53.10	336.06	3.56	-49.54
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C2=CC=CC=C12	REAL300007615273	0	48	-1.0	-57.42	375.90	7.59	-49.83
CN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C2=CC=CC=C2)=N1	REAL300007615274	0	49	-1.0	-59.86	394.86	5.82	-54.04
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CC2CC1C2	REAL300007615275	0	42	-1.0	-52.64	331.73	3.58	-49.06
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007615276	0	43	-1.0	-50.57	358.35	5.93	-44.64
CCOCCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615277	0	45	-1.0	-54.09	360.31	3.24	-50.85
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007615278	0	44	-1.0	-55.40	360.06	-1.43	-56.83
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007615279	0	42	-1.0	-57.29	345.09	5.09	-52.20
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1CCC(F)(F)CC1	REAL300007615280	0	45	-1.0	-48.34	347.07	4.89	-43.45
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007615281	0	41	-1.0	-51.71	350.57	4.08	-47.63
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CCOC1CCOC1	REAL300007615282	0	47	-1.0	-52.61	374.22	1.91	-50.70
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1COCCO1	REAL300007615283	0	44	-1.0	-56.94	347.84	1.90	-55.04
CC1=NC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C(C2=CC=CC=C2)O1	REAL300007615284	0	48	-1.0	-57.66	396.30	3.65	-54.01
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007615285	0	56	-1.0	-54.06	396.04	7.58	-46.48
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CCN1C=NN=N1	REAL300007615286	0	40	-1.0	-54.54	331.65	2.48	-52.06
CC1(C)COC(CS(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C1	REAL300007615287	0	49	-1.0	-57.31	379.61	3.89	-53.42
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007615288	0	42	-1.0	-56.58	347.86	0.31	-56.27
CC(C)(CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1)C(C)(F)F	REAL300007615289	0	47	-1.0	-51.95	358.43	5.17	-46.78
CS(=O)(=O)CCCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615290	0	47	-1.0	-62.94	389.92	1.53	-61.41
CC1(C)CCC(CS(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)OC1	REAL300007615291	0	52	-1.0	-53.99	393.30	5.05	-48.94
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007615292	0	49	-1.0	-52.58	389.94	7.02	-45.56
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007615293	0	43	-1.0	-52.25	364.85	3.66	-48.59
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007615294	0	48	-1.0	-52.24	369.30	2.06	-50.18
COCCC1(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)CC1	REAL300007615295	0	46	-1.0	-53.58	354.05	3.44	-50.14
CCN1N=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=N1	REAL300007615296	0	41	-1.0	-50.76	340.75	1.55	-49.21
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007615297	0	52	-1.0	-52.85	386.82	6.73	-46.12
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007615298	0	43	-1.0	-53.26	363.44	6.00	-47.26
COC1=CC=C(C=C(C)S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300007615299	0	50	-1.0	-52.11	395.09	5.70	-46.41
CO[C@@H]1COC[C@@H]1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615300	0	44	-1.0	-56.16	346.55	1.54	-54.62
CC1=COC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615301	0	39	-1.0	-50.95	324.63	3.35	-47.60
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)O1	REAL300007615302	0	39	-1.0	-54.25	324.21	3.51	-50.74
CCC1=NNC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615303	0	42	-1.0	-51.01	332.06	2.04	-48.97
COC1=CSC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1OC	REAL300007615304	0	44	-1.0	-55.16	370.28	2.68	-52.48
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007615305	0	51	-1.0	-51.15	380.42	5.14	-46.01
CN(CCC1=CC=CC=C1)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615306	0	50	-1.0	-51.11	391.25	6.27	-44.84
COC1=CC(F)=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(F)=C1	REAL300007615307	0	43	-1.0	-54.48	357.67	4.27	-50.21
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007615308	0	43	-1.0	-56.18	365.10	4.33	-51.85
CN1N=C2C=CC=CC2=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615309	0	45	-1.0	-52.94	360.90	4.54	-48.40
CN1C=CC2=CC(S(=O)(=O)N(CCC(=O)[O-])C3CCOCC3)=CC=C21	REAL300007615310	0	46	-1.0	-55.05	373.75	6.45	-48.60
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615311	0	45	-1.0	-60.86	357.31	6.43	-54.43
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615312	0	50	-1.0	-51.88	402.96	6.30	-45.58
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C2CC2)=N1	REAL300007615313	0	49	-1.0	-54.41	389.77	5.22	-49.19
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C2=NSN=C2C=C1	REAL300007615314	0	43	-1.0	-62.25	351.56	3.76	-58.49
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007615315	0	45	-1.0	-51.13	382.26	7.46	-43.67
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007615316	0	38	-1.0	-57.49	347.35	2.68	-54.81
CC1=NN(C2CCCC2)C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615317	0	52	-1.0	-50.32	405.02	5.84	-44.48
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=C(Cl)OC=C1	REAL300007615318	0	36	-1.0	-51.81	312.31	2.98	-48.83
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC(Cl)=CS1	REAL300007615319	0	36	-1.0	-48.86	328.42	4.20	-44.66
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007615320	0	45	-1.0	-55.47	372.26	7.22	-48.25
CN1N=C2CCOCC2=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615321	0	47	-1.0	-51.43	362.53	2.13	-49.30
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007615322	0	46	-1.0	-53.54	353.76	6.34	-47.20
CC1(C)CCN(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)CC1	REAL300007615323	0	50	-1.0	-49.87	367.94	4.60	-45.27
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615324	0	42	-1.0	-50.68	356.59	2.43	-48.25
COC1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1C	REAL300007615325	0	45	-1.0	-49.82	366.95	2.09	-47.73
CC(C)CN1C=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=N1	REAL300007615326	0	48	-1.0	-55.54	387.03	4.78	-50.76
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615327	0	48	-1.0	-53.08	379.02	4.27	-48.81
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007615328	0	49	-1.0	-51.47	380.71	2.35	-49.12
COCC1=CC(CS(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=NO1	REAL300007615329	0	45	-1.0	-57.21	371.21	2.49	-54.72
CC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)N=C1	REAL300007615330	0	50	-1.0	-51.21	392.02	5.08	-46.13
CC(C)N1N=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615331	0	45	-1.0	-50.03	362.52	3.91	-46.12
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007615332	0	46	-1.0	-50.15	365.40	4.69	-45.46
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007615333	0	46	-1.0	-53.79	376.30	5.72	-48.07
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007615334	0	41	-1.0	-51.10	348.21	3.62	-47.48
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007615335	0	44	-1.0	-51.71	349.44	4.91	-46.80
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C=NN1C(C)C	REAL300007615336	0	48	-1.0	-50.85	378.09	4.17	-46.68
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007615337	0	44	-1.0	-59.97	353.58	5.07	-54.90
CC1=CN=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C)=C1	REAL300007615338	0	44	-1.0	-58.67	347.15	4.04	-54.63
CC1=CN=CC=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615339	0	41	-1.0	-49.35	323.09	3.29	-46.06
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CC=C(Br)CC1	REAL300007615340	0	42	-1.0	-49.88	351.48	4.37	-45.51
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615341	0	47	-1.0	-55.78	368.25	0.26	-55.52
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CC2CCC(C1)O2	REAL300007615342	0	46	-1.0	-48.94	346.71	2.63	-46.31
N#CC1CCN(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)CC1	REAL300007615343	0	45	-1.0	-51.90	354.16	4.00	-47.90
COC1=CC=NC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615344	0	42	-1.0	-56.06	345.61	2.10	-53.96
C=CCN(CC=C)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615345	0	45	-1.0	-49.33	357.50	4.53	-44.80
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C(C(F)F)=C1	REAL300007615346	0	46	-1.0	-57.56	369.89	5.20	-52.36
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)N=C1	REAL300007615347	0	42	-1.0	-51.63	345.43	2.06	-49.57
CC1=CC=CN=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615348	0	41	-1.0	-56.62	331.91	3.54	-53.08
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007615349	0	44	-1.0	-52.99	345.94	4.64	-48.35
CCOC1=CC=CN=C1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300007615350	0	45	-1.0	-61.15	364.92	3.97	-57.18
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)C2=NC=CC=C12	REAL300007615351	0	47	-1.0	-61.60	371.55	6.28	-55.32
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=CC=N1	REAL300007615352	0	41	-1.0	-50.86	336.40	3.53	-47.33
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007615353	0	43	-1.0	-59.03	348.07	4.45	-54.58
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CCC(F)(F)C1	REAL300007615354	0	41	-1.0	-52.05	336.50	3.15	-48.90
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CN=CS1	REAL300007615355	0	35	-1.0	-48.15	303.75	1.72	-46.43
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007615356	0	41	-1.0	-58.99	350.24	3.73	-55.26
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300007615357	0	52	-1.0	-55.82	403.58	6.77	-49.05
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC=C1	REAL300007615358	0	36	-1.0	-59.11	309.28	7.22	-51.89
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC(F)=C1	REAL300007615359	0	36	-1.0	-59.58	316.27	7.24	-52.34
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615360	0	41	-1.0	-71.52	352.63	7.65	-63.87
CCCCN(C)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615361	0	43	-1.0	-55.84	343.41	6.54	-49.30
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CS1	REAL300007615362	0	33	-1.0	-58.90	301.21	6.22	-52.68
CCC(C)C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615363	0	48	-1.0	-57.92	387.97	9.81	-48.11
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300007615364	0	36	-1.0	-51.45	322.70	7.03	-44.42
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007615365	0	33	-1.0	-55.54	318.25	6.84	-48.70
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615366	0	43	-1.0	-51.37	350.68	7.86	-43.51
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CCOCC1	REAL300007615367	0	39	-1.0	-48.09	317.60	3.90	-44.19
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615368	0	42	-1.0	-63.26	369.98	4.74	-58.52
COC1=CC(C)=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1OC	REAL300007615369	0	47	-1.0	-52.03	375.16	6.85	-45.18
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615370	0	39	-1.0	-53.91	331.62	8.03	-45.88
CN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300007615371	0	36	-1.0	-54.24	313.36	4.95	-49.29
CCN(CC)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615372	0	40	-1.0	-58.00	325.04	5.98	-52.02
CN(C1CCCCC1)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615373	0	47	-1.0	-58.72	366.37	7.66	-51.06
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615374	0	42	-1.0	-50.61	343.84	6.23	-44.38
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007615375	0	52	-1.0	-57.59	411.15	11.03	-46.56
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007615376	0	42	-1.0	-55.00	353.29	6.39	-48.61
CCC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615377	0	42	-1.0	-58.39	352.19	8.65	-49.74
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007615378	0	36	-1.0	-48.63	318.40	7.59	-41.04
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007615379	0	36	-1.0	-58.68	331.15	7.80	-50.88
CC1=NNC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615380	0	36	-1.0	-57.02	303.39	4.03	-52.99
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615381	0	41	-1.0	-62.94	335.44	8.97	-53.97
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007615382	0	42	-1.0	-60.68	371.30	9.22	-51.46
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615383	0	46	-1.0	-53.36	391.91	3.78	-49.58
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615384	0	47	-1.0	-60.36	391.90	9.06	-51.30
CC1=CC(F)=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615385	0	39	-1.0	-51.59	336.63	7.97	-43.62
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1CC1	REAL300007615386	0	39	-1.0	-59.89	326.26	7.26	-52.63
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007615387	0	42	-1.0	-58.93	354.95	7.73	-51.20
COCC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615388	0	43	-1.0	-59.02	364.36	6.95	-52.07
CCOC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300007615389	0	42	-1.0	-48.19	357.85	4.84	-43.35
CS(=O)(=O)CCCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615390	0	41	-1.0	-74.38	358.29	3.25	-71.13
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C)=C1C	REAL300007615391	0	46	-1.0	-57.41	359.96	7.42	-49.99
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007615392	0	41	-1.0	-60.73	350.81	7.56	-53.17
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1=NOC=C1	REAL300007615393	0	35	-1.0	-66.33	308.05	5.21	-61.12
CC1=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=NN1C	REAL300007615394	0	39	-1.0	-55.95	324.16	5.25	-50.70
CN(C1CCOCC1)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615395	0	45	-1.0	-56.74	353.45	5.14	-51.60
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CC2CCC1C2	REAL300007615396	0	42	-1.0	-58.82	331.47	6.58	-52.24
CC1=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007615397	0	45	-1.0	-58.78	377.01	8.24	-50.54
CCN1N=C(C)C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1C	REAL300007615398	0	45	-1.0	-50.49	365.65	7.10	-43.39
CC(C)N1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300007615399	0	42	-1.0	-49.90	353.58	6.32	-43.58
CC(C)CN1C=NC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615400	0	45	-1.0	-61.11	374.40	8.14	-52.97
CC(C)N1C=NC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615401	0	42	-1.0	-60.83	355.29	7.56	-53.27
CC(C)C1=NC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CN1	REAL300007615402	0	42	-1.0	-67.78	353.67	5.62	-62.16
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615403	0	48	-1.0	-61.05	359.40	9.88	-51.17
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615404	0	44	-1.0	-72.96	375.96	6.59	-66.37
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1CCCOC1	REAL300007615405	0	43	-1.0	-48.16	343.30	5.92	-42.24
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615406	0	39	-1.0	-47.71	321.58	7.67	-40.04
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615407	0	51	-1.0	-50.49	397.76	8.13	-42.36
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007615408	0	39	-1.0	-57.18	341.48	8.08	-49.10
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615409	0	47	-1.0	-52.35	384.33	6.92	-45.43
COCCC(C)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615410	0	42	-1.0	-61.52	339.30	5.43	-56.09
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615411	0	40	-1.0	-46.86	335.63	7.26	-39.60
CCC(C)CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615412	0	41	-1.0	-60.64	328.61	7.09	-53.55
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007615413	0	54	-1.0	-49.80	396.52	8.86	-40.94
CC1=NC2=C(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C=CC=C2C=C1	REAL300007615414	0	44	-1.0	-57.66	355.98	8.69	-48.97
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007615415	0	44	-1.0	-54.26	374.31	9.08	-45.18
CCN(CC1CC1)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615416	0	44	-1.0	-58.01	358.44	7.62	-50.39
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007615417	0	47	-1.0	-49.87	385.98	5.79	-44.08
CCCN1C=NC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615418	0	42	-1.0	-61.18	357.17	7.92	-53.26
COCCOCCOCCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615419	0	50	-1.0	-54.84	417.97	4.50	-50.34
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCOCC1CC1	REAL300007615420	0	43	-1.0	-57.63	360.36	6.52	-51.11
CC(COC1CCCC1)CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615421	0	52	-1.0	-60.89	410.13	8.58	-52.31
COCC(C)CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615422	0	42	-1.0	-61.54	343.33	5.53	-56.01
CCOCC(C)CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615423	0	45	-1.0	-61.55	365.18	6.51	-55.04
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007615424	0	44	-1.0	-51.96	366.85	4.99	-46.97
COC1=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007615425	0	42	-1.0	-53.86	365.38	7.92	-45.94
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615426	0	42	-1.0	-53.02	353.96	8.54	-44.48
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615427	0	42	-1.0	-50.05	356.37	8.79	-41.26
CC1=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007615428	0	42	-1.0	-54.29	364.28	8.69	-45.60
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615429	0	45	-1.0	-51.99	357.75	9.10	-42.89
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCCN1CCOCC1	REAL300007615430	0	48	-1.0	-61.88	382.89	4.19	-57.69
CCOC1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615431	0	43	-1.0	-62.30	361.21	7.40	-54.90
COCCN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300007615432	0	43	-1.0	-48.76	368.56	4.85	-43.91
CC(C)(C)CCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615433	0	44	-1.0	-48.41	350.07	7.37	-41.04
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007615434	0	43	-1.0	-62.87	373.66	7.77	-55.10
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007615435	0	44	-1.0	-62.18	382.79	9.39	-52.79
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007615436	0	41	-1.0	-52.20	349.98	7.60	-44.60
CC1CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300007615437	0	41	-1.0	-50.52	333.36	6.16	-44.36
COCC1=CC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615438	0	43	-1.0	-50.13	348.50	6.90	-43.23
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007615439	0	39	-1.0	-54.62	352.76	6.30	-48.32
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007615440	0	39	-1.0	-50.96	347.88	6.09	-44.87
CC1(C)CC2=CC(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])=CC=C2O1	REAL300007615441	0	47	-1.0	-51.52	386.26	8.48	-43.04
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007615442	0	39	-1.0	-65.00	346.67	6.31	-58.69
CSC1=CC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615443	0	40	-1.0	-51.23	331.30	7.79	-43.44
CCC1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615444	0	42	-1.0	-58.98	352.75	8.61	-50.37
CCC1=CC=C(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615445	0	45	-1.0	-50.86	376.15	9.35	-41.51
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1=CC=CS1	REAL300007615446	0	39	-1.0	-48.51	344.99	7.78	-40.73
CC1=CC=C(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1C	REAL300007615447	0	45	-1.0	-62.43	372.16	9.17	-53.26
CC(C)CN(C)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615448	0	43	-1.0	-58.53	341.24	6.83	-51.70
CN(C1CCCC1)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615449	0	44	-1.0	-58.15	347.94	6.99	-51.16
CCCN(C)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615450	0	40	-1.0	-55.92	321.72	5.75	-50.17
CC1(C)CN(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CCO1	REAL300007615451	0	45	-1.0	-49.56	355.64	5.39	-44.17
CC1=NOC(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615452	0	38	-1.0	-60.86	329.90	6.10	-54.76
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])=CC=C21	REAL300007615453	0	48	-1.0	-59.15	400.58	8.71	-50.44
CCS(=O)(=O)NCCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615454	0	43	-1.0	-56.61	373.35	1.93	-54.68
CC1=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007615455	0	42	-1.0	-58.62	362.58	8.48	-50.14
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1CCCO1	REAL300007615456	0	43	-1.0	-62.27	351.14	6.06	-56.21
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007615457	0	42	-1.0	-60.01	370.29	9.01	-51.00
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007615458	0	47	-1.0	-50.94	390.65	8.53	-42.41
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1N(C)C	REAL300007615459	0	47	-1.0	-57.72	384.47	7.83	-49.89
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007615460	0	41	-1.0	-52.22	342.88	4.24	-47.98
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCOCC1CCCC1	REAL300007615461	0	49	-1.0	-57.47	394.05	7.68	-49.79
COC1=CC(C)=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1Cl	REAL300007615462	0	43	-1.0	-49.54	361.98	7.50	-42.04
CSC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1Cl	REAL300007615463	0	40	-1.0	-54.93	365.08	8.65	-46.28
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615464	0	48	-1.0	-51.08	381.45	7.70	-43.38
COC(C)CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615465	0	39	-1.0	-63.49	325.49	5.14	-58.35
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007615466	0	44	-1.0	-52.94	379.95	5.79	-47.15
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C=C12	REAL300007615467	0	43	-1.0	-52.48	371.10	4.89	-47.59
CN1N=CC2=CC(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])=CN=C21	REAL300007615468	0	41	-1.0	-53.50	353.17	6.36	-47.14
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007615469	0	43	-1.0	-69.35	355.63	7.21	-62.14
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007615470	0	45	-1.0	-69.95	373.08	10.86	-59.09
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C)=C1F	REAL300007615471	0	43	-1.0	-46.54	353.04	7.17	-39.37
CC1(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CCCCC1	REAL300007615472	0	48	-1.0	-47.83	358.65	8.74	-39.09
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007615473	0	45	-1.0	-57.94	369.67	8.60	-49.34
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007615474	0	44	-1.0	-54.79	378.73	8.51	-46.28
CN1N=NC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615475	0	35	-1.0	-46.78	302.22	3.70	-43.08
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615476	0	43	-1.0	-50.18	380.61	7.47	-42.71
CC1=CC=C(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(F)=C1	REAL300007615477	0	42	-1.0	-61.59	359.79	8.64	-52.95
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615478	0	48	0.0	-89.26	387.71	9.13	-80.13
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007615479	0	36	-1.0	-47.57	341.45	7.42	-40.15
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007615480	0	49	-1.0	-61.43	398.05	10.51	-50.92
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=NO1	REAL300007615481	0	47	-1.0	-60.90	391.19	7.95	-52.95
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1CCC1	REAL300007615482	0	42	-1.0	-48.20	343.08	7.74	-40.46
CC(C)(C)CCCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615483	0	47	-1.0	-60.30	371.38	8.16	-52.14
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007615484	0	45	-1.0	-56.51	370.83	4.37	-52.14
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007615485	0	39	-1.0	-57.45	346.03	7.64	-49.81
CC1=C(CCS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])SC=N1	REAL300007615486	0	41	-1.0	-50.11	358.73	6.43	-43.68
COCC1(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300007615487	0	40	-1.0	-46.78	325.99	6.77	-40.01
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007615488	0	46	-1.0	-49.82	358.15	8.59	-41.23
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1CC(F)(F)C1	REAL300007615489	0	39	-1.0	-46.67	334.83	7.14	-39.53
COC1=CC=C2C=C(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])CCC2=C1	REAL300007615490	0	48	-1.0	-58.95	393.27	8.94	-50.01
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007615491	0	49	-1.0	-49.76	366.92	9.19	-40.57
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1CCOC1	REAL300007615492	0	43	-1.0	-61.39	349.85	5.75	-55.64
CC(C)(CCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])S(C)(=O)=O	REAL300007615493	0	47	-1.0	-59.76	382.74	4.30	-55.46
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007615494	0	45	-1.0	-58.70	361.54	8.42	-50.28
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007615495	0	43	-1.0	-59.81	360.57	9.30	-50.51
CN1C=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300007615496	0	36	-1.0	-58.91	313.67	4.78	-54.13
CCC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007615497	0	44	-1.0	-46.75	371.20	9.08	-37.67
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CC(C)C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615522	0	45	-1.0	-58.06	369.53	9.14	-48.92
CCCC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615523	0	45	-1.0	-58.23	373.69	9.43	-48.80
COC1=CC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615524	0	40	-1.0	-62.85	332.50	7.07	-55.78
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COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1OC	REAL300007615533	0	44	-1.0	-57.82	368.58	6.38	-51.44
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CC1CC(C)CN(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300007615555	0	47	-1.0	-49.67	364.42	7.73	-41.94
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CC1=CC=C(F)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615558	0	39	-1.0	-51.41	324.75	7.89	-43.52
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COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615560	0	40	-1.0	-46.95	345.97	7.71	-39.24
COC1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615561	0	40	-1.0	-62.29	339.36	6.47	-55.82
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615562	0	51	-1.0	-57.79	399.73	10.00	-47.79
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1Cl	REAL300007615563	0	39	-1.0	-58.91	345.32	8.28	-50.63
CC(C)OC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615564	0	46	-1.0	-57.13	378.56	8.07	-49.06
CCC1=CC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615565	0	42	-1.0	-60.36	338.31	8.84	-51.52
CC1=CC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615566	0	39	-1.0	-58.44	314.71	7.50	-50.94
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COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615571	0	42	-1.0	-55.44	360.73	7.76	-47.68
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1F	REAL300007615572	0	40	-1.0	-55.45	345.58	6.55	-48.90
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1F	REAL300007615573	0	39	-1.0	-59.58	336.58	7.88	-51.70
CC1=CC=C(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615574	0	42	-1.0	-51.09	354.66	8.58	-42.51
CN1C=NC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615575	0	36	-1.0	-62.10	313.87	6.26	-55.84
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CC1CCCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615577	0	44	-1.0	-48.85	334.71	6.85	-42.00
CC(C)N(C)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615578	0	40	-1.0	-57.91	324.74	5.80	-52.11
CCCN(CCC)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615579	0	46	-1.0	-58.02	368.11	7.51	-50.51
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C2=CC=CC=C12	REAL300007615580	0	46	-1.0	-54.51	368.56	8.46	-46.05
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615581	0	41	-1.0	-51.51	343.13	8.18	-43.33
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615582	0	41	-1.0	-47.65	340.26	8.17	-39.48
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615583	0	44	-1.0	-58.61	366.73	9.50	-49.11
CC(C)CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615584	0	48	-1.0	-58.29	390.49	9.90	-48.39
COCCC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615585	0	46	-1.0	-58.29	385.86	7.72	-50.57
COCCN(CCOC)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615586	0	48	-1.0	-65.23	377.39	4.93	-60.30
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615587	0	39	-1.0	-49.71	335.08	8.33	-41.38
COC1=C(C)C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1C	REAL300007615588	0	46	-1.0	-52.02	382.39	8.12	-43.90
CC(C)COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615589	0	49	-1.0	-57.50	402.25	8.94	-48.56
CCCOC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615590	0	46	-1.0	-57.50	382.14	8.25	-49.25
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1Cl	REAL300007615591	0	40	-1.0	-55.46	355.39	7.03	-48.43
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1C	REAL300007615592	0	43	-1.0	-50.80	358.37	7.28	-43.52
CC1=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CC=C1OC(C)C	REAL300007615593	0	49	-1.0	-58.51	399.22	8.77	-49.74
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C)=C1	REAL300007615594	0	43	-1.0	-57.01	344.41	6.84	-50.17
COCCOC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615595	0	47	-1.0	-60.45	394.27	6.72	-53.73
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CCN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300007615646	0	39	-1.0	-54.32	334.89	5.80	-48.52
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CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615652	0	48	-1.0	-57.62	357.24	9.52	-48.10
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CC1=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007615672	0	41	-1.0	-52.96	354.10	8.36	-44.60
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CC1=NN(C)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615675	0	39	-1.0	-58.42	326.50	5.35	-53.07
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COC1=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])SC=C1	REAL300007615681	0	37	-1.0	-55.57	329.79	6.19	-49.38
C=CCCCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615682	0	39	-1.0	-60.36	328.96	7.03	-53.33
CN(C)C1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615683	0	44	-1.0	-60.77	362.35	7.59	-53.18
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CN1CCCC2=CC=C(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C=C21	REAL300007615689	0	48	-1.0	-59.02	384.07	7.73	-51.29
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COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615691	0	44	-1.0	-67.94	363.26	7.71	-60.23
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615692	0	44	-1.0	-56.62	360.12	8.72	-47.90
CC1=CC=C(C)C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007615693	0	44	-1.0	-63.36	362.51	10.37	-52.99
CC1=CC(C)=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007615694	0	44	-1.0	-56.49	365.52	9.08	-47.41
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COC1=CN=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615696	0	39	-1.0	-57.13	334.43	4.64	-52.49
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CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615736	0	49	-1.0	-62.47	399.89	8.84	-53.63
COC(CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CCCC1	REAL300007615737	0	49	-1.0	-62.44	383.25	7.32	-55.12
COC(CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CCCCC1	REAL300007615738	0	52	-1.0	-62.56	401.01	8.22	-54.34
CC1(C)CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CO1	REAL300007615739	0	43	-1.0	-49.98	344.53	5.65	-44.33
CCOC(CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CC1	REAL300007615740	0	46	-1.0	-61.02	378.81	7.41	-53.61
CCC1=NC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CN1CC1CC1	REAL300007615741	0	49	-1.0	-54.87	402.94	9.03	-45.84
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007615742	0	39	-1.0	-49.89	348.63	6.74	-43.15
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007615743	0	44	-1.0	-44.91	367.11	9.36	-35.55
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615744	0	43	-1.0	-54.63	354.31	7.00	-47.63
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615745	0	39	-1.0	-45.94	343.80	5.56	-40.38
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007615746	0	46	-1.0	-63.34	364.75	10.19	-53.15
CCC1=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C(C)C=C1OC	REAL300007615747	0	49	-1.0	-51.39	389.51	8.60	-42.79
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300007615748	0	38	-1.0	-69.57	333.43	5.99	-63.58
CC1=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007615749	0	45	-1.0	-57.18	358.27	10.24	-46.94
CC(C)OC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300007615750	0	45	-1.0	-54.31	379.02	5.72	-48.59
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615751	0	40	-1.0	-55.31	334.55	7.50	-47.81
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1F	REAL300007615752	0	48	-1.0	-58.72	388.08	9.43	-49.29
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615753	0	46	-1.0	-52.33	366.97	7.26	-45.07
CN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007615754	0	48	-1.0	-49.08	377.77	7.49	-41.59
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007615755	0	46	-1.0	-49.88	376.29	7.59	-42.29
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615756	0	39	-1.0	-50.71	331.78	5.78	-44.93
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615757	0	43	-1.0	-63.49	367.64	7.36	-56.13
C=CCCC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615758	0	46	-1.0	-58.41	386.50	9.99	-48.42
CCC1=NN(C)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615759	0	42	-1.0	-51.91	346.85	6.11	-45.80
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007615760	0	40	-1.0	-57.43	357.92	8.92	-48.51
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615761	0	42	-1.0	-53.97	344.38	8.99	-44.98
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCCC1CC1	REAL300007615762	0	42	-1.0	-60.44	347.67	8.04	-52.40
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007615763	0	40	-1.0	-60.40	355.42	8.83	-51.57
CCCC1=CC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615764	0	45	-1.0	-61.04	359.84	9.62	-51.42
COC1=NC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615765	0	39	-1.0	-53.51	327.52	4.58	-48.93
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007615766	0	41	-1.0	-61.02	335.30	7.21	-53.81
CC1=NC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])N1C	REAL300007615767	0	39	-1.0	-55.77	321.77	5.92	-49.85
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC=N1	REAL300007615768	0	35	-1.0	-60.19	305.68	5.28	-54.91
CC1=CSC(C)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615769	0	39	-1.0	-47.86	329.72	7.86	-40.00
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007615770	0	43	-1.0	-56.04	359.75	6.85	-49.19
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007615771	0	43	-1.0	-47.39	349.35	6.84	-40.55
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007615772	0	46	-1.0	-47.09	370.39	7.54	-39.55
CC1(C)COC2=C(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C=NN2C1	REAL300007615773	0	47	-1.0	-52.44	381.02	5.33	-47.11
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007615774	0	43	-1.0	-59.30	351.37	7.27	-52.03
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615775	0	46	-1.0	-46.93	371.05	8.81	-38.12
CC1CC2=CC=CC(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])=C2O1	REAL300007615776	0	44	-1.0	-66.08	363.65	7.90	-58.18
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300007615777	0	44	-1.0	-50.00	377.55	6.90	-43.10
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615778	0	41	-1.0	-63.17	349.48	6.85	-56.32
CCN1N=NC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615779	0	38	-1.0	-52.87	322.31	4.44	-48.43
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007615780	0	45	-1.0	-50.50	354.86	7.12	-43.38
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007615781	0	37	-1.0	-44.32	323.70	6.03	-38.29
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007615782	0	39	-1.0	-55.08	347.65	8.67	-46.41
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615783	0	43	-1.0	-52.92	360.20	6.98	-45.94
CC1=CC(C)=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C)=C1F	REAL300007615784	0	45	-1.0	-47.08	354.40	9.20	-37.88
COC1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1OC	REAL300007615785	0	44	-1.0	-57.69	357.73	7.16	-50.53
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007615786	0	39	-1.0	-54.16	332.55	7.31	-46.85
CN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C2CCCC2)=N1	REAL300007615787	0	49	-1.0	-52.52	391.77	7.92	-44.60
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615788	0	48	-1.0	-51.34	385.39	7.76	-43.58
CCCCN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C)=N1	REAL300007615789	0	48	-1.0	-52.53	385.21	7.65	-44.88
CN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C2CC2)=N1	REAL300007615790	0	43	-1.0	-59.82	360.27	6.77	-53.05
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007615791	0	40	-1.0	-57.92	348.54	6.80	-51.12
CN1N=NC2=C(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C=CC=C21	REAL300007615792	0	41	-1.0	-75.11	351.20	5.71	-69.40
CC1(C)CCCN(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300007615793	0	47	-1.0	-58.61	363.72	7.60	-51.01
CN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C2CCC2)=N1	REAL300007615794	0	46	-1.0	-59.28	371.88	7.28	-52.00
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007615795	0	46	-1.0	-56.19	383.85	7.82	-48.37
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007615796	0	40	-1.0	-61.79	346.76	8.15	-53.64
COC1=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007615797	0	45	-1.0	-67.50	374.33	8.41	-59.09
CCCC1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615798	0	45	-1.0	-59.89	374.24	9.39	-50.50
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615799	0	43	-1.0	-55.76	354.51	6.74	-49.02
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007615800	0	42	-1.0	-57.97	338.13	6.54	-51.43
CC1=CC=CC(C)=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615801	0	42	-1.0	-58.39	327.07	8.48	-49.91
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615802	0	45	-1.0	-48.11	349.80	6.74	-41.37
CC(C)(C)N1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300007615803	0	45	-1.0	-54.71	373.32	6.95	-47.76
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007615804	0	43	-1.0	-49.64	339.64	5.66	-43.98
CC1=NN(C)C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615805	0	39	-1.0	-47.31	324.37	5.16	-42.15
CC1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1C	REAL300007615806	0	42	-1.0	-50.69	336.10	8.37	-42.32
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615807	0	47	-1.0	-71.10	394.43	9.21	-61.89
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007615808	0	47	-1.0	-58.16	377.28	10.20	-47.96
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007615809	0	42	-1.0	-51.39	351.30	7.67	-43.72
CN(C1CCC1)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615810	0	41	-1.0	-58.33	329.35	6.35	-51.98
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007615811	0	43	-1.0	-63.49	362.39	5.56	-57.93
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)N1CCC(F)(F)CC1	REAL300007615812	0	40	-1.0	-44.87	309.45	8.93	-35.94
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007615813	0	36	-1.0	-47.13	326.83	7.25	-39.88
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007615814	0	43	-1.0	-52.59	358.03	9.34	-43.25
COC1=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=CS1	REAL300007615815	0	37	-1.0	-49.13	326.45	5.82	-43.31
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007615816	0	46	-1.0	-50.50	372.59	7.79	-42.71
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615817	0	45	-1.0	-51.19	368.47	7.02	-44.17
CN(C(C)(C)C)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615818	0	43	-1.0	-57.34	327.17	6.09	-51.25
CCC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])O1	REAL300007615819	0	39	-1.0	-54.10	334.90	6.84	-47.26
CN(C1CCCCCC1)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615820	0	50	-1.0	-59.48	378.54	8.19	-51.29
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615821	0	42	-1.0	-60.79	363.08	8.71	-52.08
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007615822	0	40	-1.0	-59.99	349.12	6.76	-53.23
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300007615823	0	37	-1.0	-49.99	332.67	5.68	-44.31
CC1=CC(C)=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C2=NC=CC=C12	REAL300007615824	0	47	-1.0	-59.09	372.88	9.21	-49.88
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007615825	0	44	-1.0	-56.62	360.95	7.15	-49.47
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007615826	0	39	-1.0	-47.43	341.48	5.94	-41.49
CCOCC1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615827	0	46	-1.0	-61.54	386.77	7.86	-53.68
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615828	0	46	-1.0	-51.44	381.86	8.14	-43.30
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007615829	0	49	-1.0	-50.01	395.20	8.18	-41.83
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007615830	0	39	-1.0	-63.34	326.45	8.12	-55.22
CC1=CN=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615831	0	38	-1.0	-56.11	326.30	6.03	-50.08
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C2=CC=CC=C12	REAL300007615832	0	45	-1.0	-55.94	357.93	9.64	-46.30
CN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007615833	0	46	-1.0	-52.67	374.70	8.29	-44.38
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CC2CC1C2	REAL300007615834	0	39	-1.0	-52.08	321.34	6.06	-46.02
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007615835	0	40	-1.0	-48.49	347.81	8.42	-40.07
CCOCCCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615836	0	42	-1.0	-61.60	350.18	5.73	-55.87
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007615837	0	41	-1.0	-66.91	353.15	1.11	-65.80
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007615838	0	39	-1.0	-58.93	327.96	7.35	-51.58
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007615839	0	42	-1.0	-59.21	339.60	7.48	-51.73
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007615840	0	38	-1.0	-56.33	339.75	6.63	-49.70
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCOC1CCOC1	REAL300007615841	0	44	-1.0	-58.69	364.11	4.40	-54.29
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1COCCO1	REAL300007615842	0	41	-1.0	-63.50	338.25	4.53	-58.97
CC1=NC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007615843	0	45	-1.0	-61.14	385.38	6.27	-54.87
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007615844	0	53	-1.0	-62.91	386.21	10.09	-52.82
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CCN1C=NN=N1	REAL300007615845	0	37	-1.0	-61.01	323.99	5.09	-55.92
CC1(C)COC(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300007615846	0	46	-1.0	-63.52	369.46	6.69	-56.83
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007615847	0	39	-1.0	-68.64	339.41	2.93	-65.71
CC(C)(CS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C(C)(F)F	REAL300007615848	0	44	-1.0	-52.70	348.49	7.64	-45.06
CS(=O)(=O)CCCCS(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615849	0	44	-1.0	-69.90	379.79	4.03	-65.87
CC1(C)CCC(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])OC1	REAL300007615850	0	49	-1.0	-64.32	384.03	7.35	-56.97
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007615851	0	46	-1.0	-60.04	379.84	9.51	-50.53
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007615852	0	40	-1.0	-63.62	357.29	6.26	-57.36
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007615853	0	45	-1.0	-51.20	361.55	5.18	-46.02
COCCC1(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300007615854	0	43	-1.0	-52.96	348.31	6.15	-46.81
CCN1N=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300007615855	0	38	-1.0	-50.80	329.53	4.09	-46.71
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007615856	0	49	-1.0	-48.51	376.36	9.24	-39.27
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007615857	0	40	-1.0	-52.44	352.70	8.54	-43.90
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300007615858	0	47	-1.0	-58.11	383.89	8.17	-49.94
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615859	0	41	-1.0	-50.20	337.10	4.08	-46.12
CC1=COC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615860	0	36	-1.0	-53.11	313.40	5.91	-47.20
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])O1	REAL300007615861	0	36	-1.0	-54.14	313.42	6.06	-48.08
CCC1=NNC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615862	0	39	-1.0	-50.05	324.65	4.74	-45.31
COC1=CSC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1OC	REAL300007615863	0	41	-1.0	-47.11	351.67	5.54	-41.57
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007615864	0	48	-1.0	-50.75	369.91	7.63	-43.12
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615865	0	47	-1.0	-60.23	390.03	9.07	-51.16
COC1=CC(F)=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(F)=C1	REAL300007615866	0	40	-1.0	-61.16	347.26	6.80	-54.36
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615867	0	42	-1.0	-54.64	352.28	7.23	-47.41
CN1C=CC2=CC(S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])=CC=C21	REAL300007615868	0	43	-1.0	-57.97	362.51	9.00	-48.97
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615869	0	42	-1.0	-70.34	345.42	8.88	-61.46
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615870	0	47	-1.0	-63.15	393.19	8.79	-54.36
CCN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C2CC2)=N1	REAL300007615871	0	46	-1.0	-59.41	374.98	7.47	-51.94
CC1=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C2=NSN=C2C=C1	REAL300007615872	0	40	-1.0	-59.82	343.00	6.27	-53.55
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007615873	0	35	-1.0	-54.86	336.15	5.22	-49.64
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615874	0	49	-1.0	-48.36	388.78	8.15	-40.21
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=C(Cl)OC=C1	REAL300007615875	0	33	-1.0	-49.13	299.27	5.46	-43.67
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007615876	0	33	-1.0	-45.98	317.70	6.74	-39.24
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615877	0	44	-1.0	-54.64	358.44	4.87	-49.77
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007615878	0	43	-1.0	-63.65	350.45	9.23	-54.42
CC1(C)CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300007615879	0	47	-1.0	-56.88	357.94	7.13	-49.75
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615880	0	39	-1.0	-56.34	347.08	4.96	-51.38
COC1=NC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1C	REAL300007615881	0	42	-1.0	-56.08	357.16	4.58	-51.50
CC(C)CN1C=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300007615882	0	45	-1.0	-54.11	376.20	7.34	-46.77
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615883	0	45	-1.0	-52.37	360.88	6.62	-45.75
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007615884	0	46	-1.0	-46.73	368.64	4.95	-41.78
COCC1=CC(CS(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=NO1	REAL300007615885	0	42	-1.0	-63.69	363.66	5.10	-58.59
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])N=C1	REAL300007615886	0	47	-1.0	-57.92	382.26	7.55	-50.37
CC(C)N1N=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615887	0	42	-1.0	-50.90	350.24	6.39	-44.51
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007615888	0	43	-1.0	-53.50	354.10	7.38	-46.12
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007615889	0	43	-1.0	-51.54	357.19	8.02	-43.52
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007615890	0	38	-1.0	-58.66	339.94	6.17	-52.49
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007615891	0	41	-1.0	-62.00	344.35	7.59	-54.41
CC1=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=NN1C(C)C	REAL300007615892	0	45	-1.0	-53.23	369.52	6.96	-46.27
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007615893	0	41	-1.0	-66.81	343.49	7.53	-59.28
CC1=CN=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C)=C1	REAL300007615894	0	41	-1.0	-65.36	338.45	6.56	-58.80
CC1=CN=CC=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615895	0	38	-1.0	-47.41	314.39	6.00	-41.41
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615896	0	44	-1.0	-51.17	363.24	2.86	-48.31
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007615897	0	43	-1.0	-50.78	340.66	5.27	-45.51
N#CC1CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300007615898	0	42	-1.0	-59.70	343.73	6.52	-53.18
COC1=CC=NC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615899	0	39	-1.0	-61.05	335.45	4.58	-56.47
C=CCN(CC=C)S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615900	0	42	-1.0	-56.79	354.19	7.29	-49.50
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(C(F)F)=C1	REAL300007615901	0	43	-1.0	-54.13	355.73	7.55	-46.58
COC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])N=C1	REAL300007615902	0	39	-1.0	-55.63	334.24	4.60	-51.03
CC1=CC=CN=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615903	0	38	-1.0	-60.57	316.51	5.92	-54.65
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007615904	0	41	-1.0	-58.25	335.45	7.15	-51.10
CCOC1=CC=CN=C1S(=O)(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300007615905	0	42	-1.0	-66.56	354.59	6.46	-60.10
CC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C2=NC=CC=C12	REAL300007615906	0	44	-1.0	-59.51	358.30	8.81	-50.70
CC1=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CC=N1	REAL300007615907	0	38	-1.0	-55.61	326.64	6.01	-49.60
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007615908	0	40	-1.0	-58.48	336.04	6.97	-51.51
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)N1CCC(F)(F)C1	REAL300007615909	0	38	-1.0	-57.10	326.69	5.64	-51.46
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CN=CS1	REAL300007615910	0	32	-1.0	-47.90	295.38	4.36	-43.54
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007615911	0	38	-1.0	-56.06	337.17	6.22	-49.84
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300007615912	0	49	-1.0	-51.22	386.12	9.41	-41.81
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007615913	0	41	-1.0	-44.94	344.77	6.31	-38.63
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615914	0	32	-1.0	-40.94	298.21	5.14	-35.80
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C1CC1	REAL300007615915	0	33	-1.0	-43.65	290.15	4.18	-39.47
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007615916	0	35	-1.0	-46.87	326.81	1.24	-45.63
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C1CC1	REAL300007615917	0	33	-1.0	-50.90	307.87	3.38	-47.52
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1OC	REAL300007615918	0	40	-1.0	-45.55	335.54	3.72	-41.83
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615919	0	32	-1.0	-40.21	294.17	5.05	-35.16
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C1CC1	REAL300007615920	0	45	-1.0	-45.20	367.96	7.53	-37.67
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1CC1	REAL300007615921	0	35	-1.0	-47.55	310.60	2.87	-44.68
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1Br)C1CC1	REAL300007615922	0	29	-1.0	-44.03	280.84	4.43	-39.60
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Br)=C1)C1CC1	REAL300007615923	0	29	-1.0	-52.32	283.18	4.21	-48.11
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615924	0	34	-1.0	-60.28	296.45	6.00	-54.28
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1CC1	REAL300007615925	0	35	-1.0	-55.53	321.59	5.56	-49.97
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615926	0	39	-1.0	-66.22	342.88	0.10	-66.12
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007615927	0	40	-1.0	-42.88	344.29	5.44	-37.44
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1CC1	REAL300007615928	0	35	-1.0	-44.67	303.61	4.02	-40.65
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300007615929	0	35	-1.0	-44.99	315.15	1.35	-43.64
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007615930	0	38	-1.0	-54.00	346.87	1.81	-52.19
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1C	REAL300007615931	0	39	-1.0	-44.62	323.44	4.46	-40.16
O=C([O-])C(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C1CC1	REAL300007615932	0	34	-1.0	-58.22	320.67	4.07	-54.15
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Br)C=C1)C1CC1	REAL300007615933	0	32	-1.0	-57.00	306.80	4.93	-52.07
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1CC1	REAL300007615934	0	34	-1.0	-49.75	307.08	4.12	-45.63
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007615935	0	46	-1.0	-43.07	399.85	2.79	-40.28
CS(=O)(=O)N1CCN(S(=O)(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300007615936	0	39	-1.0	-59.76	330.53	-0.87	-60.63
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=NN1C1=CC=CC=N1	REAL300007615937	0	38	-1.0	-58.37	336.36	4.96	-53.41
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300007615938	0	38	-1.0	-48.75	321.68	3.56	-45.19
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007615939	0	38	-1.0	-49.46	330.67	4.98	-44.48
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615940	0	41	-1.0	-46.27	313.48	5.98	-40.29
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C1CC1	REAL300007615941	0	42	-1.0	-59.93	367.28	6.60	-53.33
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007615942	0	37	-1.0	-69.11	326.17	2.94	-66.17
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C1CC1	REAL300007615943	0	35	-1.0	-41.14	324.95	4.65	-36.49
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1OC	REAL300007615944	0	37	-1.0	-53.56	332.69	3.38	-50.18
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(OC)C=C1Br	REAL300007615945	0	37	-1.0	-44.21	336.75	3.37	-40.84
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300007615946	0	32	-1.0	-43.02	305.62	4.92	-38.10
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C1CC1	REAL300007615947	0	35	-1.0	-45.66	321.73	6.49	-39.17
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C1CC1	REAL300007615948	0	34	-1.0	-48.34	314.62	5.81	-42.53
COCCOC1=C(Cl)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300007615949	0	40	-1.0	-51.00	382.82	4.31	-46.69
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C1CC1	REAL300007615950	0	33	-1.0	-46.27	311.59	3.37	-42.90
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C1CC1	REAL300007615951	0	36	-1.0	-47.53	327.92	4.87	-42.66
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615952	0	44	-1.0	-46.26	355.00	4.60	-41.66
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1CC1	REAL300007615953	0	32	-1.0	-43.64	294.02	4.49	-39.15
COCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007615954	0	40	-1.0	-60.80	344.26	3.09	-57.71
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)O1	REAL300007629001	0	39	-1.0	-52.10	346.11	6.35	-45.75
O=C([O-])CCCS(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629002	0	38	-1.0	-51.21	329.16	6.16	-45.05
O=C([O-])C1CCCN1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629003	0	41	-1.0	-58.29	342.77	6.66	-51.63
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1	REAL300007629004	0	42	-1.0	-58.66	366.40	8.27	-50.39
O=C([O-])C1CCN(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)CC1	REAL300007629005	0	44	-1.0	-46.27	361.63	6.71	-39.56
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629006	0	42	-1.0	-58.70	366.95	8.26	-50.44
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)O1	REAL300007629007	0	36	-1.0	-52.18	327.86	5.88	-46.30
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1	REAL300007629008	0	43	-1.0	-49.35	374.20	7.79	-41.56
O=C([O-])CCCS(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629009	0	38	-1.0	-51.21	329.16	6.16	-45.05
O=C([O-])C1=CSC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629010	0	36	-1.0	-51.29	336.30	6.54	-44.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1C	REAL300007629011	0	45	-1.0	-57.94	364.46	8.38	-49.56
CC1=CC=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1C(=O)[O-]	REAL300007629012	0	42	-1.0	-69.23	354.36	8.33	-60.90
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629013	0	46	-1.0	-53.69	397.68	7.25	-46.44
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=CS1	REAL300007629014	0	36	-1.0	-52.72	334.77	6.56	-46.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629015	0	42	-1.0	-52.09	341.30	7.68	-44.41
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1	REAL300007629016	0	42	-1.0	-49.59	365.29	8.29	-41.30
O=C([O-])C1=COC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629017	0	36	-1.0	-51.44	328.12	5.64	-45.80
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629018	0	42	-1.0	-52.27	364.81	8.32	-43.95
CC1=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C(C(=O)[O-])O1	REAL300007629019	0	39	-1.0	-53.86	340.79	6.49	-47.37
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629020	0	38	-1.0	-48.87	338.28	5.71	-43.16
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629021	0	35	-1.0	-67.72	323.50	5.72	-62.00
O=C([O-])C1=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)SC=N1	REAL300007629022	0	35	-1.0	-67.37	325.09	5.35	-62.02
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629023	0	38	-1.0	-71.73	331.89	6.95	-64.78
O=C([O-])CCCCCS(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629024	0	44	-1.0	-52.14	372.16	7.72	-44.42
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=N1	REAL300007629025	0	38	-1.0	-52.95	338.98	5.72	-47.23
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629026	0	39	-1.0	-47.08	359.35	8.05	-39.03
COC1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1C(=O)[O-]	REAL300007629027	0	43	-1.0	-60.00	370.40	7.59	-52.41
CC1=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=CC=C1C(=O)[O-]	REAL300007629028	0	42	-1.0	-50.02	359.13	8.05	-41.97
CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629029	0	40	-1.0	-46.44	338.81	5.60	-40.84
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629030	0	46	-1.0	-53.69	397.68	7.25	-46.44
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629031	0	39	-1.0	-47.08	359.35	8.05	-39.03
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629032	0	39	-1.0	-51.98	335.41	7.63	-44.35
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629033	0	42	-1.0	-51.43	360.68	8.28	-43.15
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1	REAL300007629034	0	42	-1.0	-58.66	366.40	8.27	-50.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629035	0	43	-1.0	-56.14	365.52	7.38	-48.76
CC1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1C(=O)[O-]	REAL300007629036	0	42	-1.0	-52.13	358.66	8.08	-44.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629037	0	42	-1.0	-56.55	346.47	7.79	-48.76
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629038	0	43	-1.0	-47.83	372.20	7.64	-40.19
O=C([O-])CC1(CS(=O)(=O)N2CCC(C3=CSC=C3)CC2)CC1	REAL300007629039	0	42	-1.0	-48.71	350.21	7.40	-41.31
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629040	0	42	-1.0	-52.27	364.81	8.32	-43.95
COC1=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)SC(C(=O)[O-])=C1	REAL300007629041	0	40	-1.0	-46.63	363.29	6.74	-39.89
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCC(C4=CSC=C4)CC3)=CC=C2O1	REAL300007629042	0	44	-1.0	-50.25	379.45	8.22	-42.03
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCC(C4=CSC=C4)CC3)C=C2)CC1	REAL300007629043	0	46	-1.0	-53.54	389.25	9.40	-44.14
CCC1=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C(C(=O)[O-])O1	REAL300007629044	0	42	-1.0	-53.02	361.05	7.16	-45.86
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629045	0	41	-1.0	-57.47	356.29	9.12	-48.35
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629046	0	41	-1.0	-50.69	351.22	8.93	-41.76
CC1=NC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1C(=O)[O-]	REAL300007629047	0	41	-1.0	-46.07	354.09	6.26	-39.81
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629048	0	43	-1.0	-50.40	365.59	7.40	-43.00
COC1=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=CC=C1C(=O)[O-]	REAL300007629049	0	43	-1.0	-56.11	370.38	7.60	-48.51
COC1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C(CC(=O)[O-])=C1	REAL300007629050	0	46	-1.0	-61.68	379.25	8.08	-53.60
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1F	REAL300007629051	0	42	-1.0	-51.76	370.70	8.32	-43.44
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1	REAL300007629052	0	48	-1.0	-50.42	396.24	9.14	-41.28
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629053	0	39	-1.0	-52.87	331.12	5.71	-47.16
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629054	0	39	-1.0	-53.29	345.84	6.48	-46.81
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=CC=C1Cl	REAL300007629055	0	39	-1.0	-52.37	355.62	7.90	-44.47
O=C([O-])C1=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)OC=C1	REAL300007629056	0	36	-1.0	-60.73	324.47	5.92	-54.81
O=C([O-])C1(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)CCC1	REAL300007629057	0	39	-1.0	-42.79	316.56	6.23	-36.56
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629058	0	43	-1.0	-61.92	357.65	7.76	-54.16
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629059	0	36	-1.0	-52.42	316.04	4.41	-48.01
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629060	0	39	-1.0	-52.87	331.12	5.71	-47.16
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1C(=O)[O-]	REAL300007629061	0	41	-2.0	-141.43	369.97	8.48	-132.95
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629062	0	46	-1.0	-54.84	379.88	7.12	-47.72
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629063	0	38	-1.0	-50.60	340.04	5.60	-45.00
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629064	0	42	-1.0	-57.47	356.14	8.66	-48.81
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C1	REAL300007629065	0	36	-1.0	-48.60	342.78	6.16	-42.44
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629066	0	46	-1.0	-55.73	387.38	8.30	-47.43
COC1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C(C(=O)[O-])=C1	REAL300007629067	0	43	-1.0	-65.35	357.50	7.72	-57.63
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=CC=N1	REAL300007629068	0	38	-1.0	-56.81	339.18	5.74	-51.07
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=NN1	REAL300007629069	0	36	-1.0	-46.13	326.58	3.78	-42.35
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629070	0	39	-1.0	-57.82	343.61	5.30	-52.52
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C1	REAL300007629071	0	39	-1.0	-51.96	333.71	6.68	-45.28
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C1	REAL300007629072	0	42	-1.0	-53.83	346.61	7.09	-46.74
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)S1	REAL300007629073	0	39	-1.0	-49.52	353.99	7.26	-42.26
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629074	0	42	-1.0	-60.79	349.78	8.79	-52.00
O=C([O-])C1=NC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=C2C=CC=CN12	REAL300007629075	0	42	-1.0	-69.47	369.46	6.16	-63.31
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCC(C4=CSC=C4)CC3)=C2C=C1	REAL300007629076	0	42	-1.0	-46.57	369.71	8.77	-37.80
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629077	0	39	-1.0	-53.63	339.80	6.87	-46.76
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629078	0	44	-1.0	-51.99	346.87	7.31	-44.68
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=NN1	REAL300007629079	0	36	-1.0	-46.13	326.58	3.78	-42.35
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629080	0	41	-1.0	-58.36	342.87	6.65	-51.71
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629081	0	36	-1.0	-52.42	316.04	4.41	-48.01
O=C([O-])C1=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C(Cl)S1	REAL300007629082	0	36	-1.0	-53.96	340.38	7.68	-46.28
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629083	0	39	-1.0	-61.39	324.84	7.36	-54.03
CC1=CC(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)=CN=C1C(=O)[O-]	REAL300007629084	0	41	-1.0	-50.93	355.02	6.30	-44.63
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629085	0	42	-1.0	-60.79	349.78	8.79	-52.00
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1C(=O)[O-]	REAL300007629086	0	46	-1.0	-60.51	392.25	8.50	-52.01
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCC(C4=CSC=C4)CC3)C=C2C1	REAL300007629087	0	46	-1.0	-48.52	388.06	9.44	-39.08
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC(C2=CSC=C2)CC1	REAL300007629088	0	38	-1.0	-57.13	323.87	6.61	-50.52
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007629089	0	45	-1.0	-50.56	362.47	5.71	-44.85
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007629090	0	45	-1.0	-52.41	362.67	5.78	-46.63
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300007629091	0	48	-1.0	-59.70	378.00	6.54	-53.16
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300007629092	0	49	-1.0	-57.47	392.39	5.53	-51.94
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300007629093	0	48	-1.0	-51.64	378.64	6.25	-45.39
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C=C1	REAL300007629094	0	42	-1.0	-47.53	346.36	5.54	-41.99
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007629095	0	45	-1.0	-52.41	362.67	5.78	-46.63
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007629096	0	45	-1.0	-50.56	362.47	5.71	-44.85
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300007629097	0	45	-1.0	-50.17	351.80	6.55	-43.62
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C=C1	REAL300007629098	0	43	-1.0	-53.32	350.28	3.51	-49.81
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C=C1	REAL300007629099	0	45	-1.0	-50.41	366.23	3.81	-46.60
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300007629100	0	42	-1.0	-50.20	352.95	4.77	-45.43
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1	REAL300007629101	0	42	-1.0	-52.21	340.15	3.01	-49.20
COC1=CC=C(CC(C)(C)NS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007629102	0	50	-1.0	-48.01	374.22	4.91	-43.10
COC1=CC=C(CC(C)(C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007629103	0	50	-1.0	-53.28	378.82	5.29	-47.99
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300007629104	0	45	-1.0	-50.17	351.80	6.55	-43.62
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C=C1	REAL300007629105	0	45	-1.0	-44.35	369.79	7.22	-37.13
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=C1	REAL300007629106	0	42	-1.0	-52.22	348.09	4.36	-47.86
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C=C1	REAL300007629107	0	45	-1.0	-50.97	366.33	4.81	-46.16
COC1=CC=C(CC(C)(C)NS(=O)(=O)CCCC(=O)[O-])C=C1	REAL300007629108	0	44	-1.0	-53.75	349.19	4.49	-49.26
COC1=CC=C(CC(C)(C)NS(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007629109	0	47	-1.0	-61.68	361.33	4.94	-56.74
COC1=CC=C(CC(C)(C)NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007629110	0	48	-1.0	-59.62	386.24	6.54	-53.08
COC1=CC=C(CC(C)(C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007629111	0	50	-1.0	-53.28	378.82	5.29	-47.99
COC1=CC=C(CC(C)(C)NS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007629112	0	48	-1.0	-61.75	386.94	6.59	-55.16
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=C1	REAL300007629113	0	42	-1.0	-52.22	348.09	4.36	-47.86
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300007629114	0	49	-1.0	-50.61	392.63	5.97	-44.64
COC1=CC=C(CC(C)(C)NS(=O)(=O)CCCC(=O)[O-])C=C1	REAL300007629115	0	44	-1.0	-53.75	349.19	4.49	-49.26
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300007629116	0	42	-1.0	-50.45	355.20	4.79	-45.66
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300007629117	0	51	-1.0	-60.92	395.43	7.09	-53.83
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300007629118	0	48	-1.0	-54.14	379.78	6.76	-47.38
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300007629119	0	42	-1.0	-54.08	351.51	4.73	-49.35
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300007629120	0	48	-1.0	-50.73	374.10	6.53	-44.20
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300007629121	0	48	-1.0	-50.40	383.27	6.47	-43.93
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C=C1	REAL300007629122	0	42	-1.0	-50.51	348.34	4.09	-46.42
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300007629123	0	48	-1.0	-52.24	384.76	6.48	-45.76
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300007629124	0	45	-1.0	-56.29	367.14	4.97	-51.32
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C=C1	REAL300007629125	0	44	-1.0	-47.29	356.69	3.87	-43.42
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1	REAL300007629126	0	41	-1.0	-51.27	340.82	4.04	-47.23
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C=C1	REAL300007629127	0	41	-1.0	-52.13	343.41	3.62	-48.51
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C=C1	REAL300007629128	0	44	-1.0	-53.67	348.49	4.76	-48.91
COC1=CC=C(CC(C)(C)NS(=O)(=O)CCCCCC(=O)[O-])C=C1	REAL300007629129	0	50	-1.0	-54.87	392.19	6.06	-48.81
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300007629130	0	44	-1.0	-52.83	357.39	3.87	-48.96
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C=C1	REAL300007629131	0	45	-1.0	-47.53	379.40	6.29	-41.24
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300007629132	0	49	-1.0	-58.95	388.87	5.75	-53.20
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300007629133	0	48	-1.0	-49.99	378.45	6.25	-43.74
COC1=CC=C(CC(C)(C)NS(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300007629134	0	46	-1.0	-47.10	354.92	4.34	-42.76
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C=C1	REAL300007629135	0	45	-1.0	-47.53	379.40	6.29	-41.24
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C=C1	REAL300007629136	0	45	-1.0	-49.52	358.67	6.21	-43.31
COC1=CC=C(CC(C)(C)NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007629137	0	48	-1.0	-59.62	386.24	6.54	-53.08
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300007629138	0	49	-1.0	-57.47	392.39	5.53	-51.94
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300007629139	0	48	-1.0	-51.64	378.64	6.25	-45.39
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300007629140	0	48	-1.0	-59.70	378.00	6.54	-53.16
COC1=CC=C(CC(C)(C)NS(=O)(=O)CC2(CC(=O)[O-])CC2)C=C1	REAL300007629141	0	48	-1.0	-48.74	373.25	5.74	-43.00
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300007629142	0	48	-1.0	-52.24	384.76	6.48	-45.76
COC1=C(S(=O)(=O)NC(C)(C)CC2=CC=C(OC)C=C2)SC(C(=O)[O-])=C1	REAL300007629143	0	46	-1.0	-49.83	381.84	4.09	-45.74
CCC1=C(S(=O)(=O)NC(C)(C)CC2=CC=C(OC)C=C2)C=C(C(=O)[O-])O1	REAL300007629144	0	48	-1.0	-55.15	387.70	5.67	-49.48
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C=C1	REAL300007629145	0	47	-1.0	-49.35	372.77	4.50	-44.85
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007629146	0	49	-1.0	-50.85	392.43	5.55	-45.30
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007629147	0	49	-1.0	-55.85	389.99	5.85	-50.00
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C=C1	REAL300007629148	0	48	-1.0	-51.89	390.25	6.60	-45.29
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=C1	REAL300007629149	0	45	-1.0	-50.21	355.11	4.18	-46.03
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007629150	0	45	-1.0	-53.19	366.08	4.95	-48.24
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300007629151	0	45	-1.0	-50.40	375.19	6.17	-44.23
COC1=CC=C(CC(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C=C1	REAL300007629152	0	42	-1.0	-53.14	341.47	4.79	-48.35
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CCC(CC)(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007629250	0	44	-1.0	-44.48	359.81	4.03	-40.45
CCC(CC)(CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=CC=C1	REAL300007629251	0	47	-1.0	-56.12	377.85	5.53	-50.59
CCC(CC)(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300007629252	0	47	-1.0	-52.90	366.31	6.95	-45.95
CCC(CC)(CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300007629253	0	50	-1.0	-54.31	383.48	7.50	-46.81
CCC(CC)(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300007629254	0	47	-1.0	-49.76	387.60	7.51	-42.25
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=CC=C1	REAL300007629255	0	50	-1.0	-56.39	388.75	8.96	-47.43
CCC(CC)(CNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300007629256	0	47	-1.0	-54.26	372.99	7.13	-47.13
CCC(CC)(CNS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300007629257	0	52	-1.0	-49.76	383.07	7.83	-41.93
CCC(CC)(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007629258	0	44	-1.0	-44.48	359.81	4.03	-40.45
CCC(CC)(CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300007629259	0	49	-1.0	-60.02	378.10	6.65	-53.37
CCC(CC)(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300007629260	0	44	-1.0	-52.13	352.45	4.82	-47.31
CCC(CC)(CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300007629261	0	47	-1.0	-57.21	356.69	7.53	-49.68
CCC(CC)(CNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C1=CC=CC=C1	REAL300007629262	0	49	-1.0	-51.64	389.01	6.54	-45.10
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=CC=C1	REAL300007629263	0	50	-1.0	-56.39	388.75	8.96	-47.43
CCC(CC)(CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300007629264	0	46	-1.0	-44.32	361.24	6.86	-37.46
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007629265	0	38	-1.0	-49.72	331.46	6.32	-43.40
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007629266	0	38	-1.0	-52.89	332.93	6.39	-46.50
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007629267	0	41	-1.0	-56.83	346.13	7.22	-49.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=CC=C1C	REAL300007629268	0	42	-1.0	-54.64	351.87	6.15	-48.49
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007629269	0	41	-1.0	-53.40	348.86	6.92	-46.48
CC1=CC=CC=C1CCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007629270	0	35	-1.0	-46.73	314.65	6.10	-40.63
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007629271	0	38	-1.0	-52.89	332.93	6.39	-46.50
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007629272	0	38	-1.0	-49.72	331.46	6.32	-43.40
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007629273	0	38	-1.0	-49.88	320.74	7.19	-42.69
CC1=CC=CC=C1CCNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007629274	0	36	-1.0	-52.13	321.37	4.12	-48.01
CC1=CC=CC=C1CCNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007629275	0	38	-1.0	-50.58	337.40	4.50	-46.08
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007629276	0	35	-1.0	-48.54	323.76	5.45	-43.09
CC1=CC=CC=C1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007629277	0	35	-1.0	-52.00	307.61	3.36	-48.64
CC1=CC=CC=C1CCNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007629278	0	43	-1.0	-48.09	346.94	5.33	-42.76
CC1=CC=CC=C1CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007629279	0	43	-1.0	-48.05	349.48	5.47	-42.58
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007629280	0	38	-1.0	-49.88	320.74	7.19	-42.69
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007629281	0	38	-1.0	-43.87	337.42	7.70	-36.17
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007629282	0	35	-1.0	-50.72	316.25	4.69	-46.03
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2=CC=CC=C2C)O1	REAL300007629283	0	38	-1.0	-50.24	334.51	5.14	-45.10
CC1=CC=CC=C1CCNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007629284	0	40	-1.0	-46.35	331.06	5.15	-41.20
CC1=CC=CC=C1CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007629285	0	41	-1.0	-58.05	355.27	7.04	-51.01
CC1=CC=CC=C1CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007629286	0	43	-1.0	-48.05	349.48	5.47	-42.58
CC1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007629287	0	41	-1.0	-60.21	355.30	7.03	-53.18
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007629288	0	35	-1.0	-50.72	316.25	4.69	-46.03
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007629289	0	42	-1.0	-49.11	362.55	6.60	-42.51
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCC1=CC=CC=C1C	REAL300007629290	0	42	-1.0	-45.96	370.53	7.31	-38.65
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007629291	0	35	-1.0	-49.86	324.68	5.34	-44.52
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007629292	0	44	-1.0	-58.48	364.43	7.67	-50.81
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300007629293	0	41	-1.0	-54.42	348.83	7.48	-46.94
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC=CC=C2C)=C1	REAL300007629294	0	45	-1.0	-54.97	387.91	6.10	-48.87
CC1=CC=CC=C1CCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007629295	0	35	-1.0	-52.17	323.14	5.34	-46.83
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007629296	0	41	-1.0	-42.37	359.52	8.19	-34.18
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300007629297	0	41	-1.0	-49.44	341.43	6.98	-42.46
CC1=CC=CC=C1CCNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007629298	0	41	-1.0	-52.18	359.06	8.64	-43.54
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007629299	0	41	-1.0	-49.60	353.65	7.10	-42.50
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300007629300	0	43	-1.0	-43.82	371.09	7.42	-36.40
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007629301	0	35	-1.0	-49.80	316.49	4.43	-45.37
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007629302	0	41	-1.0	-52.03	355.09	7.16	-44.87
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C)C=C(C(=O)[O-])O1	REAL300007629303	0	38	-1.0	-54.18	336.23	5.41	-48.77
CC1=CC=CC=C1CCNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007629304	0	37	-1.0	-47.35	326.65	4.51	-42.84
CC1=CC=CC=C1CCNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007629305	0	34	-1.0	-50.48	309.01	4.58	-45.90
CC1=CC=CC=C1CCNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007629306	0	34	-1.0	-54.09	313.06	4.03	-50.06
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007629307	0	37	-1.0	-53.21	317.48	5.40	-47.81
CC1=CC=CC=C1CCNS(=O)(=O)CCCCCC(=O)[O-]	REAL300007629308	0	43	-1.0	-53.46	360.55	6.51	-46.95
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007629309	0	37	-1.0	-51.92	327.35	4.52	-47.40
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007629310	0	38	-1.0	-47.68	349.57	6.90	-40.78
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007629311	0	38	-1.0	-47.70	354.14	7.00	-40.70
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C)C=C1C(=O)[O-]	REAL300007629312	0	42	-1.0	-58.49	360.13	6.45	-52.04
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300007629313	0	41	-1.0	-49.09	348.85	6.93	-42.16
CC1=CC=CC=C1CCNS(=O)(=O)N(C)CCC(=O)[O-]	REAL300007629314	0	39	-1.0	-48.89	330.68	4.53	-44.36
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007629315	0	43	-1.0	-53.37	364.23	6.73	-46.64
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC=CC=C2C)=C1	REAL300007629316	0	45	-1.0	-54.97	387.91	6.10	-48.87
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007629317	0	38	-1.0	-47.68	349.57	6.90	-40.78
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCC1=CC=CC=C1C	REAL300007629318	0	38	-1.0	-49.04	332.04	6.92	-42.12
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300007629319	0	41	-1.0	-51.34	359.94	7.65	-43.69
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCCC3=CC=CC=C3C)C=C21	REAL300007629320	0	44	-1.0	-52.23	378.43	7.65	-44.58
CC1=CC=CC=C1CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007629321	0	41	-1.0	-58.05	355.27	7.04	-51.01
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=CC=C1C	REAL300007629322	0	42	-1.0	-54.64	351.87	6.15	-48.49
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007629323	0	41	-1.0	-53.40	348.86	6.92	-46.48
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007629324	0	41	-1.0	-56.83	346.13	7.22	-49.61
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=CC=C1C	REAL300007629325	0	42	-1.0	-46.82	365.35	6.37	-40.45
CC1=CC=CC=C1CCNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007629326	0	41	-1.0	-48.44	341.85	6.20	-42.24
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007629327	0	41	-1.0	-52.03	355.09	7.16	-44.87
COC1=C(S(=O)(=O)NCCC2=CC=CC=C2C)SC(C(=O)[O-])=C1	REAL300007629328	0	39	-1.0	-48.15	349.71	4.59	-43.56
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007629329	0	43	-1.0	-50.90	368.30	6.99	-43.91
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007629330	0	41	-1.0	-48.30	362.96	7.20	-41.10
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007629331	0	45	-1.0	-53.28	377.65	8.21	-45.07
CCC1=C(S(=O)(=O)NCCC2=CC=CC=C2C)C=C(C(=O)[O-])O1	REAL300007629332	0	41	-1.0	-53.76	355.80	6.22	-47.54
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007629333	0	40	-1.0	-44.03	348.98	7.86	-36.17
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007629334	0	41	-1.0	-52.11	369.37	7.81	-44.30
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007629335	0	40	-1.0	-39.29	348.95	7.86	-31.43
CC1=CC=CC=C1CCNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300007629336	0	40	-1.0	-47.50	342.96	5.03	-42.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C	REAL300007629337	0	42	-1.0	-48.70	351.92	6.15	-42.55
COC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C)=CC=C1C(=O)[O-]	REAL300007629338	0	42	-1.0	-54.96	360.19	6.46	-48.50
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C)C(CC(=O)[O-])=C1	REAL300007629339	0	45	-1.0	-57.46	373.59	6.77	-50.69
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007629340	0	41	-1.0	-51.29	360.55	7.22	-44.07
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007629341	0	41	-1.0	-47.35	371.55	7.38	-39.97
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007629342	0	47	-1.0	-50.38	384.65	7.96	-42.42
CC1=CC=CC=C1CCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007629343	0	38	-1.0	-51.87	323.47	4.67	-47.20
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007629344	0	44	-1.0	-51.71	367.73	8.53	-43.18
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCC2=CC=CC=C2C)=C1	REAL300007629345	0	38	-1.0	-51.71	334.21	5.28	-46.43
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007629346	0	38	-1.0	-43.78	341.98	7.81	-35.97
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007629347	0	38	-1.0	-50.90	345.35	6.78	-44.12
CC1=CC=CC=C1CCNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007629348	0	35	-1.0	-59.89	311.88	4.72	-55.17
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCC2=CC=CC=C2C)=C1	REAL300007629349	0	42	-1.0	-48.60	350.08	6.50	-42.10
CC1=CC=CC=C1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007629350	0	35	-1.0	-52.00	307.61	3.36	-48.64
CC1=CC=CC=C1CCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007629351	0	38	-1.0	-51.87	323.47	4.67	-47.20
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007629352	0	40	-2.0	-135.59	359.72	7.35	-128.24
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=CC=C1C	REAL300007629353	0	45	-1.0	-55.05	377.89	6.45	-48.60
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007629354	0	37	-1.0	-48.21	327.70	4.43	-43.78
CC1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007629355	0	41	-1.0	-55.66	345.23	7.47	-48.19
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007629356	0	35	-1.0	-46.85	331.14	4.97	-41.88
CC1=CC=CC=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007629356	1	34	-2.0	-96.55	328.91	4.60	-91.95
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007629357	0	44	-1.0	-52.05	367.40	8.54	-43.51
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=CC=C1C	REAL300007629358	0	45	-1.0	-54.10	373.58	7.06	-47.04
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C)C(C(=O)[O-])=C1	REAL300007629359	0	42	-1.0	-50.87	350.22	6.48	-44.39
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007629360	0	37	-1.0	-55.15	328.91	4.60	-50.55
CC1=CC=CC=C1CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007629361	0	35	-1.0	-44.54	314.97	2.56	-41.98
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007629362	0	38	-1.0	-54.53	327.00	3.83	-50.70
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007629363	0	44	-1.0	-52.75	377.39	8.58	-44.17
CC1=CC=CC=C1CCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007629364	0	41	-1.0	-54.81	338.51	6.03	-48.78
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2=CC=CC=C2C)S1	REAL300007629365	0	38	-1.0	-49.94	342.77	6.04	-43.90
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007629366	0	44	-1.0	-53.22	366.52	9.47	-43.75
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007629367	0	41	-1.0	-47.09	356.28	7.90	-39.19
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007629368	0	41	-1.0	-56.68	344.06	7.50	-49.18
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007629369	0	38	-1.0	-49.12	361.22	6.90	-42.22
CC1=CC=CC=C1CCNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007629370	0	41	-1.0	-66.94	357.85	4.95	-61.99
CC1=CC=CC=C1CCNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007629371	0	41	-1.0	-45.84	358.06	7.55	-38.29
CC1=CC=CC=C1CCNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007629372	0	43	-1.0	-49.69	338.51	6.39	-43.30
CC1=CC=CC=C1CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007629373	0	35	-1.0	-44.54	314.97	2.56	-41.98
CC1=CC=CC=C1CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007629374	0	40	-1.0	-46.37	331.11	5.14	-41.23
CC1=CC=CC=C1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007629375	0	35	-1.0	-52.00	307.61	3.36	-48.64
CC1=CC=CC=C1CCNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007629376	0	35	-1.0	-41.71	331.65	6.73	-34.98
CC1=CC=CC=C1CCNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300007629377	0	40	-1.0	-52.03	344.16	5.07	-46.96
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007629378	0	41	-1.0	-56.68	344.06	7.50	-49.18
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C)C=C1C(=O)[O-]	REAL300007629379	0	45	-1.0	-60.03	381.98	7.36	-52.67
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007629380	0	45	-1.0	-49.89	376.94	8.20	-41.69
CC1=CC=CC=C1CCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007629381	0	37	-1.0	-44.42	316.34	5.38	-39.04
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007629382	0	43	-1.0	-56.20	373.23	6.71	-49.49
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007629383	0	39	-1.0	-50.87	356.36	6.89	-43.98
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007629384	0	39	-1.0	-53.79	356.38	6.88	-46.91
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300007629385	0	42	-1.0	-58.56	371.02	7.79	-50.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=C(SC)C=C1	REAL300007629386	0	43	-1.0	-55.53	376.76	6.70	-48.83
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300007629387	0	42	-1.0	-53.22	372.41	7.42	-45.80
CSC1=CC=C(CCNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C=C1	REAL300007629388	0	36	-1.0	-46.64	339.57	6.65	-39.99
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007629389	0	39	-1.0	-53.79	356.38	6.88	-46.91
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007629390	0	39	-1.0	-50.87	356.36	6.89	-43.98
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300007629391	0	39	-1.0	-49.64	345.63	7.75	-41.89
CSC1=CC=C(CCNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C=C1	REAL300007629392	0	37	-1.0	-53.24	344.89	4.61	-48.63
CSC1=CC=C(CCNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C=C1	REAL300007629393	0	39	-1.0	-51.19	360.93	5.00	-46.19
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300007629394	0	36	-1.0	-49.69	348.62	6.01	-43.68
CSC1=CC=C(CCNS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1	REAL300007629395	0	36	-1.0	-52.52	332.47	3.92	-48.60
CSC1=CC=C(CCNS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007629396	0	44	-1.0	-48.78	371.79	5.89	-42.89
CSC1=CC=C(CCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007629397	0	44	-1.0	-53.47	373.41	6.02	-47.45
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300007629398	0	39	-1.0	-49.64	345.63	7.75	-41.89
CSC1=CC=C(CCNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C=C1	REAL300007629399	0	39	-1.0	-43.73	362.50	8.26	-35.47
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=C1	REAL300007629400	0	36	-1.0	-51.98	341.12	5.25	-46.73
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C=C1	REAL300007629401	0	39	-1.0	-51.18	359.34	5.72	-45.46
CSC1=CC=C(CCNS(=O)(=O)CCCC(=O)[O-])C=C1	REAL300007629402	0	38	-1.0	-54.03	342.39	5.51	-48.52
CSC1=CC=C(CCNS(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007629403	0	41	-1.0	-60.22	356.17	6.02	-54.20
CSC1=CC=C(CCNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007629404	0	42	-1.0	-60.04	380.15	7.61	-52.43
CSC1=CC=C(CCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007629405	0	44	-1.0	-53.47	373.41	6.02	-47.45
CSC1=CC=C(CCNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007629406	0	42	-1.0	-62.35	380.16	7.59	-54.76
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=C1	REAL300007629407	0	36	-1.0	-51.98	341.12	5.25	-46.73
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300007629408	0	43	-1.0	-50.41	387.44	7.16	-43.25
CSC1=CC=C(CCNS(=O)(=O)CCCC(=O)[O-])C=C1	REAL300007629409	0	38	-1.0	-54.03	342.39	5.51	-48.52
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300007629410	0	36	-1.0	-50.89	349.55	5.91	-44.98
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300007629411	0	45	-1.0	-59.66	387.96	8.32	-51.34
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300007629412	0	42	-1.0	-53.80	373.30	7.92	-45.88
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC=C(SC)C=C2)=C1	REAL300007629413	0	46	-1.0	-56.20	411.43	6.59	-49.61
CSC1=CC=C(CCNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300007629414	0	36	-1.0	-53.48	348.02	5.90	-47.58
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300007629415	0	42	-1.0	-49.98	365.54	7.62	-42.36
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300007629416	0	42	-1.0	-51.00	378.54	7.66	-43.34
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C=C1	REAL300007629417	0	36	-1.0	-50.88	341.37	4.99	-45.89
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300007629418	0	42	-1.0	-53.16	378.55	7.66	-45.50
CSC1=CC=C(CCNS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300007629419	0	39	-1.0	-55.73	361.11	5.97	-49.76
CSC1=CC=C(CCNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C=C1	REAL300007629420	0	38	-1.0	-48.34	351.54	5.07	-43.27
CSC1=CC=C(CCNS(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1	REAL300007629421	0	35	-1.0	-50.44	333.89	5.13	-45.31
CSC1=CC=C(CCNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C=C1	REAL300007629422	0	35	-1.0	-54.41	337.94	4.60	-49.81
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C=C1	REAL300007629423	0	38	-1.0	-53.02	342.57	5.97	-47.05
CSC1=CC=C(CCNS(=O)(=O)CCCCCC(=O)[O-])C=C1	REAL300007629424	0	44	-1.0	-55.23	385.39	7.07	-48.16
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300007629425	0	38	-1.0	-53.17	352.23	5.09	-48.08
CSC1=CC=C(CCNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C=C1	REAL300007629426	0	39	-1.0	-48.73	373.09	7.39	-41.34
COC1=CC=C(S(=O)(=O)NCCC2=CC=C(SC)C=C2)C=C1C(=O)[O-]	REAL300007629427	0	43	-1.0	-60.87	383.66	6.95	-53.92
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300007629428	0	42	-1.0	-50.25	372.37	7.42	-42.83
CSC1=CC=C(CCNS(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300007629429	0	40	-1.0	-50.01	355.52	5.10	-44.91
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC=C(SC)C=C2)=C1	REAL300007629430	0	46	-1.0	-56.20	411.43	6.59	-49.61
CSC1=CC=C(CCNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C=C1	REAL300007629431	0	39	-1.0	-48.73	373.09	7.39	-41.34
CSC1=CC=C(CCNS(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C=C1	REAL300007629432	0	39	-1.0	-49.13	356.92	7.48	-41.65
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300007629433	0	42	-1.0	-53.03	384.88	8.19	-44.84
CSC1=CC=C(CCNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007629434	0	42	-1.0	-60.04	380.15	7.61	-52.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=C(SC)C=C1	REAL300007629435	0	43	-1.0	-55.53	376.76	6.70	-48.83
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300007629436	0	42	-1.0	-53.22	372.41	7.42	-45.80
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300007629437	0	42	-1.0	-58.56	371.02	7.79	-50.77
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=C(SC)C=C1	REAL300007629438	0	43	-1.0	-48.21	390.63	6.92	-41.29
CSC1=CC=C(CCNS(=O)(=O)CC2(CC(=O)[O-])CC2)C=C1	REAL300007629439	0	42	-1.0	-48.37	366.93	6.75	-41.62
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300007629440	0	42	-1.0	-53.16	378.55	7.66	-45.50
COC1=C(S(=O)(=O)NCCC2=CC=C(SC)C=C2)SC(C(=O)[O-])=C1	REAL300007629441	0	40	-1.0	-49.10	374.54	5.16	-43.94
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C=C1	REAL300007629442	0	44	-1.0	-52.26	393.18	7.55	-44.71
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300007629443	0	46	-1.0	-54.56	402.49	8.77	-45.79
CCC1=C(S(=O)(=O)NCCC2=CC=C(SC)C=C2)C=C(C(=O)[O-])O1	REAL300007629444	0	42	-1.0	-55.25	380.60	6.78	-48.47
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300007629445	0	41	-1.0	-43.88	373.86	8.42	-35.46
CSC1=CC=C(CCNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300007629446	0	41	-1.0	-39.45	373.97	8.41	-31.04
CSC1=CC=C(CCNS(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C=C1	REAL300007629447	0	41	-1.0	-48.84	367.79	5.60	-43.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1=CC=C(SC)C=C1	REAL300007629448	0	43	-1.0	-49.65	376.76	6.70	-42.95
COC1=CC(S(=O)(=O)NCCC2=CC=C(SC)C=C2)=CC=C1C(=O)[O-]	REAL300007629449	0	43	-1.0	-56.09	383.64	6.96	-49.13
COC1=CC=C(S(=O)(=O)NCCC2=CC=C(SC)C=C2)C(CC(=O)[O-])=C1	REAL300007629450	0	46	-1.0	-58.07	398.18	7.39	-50.68
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C=C1	REAL300007629451	0	42	-1.0	-53.42	383.95	7.70	-45.72
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300007629452	0	48	-1.0	-51.76	409.53	8.52	-43.24
CSC1=CC=C(CCNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=C1	REAL300007629453	0	39	-1.0	-53.10	348.35	5.22	-47.88
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007629454	0	39	-1.0	-52.93	359.08	5.85	-47.08
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300007629455	0	39	-1.0	-51.79	368.87	7.27	-44.52
CSC1=CC=C(CCNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C=C1	REAL300007629456	0	36	-1.0	-53.57	333.58	5.74	-47.83
CSC1=CC=C(CCNS(=O)(=O)C2(C(=O)[O-])CCC2)C=C1	REAL300007629457	0	39	-1.0	-43.81	341.19	6.09	-37.72
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCC2=CC=C(SC)C=C2)=C1	REAL300007629458	0	43	-1.0	-48.44	375.16	7.05	-41.39
CSC1=CC=C(CCNS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1	REAL300007629459	0	36	-1.0	-52.52	332.47	3.92	-48.60
CSC1=CC=C(CCNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=C1	REAL300007629460	0	39	-1.0	-53.10	348.35	5.22	-47.88
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007629461	0	41	-2.0	-136.11	383.24	7.84	-128.27
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=C(SC)C=C1	REAL300007629462	0	46	-1.0	-56.61	402.80	7.00	-49.61
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300007629463	0	38	-1.0	-51.74	349.82	5.20	-46.54
CSC1=CC=C(CCNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300007629464	0	42	-1.0	-56.92	369.83	8.02	-48.90
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007629465	0	36	-1.0	-47.94	356.03	5.53	-42.41
CSC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007629465	1	35	-2.0	-95.17	353.78	5.15	-90.02
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=C(SC)C=C1	REAL300007629466	0	46	-1.0	-54.92	398.61	7.63	-47.29
COC1=CC=C(S(=O)(=O)NCCC2=CC=C(SC)C=C2)C(C(=O)[O-])=C1	REAL300007629467	0	43	-1.0	-50.47	375.10	7.05	-43.42
CSC1=CC=C(CCNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300007629468	0	38	-1.0	-56.02	352.43	5.09	-50.93
CSC1=CC=C(CCNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1	REAL300007629469	0	36	-1.0	-45.81	339.85	3.14	-42.67
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C=C1	REAL300007629470	0	39	-1.0	-57.06	357.88	4.63	-52.43
CSC1=CC=C(CCNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007629471	0	39	-1.0	-54.73	346.36	6.03	-48.70
CSC1=CC=C(CCNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300007629472	0	42	-1.0	-56.63	363.40	6.60	-50.03
CSC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C=C1	REAL300007629473	0	39	-1.0	-50.84	367.65	6.60	-44.24
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1	REAL300007629474	0	42	-1.0	-57.36	368.88	8.03	-49.33
CSC1=CC=C(CCNS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C=C1	REAL300007629475	0	42	-1.0	-66.39	382.70	5.51	-60.88
CSC1=CC=C(CCNS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C=C1	REAL300007629476	0	42	-1.0	-47.22	382.94	8.11	-39.11
CSC1=CC=C(CCNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300007629477	0	39	-1.0	-56.22	353.03	6.21	-50.01
CSC1=CC=C(CCNS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007629478	0	44	-1.0	-49.76	363.39	6.95	-42.81
CSC1=CC=C(CCNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1	REAL300007629479	0	36	-1.0	-45.81	339.85	3.14	-42.67
CSC1=CC=C(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300007629480	0	41	-1.0	-45.88	355.96	5.70	-40.18
CSC1=CC=C(CCNS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1	REAL300007629481	0	36	-1.0	-52.52	332.47	3.92	-48.60
CSC1=CC=C(CCNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C=C1	REAL300007629482	0	36	-1.0	-41.82	356.52	7.29	-34.53
CSC1=CC=C(CCNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300007629483	0	39	-1.0	-58.94	336.66	6.61	-52.33
CSC1=CC=C(CCNS(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C=C1	REAL300007629484	0	41	-1.0	-53.12	369.04	5.63	-47.49
CSC1=CC=C(CCNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1	REAL300007629485	0	42	-1.0	-57.36	368.88	8.03	-49.33
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=C(SC)C=C2)C=C1C(=O)[O-]	REAL300007629486	0	46	-1.0	-61.32	405.50	7.86	-53.46
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300007629487	0	46	-1.0	-50.39	401.82	8.77	-41.62
CSC1=CC=C(CCNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C=C1	REAL300007629488	0	38	-1.0	-44.29	341.19	5.95	-38.34
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629489	0	39	-1.0	-49.75	330.09	4.63	-45.12
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629490	0	46	-1.0	-43.05	362.96	6.69	-36.36
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007629491	0	31	-1.0	-40.88	296.29	3.76	-37.12
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629492	0	41	-1.0	-44.31	318.77	4.89	-39.42
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629493	0	37	-1.0	-39.30	316.72	5.51	-33.79
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007629494	0	38	-1.0	-42.34	312.08	4.34	-38.00
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007629495	0	40	-1.0	-46.57	348.03	1.66	-44.91
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007629496	0	38	-1.0	-39.63	330.27	3.89	-35.74
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1OC	REAL300007629497	0	45	-1.0	-43.90	354.27	4.09	-39.81
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629498	0	37	-1.0	-38.62	312.79	5.42	-33.20
CN(C1CCCCC1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629499	0	45	-1.0	-42.20	340.57	4.58	-37.62
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629500	0	40	-1.0	-44.98	321.46	3.16	-41.82
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007629501	0	50	-1.0	-42.87	385.99	7.90	-34.97
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007629502	0	40	-1.0	-45.54	328.76	3.25	-42.29
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007629503	0	34	-1.0	-41.00	297.01	4.74	-36.26
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007629504	0	34	-1.0	-40.07	305.57	4.72	-35.35
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629505	0	39	-1.0	-50.14	319.92	6.52	-43.62
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007629506	0	40	-1.0	-41.39	346.31	6.13	-35.26
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629507	0	44	-1.0	-46.08	369.16	0.66	-45.42
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629508	0	45	-1.0	-46.74	369.76	5.98	-40.76
CC1=CC(F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629509	0	37	-1.0	-41.89	314.36	4.91	-36.98
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007629510	0	40	-1.0	-44.32	326.07	4.50	-39.82
COCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629511	0	41	-1.0	-45.43	339.34	3.83	-41.60
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007629512	0	40	-1.0	-42.76	333.33	1.73	-41.03
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007629513	0	43	-1.0	-61.74	369.31	2.30	-59.44
CC(C)(C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007629514	0	39	-1.0	-49.21	334.87	0.13	-49.08
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1C	REAL300007629515	0	44	-1.0	-44.46	346.11	4.97	-39.49
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007629516	0	39	-1.0	-43.57	330.42	4.64	-38.93
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007629517	0	37	-1.0	-39.99	329.37	5.45	-34.54
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007629518	0	39	-1.0	-47.79	328.29	4.53	-43.26
CC(C)(C)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007629519	0	44	-1.0	-43.40	360.32	-0.13	-43.53
CN(C1CCOCC1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629520	0	43	-1.0	-40.68	327.74	2.05	-38.63
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=NN1C1=CC=CC=N1	REAL300007629521	0	43	-1.0	-50.32	354.45	5.31	-45.01
CCN1N=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1C	REAL300007629522	0	43	-1.0	-46.32	346.30	4.07	-42.25
CC(C)N1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007629523	0	40	-1.0	-48.13	332.07	3.24	-44.89
CC(C)CN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629524	0	43	-1.0	-50.77	343.28	6.04	-44.73
CC(C)N1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629525	0	40	-1.0	-53.02	329.44	4.84	-48.18
CC(C)C1=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CN1	REAL300007629526	0	40	-1.0	-52.93	321.35	3.32	-49.61
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629527	0	46	-1.0	-45.90	337.18	6.76	-39.14
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629528	0	42	-1.0	-49.64	353.02	3.59	-46.05
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1OC	REAL300007629529	0	42	-1.0	-53.93	356.54	3.77	-50.16
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Br	REAL300007629530	0	37	-1.0	-41.08	323.85	5.32	-35.76
CC1=C(F)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629531	0	37	-1.0	-40.95	300.89	4.92	-36.03
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007629532	0	40	-1.0	-43.97	342.73	6.94	-37.03
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007629533	0	39	-1.0	-39.41	335.44	6.22	-33.19
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007629534	0	38	-1.0	-44.17	329.82	3.77	-40.40
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007629535	0	41	-1.0	-43.88	335.57	5.70	-38.18
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629536	0	49	-1.0	-45.87	381.67	5.45	-40.42
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007629537	0	37	-1.0	-42.03	319.52	5.01	-37.02
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629538	0	45	-1.0	-46.02	353.59	3.65	-42.37
CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2=CC=CC=C2)=N1	REAL300007630001	0	44	-1.0	-48.90	354.10	5.35	-43.55
CC(C)(C)[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007630002	0	38	-1.0	-45.25	325.63	5.40	-39.85
CC(C)(C)[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007630003	0	38	-1.0	-41.81	337.48	5.91	-35.90
CC(C)(C)[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007630004	0	38	-1.0	-43.63	339.74	5.98	-37.65
CC(C)(C)[C@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007630005	0	39	-1.0	-41.55	328.19	-1.99	-43.54
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C2C=CC=CN21)C(=O)[O-]	REAL300007630006	0	37	-1.0	-58.46	308.15	4.26	-54.20
CC(C)(C)[C@H](NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007630007	0	40	-1.0	-38.17	316.41	4.42	-33.75
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007630008	0	36	-1.0	-46.13	317.48	3.58	-42.55
CC(C)(C)[C@H](NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007630009	0	42	-1.0	-42.91	339.12	1.31	-41.60
CC1=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C(C2=CC=CC=C2)O1	REAL300007630010	0	43	-1.0	-52.37	361.15	3.25	-49.12
CC1=NC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)=C(C2=CC=CC=C2)O1	REAL300007630010	1	42	-2.0	-142.85	357.55	2.95	-139.90
CC(C)(C)[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007630011	0	51	-1.0	-43.40	362.88	6.99	-36.41
CC(C)(C)[C@H](NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007630012	0	44	-1.0	-44.07	346.02	3.61	-40.46
CC(C)(C)[C@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007630013	0	37	-1.0	-43.78	312.76	-0.27	-44.05
CC(C)(C)[C@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007630014	0	42	-1.0	-47.31	324.88	4.56	-42.75
CC(C)(C)[C@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007630015	0	42	-1.0	-53.09	352.25	0.85	-52.24
CC(C)(C)[C@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007630016	0	47	-1.0	-41.61	356.05	4.39	-37.22
CC(C)(C)[C@H](NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007630017	0	44	-1.0	-41.92	356.41	6.40	-35.52
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007630018	0	38	-1.0	-48.46	329.75	3.08	-45.38
CC(C)(C)[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007630019	0	44	-1.0	-42.33	367.82	6.97	-35.36
CC(C)(C)[C@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007630020	0	43	-1.0	-41.55	334.23	1.49	-40.06
CC(C)(C)[C@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007630021	0	47	-1.0	-40.71	349.53	6.05	-34.66
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007630022	0	38	-1.0	-43.71	328.10	5.43	-38.28
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007630023	0	56	-1.0	-45.43	413.91	8.27	-37.16
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007630024	0	45	-1.0	-45.30	357.18	5.10	-40.20
COC1=CSC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1OC	REAL300007630025	0	39	-1.0	-57.10	329.37	1.80	-55.30
CC(C)(C)[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007630026	0	46	-1.0	-43.81	346.56	4.56	-39.25
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630027	0	45	-1.0	-41.64	360.87	5.85	-35.79
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007630028	0	38	-1.0	-45.65	335.25	5.03	-40.62
COC1=CC(F)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(F)=C1	REAL300007630029	0	38	-1.0	-44.71	324.15	3.74	-40.97
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)C(F)=C1	REAL300007630029	1	37	-2.0	-138.44	319.87	4.00	-134.44
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007630030	0	38	-1.0	-45.26	329.82	3.77	-41.49
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630031	0	40	-1.0	-47.36	328.69	4.02	-43.34
CN1C=CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C21	REAL300007630032	0	41	-1.0	-50.81	341.03	5.91	-44.90
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007630033	0	43	-1.0	-41.35	363.14	4.59	-36.76
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630034	0	47	-1.0	-48.30	376.93	6.47	-41.83
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007630035	0	45	-1.0	-49.45	377.74	7.06	-42.39
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007630036	0	40	-1.0	-46.82	319.90	6.00	-40.82
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007630037	0	35	-1.0	-43.95	313.67	3.03	-40.92
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007630038	0	45	-1.0	-46.29	370.96	5.77	-40.52
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2CC2)=N1	REAL300007630039	0	44	-1.0	-48.28	365.35	4.90	-43.38
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=NSN=C2C=C1	REAL300007630040	0	38	-1.0	-47.02	317.87	3.32	-43.70
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007630041	0	40	-1.0	-43.04	349.17	6.95	-36.09
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007630042	0	44	-1.0	-45.32	378.26	8.08	-37.24
CC(C)(C)[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007630043	0	33	-1.0	-42.13	314.65	2.13	-40.00
CCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1Br	REAL300007630044	0	40	-1.0	-40.31	343.39	6.00	-34.31
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007630045	0	47	-1.0	-54.20	368.99	5.05	-49.15
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007630046	0	31	-1.0	-38.57	293.16	3.64	-34.93
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007630047	0	48	-1.0	-43.54	374.07	4.73	-38.81
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007630048	0	40	-1.0	-46.79	345.85	7.00	-39.79
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630049	0	42	-1.0	-48.55	336.18	1.78	-46.77
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007630050	0	41	-1.0	-44.13	328.60	6.34	-37.79
CC(C)(C)[C@H](NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007630051	0	45	-1.0	-53.79	329.52	3.84	-49.95
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007630052	0	49	-1.0	-43.96	386.16	4.48	-39.48
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630053	0	37	-1.0	-41.56	312.02	2.07	-39.49
COC1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007630054	0	40	-1.0	-44.08	334.64	1.56	-42.52
CC(C)CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007630055	0	43	-1.0	-47.53	354.72	4.25	-43.28
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630056	0	43	-1.0	-45.75	350.82	3.83	-41.92
CC(C)(C)[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007630057	0	44	-1.0	-47.99	350.77	2.09	-45.90
COCC1=CC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=NO1	REAL300007630058	0	40	-1.0	-44.91	336.13	1.92	-42.99
CC(C)(C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007630059	0	39	-1.0	-39.42	333.04	6.13	-33.29
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)N=C1	REAL300007630060	0	45	-1.0	-46.99	356.69	4.46	-42.53
CC(C)N1N=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630061	0	40	-1.0	-44.87	329.04	3.41	-41.46
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007630062	0	41	-1.0	-53.81	334.96	3.95	-49.86
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007630063	0	41	-1.0	-49.55	342.55	5.41	-44.14
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007630064	0	36	-1.0	-45.07	314.36	3.08	-41.99
CC(C)(C)[C@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007630065	0	39	-1.0	-49.84	321.20	4.50	-45.34
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=NN1C(C)C	REAL300007630066	0	43	-1.0	-46.49	348.31	3.88	-42.61
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007630067	0	48	-1.0	-44.09	392.94	7.66	-36.43
CC(C)(C)[C@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007630068	0	39	-1.0	-51.93	313.36	5.40	-46.53
CC1=CN=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1	REAL300007630069	0	39	-1.0	-49.65	320.30	3.73	-45.92
CC(C)(C)[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007630070	0	37	-1.0	-38.17	316.78	3.84	-34.33
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630071	0	42	-1.0	-42.66	340.96	-0.18	-42.84
CC(C)(C)[C@H](NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007630072	0	41	-1.0	-44.64	318.56	2.25	-42.39
CC(C)(C)[C@H](NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007630073	0	40	-1.0	-40.44	325.58	3.67	-36.77
COC1=CC=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007630074	0	37	-1.0	-45.95	302.30	2.37	-43.58
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C(F)F)=C1	REAL300007630075	0	41	-1.0	-45.17	333.65	4.68	-40.49
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)N=C1	REAL300007630076	0	37	-1.0	-48.15	312.73	1.51	-46.64
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630077	0	40	-1.0	-40.56	334.39	2.57	-37.99
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007630078	0	39	-1.0	-47.48	324.56	4.59	-42.89
CCOC1=CC=CN=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007630079	0	40	-1.0	-51.36	321.83	4.12	-47.24
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=NC=CC=C12	REAL300007630080	0	42	-1.0	-50.73	328.28	5.68	-45.05
CC(C)(C)[C@H](NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007630081	0	38	-1.0	-48.11	305.33	3.59	-44.52
CC(C)(C)[C@H](NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300007630082	0	36	-1.0	-41.19	301.16	2.64	-38.55
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007630083	0	36	-1.0	-45.70	305.10	3.94	-41.76
CC(C)(C)[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007630084	0	41	-1.0	-45.49	344.26	4.54	-40.95
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007630085	0	47	-1.0	-45.88	363.27	6.25	-39.63
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300007630086	0	39	-1.0	-53.12	307.34	3.89	-49.23
CCC(C)C1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300007630087	0	46	-1.0	-43.54	346.78	6.22	-37.32
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007630088	0	31	-1.0	-43.34	277.10	3.26	-40.08
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1OC	REAL300007630089	0	41	-1.0	-47.30	313.42	4.20	-43.10
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1C	REAL300007630090	0	37	-1.0	-44.78	297.40	4.71	-40.07
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007630091	0	38	-1.0	-44.33	314.80	3.98	-40.35
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007630092	0	40	-1.0	-52.27	328.78	1.15	-51.12
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007630093	0	38	-1.0	-42.11	315.48	3.45	-38.66
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300007630094	0	45	-1.0	-46.36	343.40	3.67	-42.69
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300007630095	0	37	-1.0	-43.06	293.74	4.68	-38.38
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C)N=C1C	REAL300007630096	0	40	-1.0	-45.14	300.46	2.55	-42.59
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007630097	0	50	-1.0	-43.36	369.58	7.38	-35.98
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007630098	0	40	-1.0	-45.63	310.84	2.73	-42.90
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300007630099	0	34	-1.0	-44.06	285.88	4.44	-39.62
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007630100	0	34	-1.0	-44.09	287.37	4.10	-39.99
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300007630101	0	39	-1.0	-49.07	289.46	5.33	-43.74
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007630102	0	40	-1.0	-45.20	330.99	5.83	-39.37
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007630103	0	44	-1.0	-48.86	349.97	0.33	-48.53
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300007630104	0	45	-1.0	-44.65	350.71	5.46	-39.19
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300007630105	0	37	-1.0	-42.63	297.08	4.39	-38.24
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007630106	0	40	-1.0	-44.95	313.88	4.09	-40.86
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(COC)C=C1	REAL300007630107	0	41	-1.0	-44.47	323.17	3.36	-41.11
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=N1	REAL300007630108	0	40	-1.0	-44.00	318.20	1.18	-42.82
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007630109	0	43	-1.0	-55.46	352.21	1.84	-53.62
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300007630110	0	39	-1.0	-51.88	315.90	-0.17	-52.05
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300007630111	0	44	-1.0	-44.76	330.16	4.41	-40.35
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007630112	0	39	-1.0	-46.31	320.28	4.08	-42.23
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007630113	0	37	-1.0	-44.08	314.55	5.20	-38.88
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007630114	0	39	-1.0	-47.61	310.26	4.04	-43.57
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300007630115	0	43	-1.0	-49.18	336.37	4.84	-44.34
CCN1N=C(C)C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=C1C	REAL300007630116	0	43	-1.0	-47.17	317.72	3.02	-44.15
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)N=C1	REAL300007630117	0	40	-1.0	-44.48	312.39	2.60	-41.88
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300007630118	0	43	-1.0	-48.58	333.85	5.13	-43.45
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)C=N1	REAL300007630119	0	40	-1.0	-48.81	314.73	4.55	-44.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC(C(C)C)=N1	REAL300007630120	0	40	-1.0	-51.99	312.45	2.51	-49.48
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007630121	0	46	-1.0	-45.02	328.16	6.69	-38.33
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007630122	0	42	-1.0	-52.20	334.94	2.98	-49.22
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300007630123	0	42	-1.0	-44.83	336.70	3.34	-41.49
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300007630124	0	37	-1.0	-42.66	308.18	4.85	-37.81
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C	REAL300007630125	0	37	-1.0	-43.33	283.37	4.21	-39.12
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007630126	0	40	-1.0	-44.08	325.13	6.49	-37.59
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007630127	0	39	-1.0	-41.54	311.84	5.36	-36.18
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007630128	0	38	-1.0	-45.79	314.18	3.31	-42.48
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007630129	0	41	-1.0	-46.64	335.24	4.90	-41.74
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300007630130	0	49	-1.0	-46.10	368.94	4.92	-41.18
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007630131	0	37	-1.0	-44.82	299.37	4.50	-40.32
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300007630132	0	45	-1.0	-49.46	347.08	3.25	-46.21
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007631001	0	36	-1.0	-57.41	301.52	4.39	-53.02
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007631002	0	33	-1.0	-52.08	283.55	2.09	-49.99
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC(C)=C1F	REAL300007631003	0	36	-1.0	-45.97	296.34	4.41	-41.56
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007631004	0	37	-1.0	-61.69	306.04	2.79	-58.90
O=C([O-])C1COCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007631005	0	43	-1.0	-51.99	355.07	4.79	-47.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007631006	0	34	-1.0	-51.45	282.25	2.72	-48.73
O=C([O-])C1COCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007631007	0	32	-1.0	-54.36	281.04	2.75	-51.61
CC1=NC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=CS1	REAL300007631008	0	32	-1.0	-57.48	284.65	1.64	-55.84
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007631009	0	33	-1.0	-49.13	294.78	4.48	-44.65
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Cl	REAL300007631010	0	33	-1.0	-46.60	285.51	4.13	-42.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007631011	0	36	-1.0	-65.51	298.13	4.01	-61.50
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)=N1	REAL300007631012	0	39	-1.0	-52.78	336.24	4.48	-48.30
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007631013	0	38	-1.0	-57.42	307.54	4.64	-52.78
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007631014	0	37	-1.0	-56.85	315.16	0.91	-55.94
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007631015	0	39	-1.0	-51.13	309.66	3.49	-47.64
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007631016	0	33	-1.0	-50.37	298.00	4.49	-45.88
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007631017	0	55	-1.0	-51.91	432.54	8.17	-43.74
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631018	0	43	-1.0	-56.98	341.09	4.84	-52.14
COC(CS(=O)(=O)N1CCOCC1C(=O)[O-])C1CCCC1	REAL300007631019	0	43	-1.0	-53.09	325.55	3.71	-49.38
COC(CS(=O)(=O)N1CCOCC1C(=O)[O-])C1CCCCC1	REAL300007631020	0	46	-1.0	-53.44	340.51	4.31	-49.13
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007631021	0	44	-1.0	-45.79	367.46	6.36	-39.43
CCOC(CS(=O)(=O)N1CCOCC1C(=O)[O-])C1CC1	REAL300007631022	0	40	-1.0	-50.00	318.21	3.67	-46.33
CCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)C	REAL300007631023	0	49	-1.0	-49.52	377.91	6.02	-43.50
CCC1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1CC1CC1	REAL300007631024	0	43	-1.0	-59.91	352.31	5.61	-54.30
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007631025	0	33	-1.0	-47.39	291.58	2.80	-44.59
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007631026	0	38	-1.0	-50.94	314.19	5.35	-45.59
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631027	0	37	-1.0	-51.03	299.74	3.40	-47.63
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007631028	0	43	-1.0	-48.08	343.76	5.27	-42.81
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631029	0	33	-1.0	-46.86	291.15	1.77	-45.09
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007631030	0	41	-1.0	-51.30	352.77	7.43	-43.87
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007631031	0	40	-1.0	-58.79	317.37	6.57	-52.22
CCC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C)C=C1OC	REAL300007631032	0	43	-1.0	-54.09	326.43	4.18	-49.91
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007631033	0	36	-1.0	-47.30	323.41	5.11	-42.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCOCC2C(=O)[O-])=N1	REAL300007631034	0	32	-1.0	-52.72	280.30	2.21	-50.51
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007631035	0	39	-1.0	-49.03	293.18	5.52	-43.51
CC(C)OC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300007631036	0	39	-1.0	-49.36	319.23	1.50	-47.86
COC1=C(F)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631037	0	34	-1.0	-46.61	279.64	3.20	-43.41
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)C	REAL300007631038	0	46	-1.0	-49.95	356.41	5.22	-44.73
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300007631039	0	42	-1.0	-51.41	326.84	5.19	-46.22
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007631040	0	49	-1.0	-52.11	379.90	7.77	-44.34
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631041	0	40	-1.0	-52.20	311.51	3.50	-48.70
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007631042	0	42	-1.0	-53.02	323.89	3.20	-49.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007631043	0	40	-1.0	-54.31	319.81	3.54	-50.77
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631044	0	33	-1.0	-41.62	275.86	1.97	-39.65
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631045	0	37	-1.0	-54.89	312.69	3.40	-51.49
C=CCCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007631046	0	40	-1.0	-50.05	327.27	5.81	-44.24
CCC1=NN(C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631047	0	36	-1.0	-48.96	288.14	1.56	-47.40
CCCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)C	REAL300007631048	0	52	-1.0	-48.75	402.99	6.86	-41.89
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007631049	0	34	-1.0	-49.18	303.04	4.87	-44.31
CCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)(C)C	REAL300007631050	0	52	-1.0	-49.26	394.05	6.75	-42.51
CCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1CC	REAL300007631051	0	46	-1.0	-49.05	364.59	5.55	-43.50
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631052	0	36	-1.0	-43.30	284.18	4.44	-38.86
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631053	0	36	-1.0	-47.25	311.52	5.09	-42.16
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007631054	0	34	-1.0	-52.95	298.81	4.73	-48.22
CCCC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631055	0	39	-1.0	-52.09	303.46	5.43	-46.66
COC1=NC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631056	0	33	-1.0	-50.51	274.04	0.37	-50.14
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631057	0	46	-1.0	-53.22	373.06	6.40	-46.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007631058	0	35	-1.0	-58.36	285.82	3.59	-54.77
CC1=CSC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631059	0	33	-1.0	-47.95	263.05	3.14	-44.81
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007631060	0	37	-1.0	-48.69	302.28	2.89	-45.80
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007631061	0	37	-1.0	-50.46	299.37	2.81	-47.65
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007631062	0	40	-1.0	-48.65	318.03	3.76	-44.89
CC1(C)COC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=NN2C1	REAL300007631063	0	41	-1.0	-55.69	327.80	1.01	-54.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007631064	0	36	-1.0	-52.68	318.71	4.11	-48.57
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2CCCCN21	REAL300007631065	0	37	-1.0	-52.54	297.49	2.94	-49.60
CCCCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)C	REAL300007631066	0	55	-1.0	-49.29	420.90	7.59	-41.70
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300007631067	0	46	-1.0	-57.94	360.27	5.44	-52.50
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631068	0	40	-1.0	-55.30	317.51	4.39	-50.91
CC1CC2=CC=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=C2O1	REAL300007631069	0	38	-1.0	-55.35	299.53	3.51	-51.84
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300007631070	0	38	-1.0	-51.23	320.27	2.82	-48.41
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007631071	0	36	-1.0	-59.60	310.49	4.11	-55.49
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631072	0	35	-1.0	-61.99	290.11	3.76	-58.23
O=C([O-])C1COCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007631073	0	39	-1.0	-51.69	296.73	3.28	-48.41
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007631074	0	34	-1.0	-46.93	304.46	3.46	-43.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007631075	0	31	-1.0	-42.98	267.81	2.12	-40.86
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007631076	0	33	-1.0	-52.79	290.63	4.72	-48.07
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631077	0	37	-1.0	-50.38	302.40	2.74	-47.64
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1F	REAL300007631078	0	39	-1.0	-49.39	298.17	4.95	-44.44
COC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1OC	REAL300007631079	0	38	-1.0	-50.77	302.86	2.95	-47.82
O=C([O-])C1COCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007631080	0	33	-1.0	-51.76	287.59	3.78	-47.98
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CCCC2)=N1	REAL300007631081	0	43	-1.0	-49.47	329.52	3.48	-45.99
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631082	0	42	-1.0	-52.55	334.15	4.10	-48.45
CCCCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=N1	REAL300007631083	0	42	-1.0	-48.52	331.72	3.42	-45.10
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CC2)=N1	REAL300007631084	0	37	-1.0	-50.53	296.17	2.52	-48.01
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007631085	0	34	-1.0	-51.49	291.45	2.82	-48.67
CN1N=NC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=CC=C21	REAL300007631086	0	35	-1.0	-54.28	295.54	1.55	-52.73
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300007631087	0	36	-1.0	-53.12	294.76	4.56	-48.56
CC1(C)CCCN(S(=O)(=O)N2CCOCC2C(=O)[O-])C1	REAL300007631088	0	41	-1.0	-48.29	302.42	3.63	-44.66
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007631089	0	36	-1.0	-45.70	321.66	4.23	-41.47
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CCC2)=N1	REAL300007631090	0	40	-1.0	-55.79	323.60	3.44	-52.35
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631091	0	48	-1.0	-59.08	370.94	7.34	-51.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007631092	0	36	-1.0	-49.77	317.95	4.86	-44.91
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007631093	0	40	-1.0	-56.16	326.32	3.84	-52.32
O=C([O-])C1COCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007631094	0	34	-1.0	-52.35	290.93	4.10	-48.25
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007631095	0	41	-1.0	-53.59	344.94	5.87	-47.72
COC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007631096	0	39	-1.0	-67.54	317.05	4.87	-62.67
CCCC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631097	0	39	-1.0	-51.86	314.51	5.28	-46.58
CN1N=C2CCCC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631098	0	37	-1.0	-49.10	294.84	2.24	-46.86
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631099	0	39	-1.0	-50.47	298.75	3.01	-47.46
CC(C)(C)N1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300007631100	0	39	-1.0	-55.63	316.85	2.90	-52.73
O=C([O-])C1COCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007631101	0	37	-1.0	-48.52	302.75	2.29	-46.23
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007631102	0	35	-1.0	-43.92	303.22	3.10	-40.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007631103	0	33	-1.0	-42.33	294.09	4.01	-38.32
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631104	0	41	-1.0	-65.23	334.61	5.09	-60.14
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007631105	0	41	-1.0	-55.04	322.30	6.17	-48.87
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007631106	0	36	-1.0	-49.25	315.84	4.12	-45.13
O=C([O-])C1COCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007631107	0	36	-1.0	-52.02	294.80	3.80	-48.22
O=C([O-])C1COCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007631108	0	37	-1.0	-51.54	305.79	1.54	-50.00
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007631109	0	30	-1.0	-51.18	272.99	3.12	-48.06
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007631110	0	37	-1.0	-52.36	299.24	5.13	-47.23
COC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=CS1	REAL300007631111	0	31	-1.0	-54.35	279.54	1.91	-52.44
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007631112	0	40	-1.0	-49.98	315.04	3.64	-46.34
CCC(C)N1N=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631113	0	39	-1.0	-49.24	305.64	2.82	-46.42
CN(C1CCCCCC1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631114	0	44	-1.0	-49.45	316.27	3.98	-45.47
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007631115	0	44	-1.0	-48.76	337.66	1.58	-47.18
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631116	0	36	-1.0	-51.44	303.35	4.60	-46.84
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007631117	0	34	-1.0	-52.99	289.28	2.63	-50.36
O=C([O-])C1COCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007631118	0	45	-1.0	-49.79	347.73	5.89	-43.90
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300007631119	0	31	-1.0	-48.35	275.60	1.72	-46.63
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NC=CC=C12	REAL300007631120	0	41	-1.0	-58.54	311.76	5.42	-53.12
O=C([O-])C1COCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007631121	0	38	-1.0	-47.61	307.72	3.34	-44.27
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007631122	0	33	-1.0	-53.80	285.01	1.90	-51.90
CCOCC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631123	0	40	-1.0	-54.67	326.98	3.74	-50.93
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631124	0	40	-1.0	-52.06	326.78	4.18	-47.88
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007631125	0	43	-1.0	-54.27	338.73	4.12	-50.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007631126	0	41	-1.0	-50.91	341.82	6.08	-44.83
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007631127	0	33	-1.0	-55.33	270.87	3.95	-51.38
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC(C)=C1Br	REAL300007631128	0	36	-1.0	-46.54	307.02	4.81	-41.73
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300007631129	0	39	-1.0	-55.43	302.93	5.48	-49.95
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007631130	0	40	-1.0	-58.35	329.93	4.21	-54.14
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007631131	0	34	-1.0	-46.94	290.99	4.37	-42.57
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007631132	0	34	-1.0	-49.07	307.60	4.97	-44.10
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007631133	0	34	-1.0	-46.70	305.87	4.93	-41.77
O=C([O-])C1COCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007631134	0	35	-1.0	-51.58	297.50	-2.81	-54.39
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007631135	0	33	-1.0	-57.83	276.11	3.38	-54.45
O=C([O-])C1COCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007631136	0	36	-1.0	-48.30	285.30	3.50	-44.80
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007631137	0	32	-1.0	-46.95	279.55	2.32	-44.63
O=C([O-])C1COCCN1S(=O)(=O)CCOC1CCOC1	REAL300007631138	0	38	-1.0	-51.64	309.11	0.43	-51.21
CC1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007631139	0	39	-1.0	-61.24	329.83	3.30	-57.94
O=C([O-])C1COCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007631140	0	47	-1.0	-52.50	331.34	6.07	-46.43
CC1(C)COC(CS(=O)(=O)N2CCOCC2C(=O)[O-])C1	REAL300007631141	0	40	-1.0	-51.21	314.97	2.52	-48.69
O=C([O-])C1COCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007631142	0	33	-1.0	-53.65	285.30	-1.07	-54.72
CC(C)(CS(=O)(=O)N1CCOCC1C(=O)[O-])C(C)(F)F	REAL300007631143	0	38	-1.0	-49.65	293.29	3.62	-46.03
CS(=O)(=O)CCCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631144	0	38	-1.0	-59.19	324.77	0.04	-59.15
CC1(C)CCC(CS(=O)(=O)N2CCOCC2C(=O)[O-])OC1	REAL300007631145	0	43	-1.0	-50.37	329.02	3.36	-47.01
O=C([O-])C1COCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007631146	0	40	-1.0	-49.81	324.82	5.53	-44.28
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007631147	0	34	-1.0	-50.94	302.34	2.29	-48.65
O=C([O-])C1COCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007631148	0	40	-1.0	-49.51	336.40	6.12	-43.39
O=C([O-])C1COCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007631149	0	39	-1.0	-56.46	307.42	1.02	-55.44
O=C([O-])C1COCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007631150	0	43	-1.0	-50.53	322.14	5.22	-45.31
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007631151	0	34	-1.0	-50.35	295.46	4.56	-45.79
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300007631152	0	52	-1.0	-51.83	379.74	7.21	-44.62
COC1=CC=C(C=C(C)S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007631153	0	41	-1.0	-51.14	328.77	4.16	-46.98
COC1=CSC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1OC	REAL300007631154	0	35	-1.0	-48.32	303.07	1.95	-46.37
O=C([O-])C1COCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007631155	0	42	-1.0	-52.19	311.96	3.68	-48.51
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631156	0	41	-1.0	-49.97	329.70	4.99	-44.98
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007631157	0	34	-1.0	-49.82	295.56	3.95	-45.87
COC1=CC(F)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300007631158	0	34	-1.0	-57.15	290.22	3.05	-54.10
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007631159	0	34	-1.0	-46.36	295.47	2.67	-43.69
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631160	0	36	-1.0	-55.01	295.32	3.41	-51.60
CN1C=CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300007631161	0	37	-1.0	-57.86	303.75	4.82	-53.04
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007631162	0	39	-1.0	-48.35	328.87	3.53	-44.82
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631163	0	43	-1.0	-57.80	344.11	5.82	-51.98
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007631164	0	41	-1.0	-51.27	341.87	6.22	-45.05
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631165	0	36	-1.0	-60.78	290.02	4.75	-56.03
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007631166	0	31	-1.0	-46.50	292.34	1.99	-44.51
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631167	0	41	-1.0	-57.46	333.69	4.67	-52.79
CCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CC2)=N1	REAL300007631168	0	40	-1.0	-51.15	331.39	3.92	-47.23
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NSN=C2C=C1	REAL300007631169	0	34	-1.0	-53.39	276.09	2.97	-50.42
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007631170	0	36	-1.0	-48.39	312.71	5.81	-42.58
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007631171	0	40	-1.0	-47.73	339.55	6.86	-40.87
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007631172	0	29	-1.0	-43.91	282.94	0.94	-42.97
CCC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Br	REAL300007631173	0	36	-1.0	-45.21	307.67	4.81	-40.40
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631174	0	43	-1.0	-51.34	341.47	4.02	-47.32
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007631175	0	27	-1.0	-48.64	260.37	2.73	-45.91
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631176	0	44	-1.0	-57.09	352.61	3.46	-53.63
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007631177	0	36	-1.0	-53.18	309.44	5.97	-47.21
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631178	0	38	-1.0	-52.11	301.60	1.12	-50.99
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007631179	0	37	-1.0	-54.75	279.63	4.57	-50.18
CC1(C)CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300007631180	0	41	-1.0	-48.52	303.54	3.30	-45.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007631181	0	45	-1.0	-51.07	354.59	3.64	-47.43
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631182	0	33	-1.0	-48.27	290.78	0.86	-47.41
COC1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300007631183	0	36	-1.0	-49.73	297.36	0.37	-49.36
CC(C)CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300007631184	0	39	-1.0	-55.37	318.89	3.21	-52.16
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631185	0	39	-1.0	-49.71	307.63	2.42	-47.29
O=C([O-])C1COCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007631186	0	40	-1.0	-42.02	304.68	0.52	-41.50
COCC1=CC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=NO1	REAL300007631187	0	36	-1.0	-60.11	308.65	1.12	-58.99
O=C([O-])C1COCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007631188	0	35	-1.0	-47.78	306.02	4.97	-42.81
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])N=C1	REAL300007631189	0	41	-1.0	-50.27	328.54	3.32	-46.95
CC(C)N1N=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631190	0	36	-1.0	-49.33	287.90	2.25	-47.08
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007631191	0	37	-1.0	-47.91	301.82	2.69	-45.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007631192	0	37	-1.0	-53.96	308.21	4.37	-49.59
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007631193	0	32	-1.0	-47.73	284.29	1.86	-45.87
O=C([O-])C1COCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007631194	0	35	-1.0	-54.24	287.29	3.75	-50.49
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=NN1C(C)C	REAL300007631195	0	39	-1.0	-56.71	307.67	2.28	-54.43
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007631196	0	44	-1.0	-47.77	357.43	6.39	-41.38
O=C([O-])C1COCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007631197	0	35	-1.0	-55.48	292.60	3.35	-52.13
CC1=CN=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300007631198	0	35	-1.0	-51.02	289.03	2.41	-48.61
O=C([O-])C1COCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007631199	0	33	-1.0	-46.95	279.95	2.83	-44.12
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631200	0	38	-1.0	-55.38	311.03	-0.70	-56.08
O=C([O-])C1COCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007631201	0	37	-1.0	-49.69	282.87	1.25	-48.44
N#CC1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300007631202	0	36	-1.0	-49.87	290.46	2.71	-47.16
COC1=CC=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007631203	0	33	-1.0	-56.27	278.76	1.42	-54.85
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C(F)F)=C1	REAL300007631204	0	37	-1.0	-57.19	302.57	3.52	-53.67
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])N=C1	REAL300007631205	0	33	-1.0	-49.99	281.52	0.31	-49.68
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631206	0	36	-1.0	-48.50	313.23	1.34	-47.16
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007631207	0	35	-1.0	-50.99	279.94	2.97	-48.02
CCOC1=CC=CN=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007631208	0	36	-1.0	-61.59	299.12	2.95	-58.64
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NC=CC=C12	REAL300007631209	0	38	-1.0	-59.44	305.44	4.64	-54.80
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CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631857	0	42	-1.0	-45.70	349.46	0.64	-45.06
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300007631858	0	43	-1.0	-48.83	350.21	5.85	-42.98
CC1=CC(F)=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631859	0	35	-1.0	-55.23	296.05	4.85	-50.38
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)CCC1	REAL300007631860	0	38	-1.0	-48.56	311.56	4.40	-44.16
COCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300007631861	0	39	-1.0	-44.90	322.83	3.76	-41.14
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=N1	REAL300007631862	0	38	-1.0	-46.11	316.79	1.63	-44.48
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300007631863	0	41	-1.0	-55.43	352.76	2.23	-53.20
CS(=O)(=O)CCCS(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631864	0	37	-1.0	-48.48	315.39	0.12	-48.36
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C(C)=C1C	REAL300007631865	0	42	-1.0	-44.03	324.29	4.44	-39.59
O=C([O-])CC1(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CCC1	REAL300007631866	0	37	-1.0	-48.49	314.14	4.90	-43.59
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(Br)C=C2)CCC1	REAL300007631867	0	35	-1.0	-41.50	311.44	5.45	-36.05
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)CCC1	REAL300007631868	0	37	-1.0	-47.78	308.63	4.41	-43.37
CN(C1CCOCC1)S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631869	0	41	-1.0	-43.81	311.38	2.29	-41.52
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=NN1C1=CC=CC=N1	REAL300007631870	0	41	-1.0	-57.68	343.94	5.28	-52.40
CCN1N=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1C	REAL300007631871	0	41	-1.0	-44.78	325.90	3.71	-41.07
CC(C)N1C=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=N1	REAL300007631872	0	38	-1.0	-49.13	312.65	3.03	-46.10
CC(C)CN1C=NC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631873	0	41	-1.0	-51.01	332.01	4.80	-46.21
CC(C)N1C=NC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631874	0	38	-1.0	-51.96	312.99	4.23	-47.73
CC(C)C1=NC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CN1	REAL300007631875	0	38	-1.0	-52.30	308.60	3.49	-48.81
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631876	0	44	-1.0	-56.38	319.15	6.46	-49.92
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CCC1	REAL300007631877	0	45	-1.0	-60.52	373.68	7.02	-53.50
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631878	0	40	-1.0	-48.31	333.78	3.42	-44.89
COC1=CC(Cl)=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1OC	REAL300007631879	0	40	-1.0	-44.89	334.26	3.71	-41.18
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1Br	REAL300007631880	0	35	-1.0	-55.55	307.72	5.31	-50.24
CC1=C(F)C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631881	0	35	-1.0	-54.30	289.37	5.07	-49.23
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCC1	REAL300007631882	0	38	-1.0	-54.56	324.87	6.84	-47.72
O=C([O-])CC1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CCC1	REAL300007631883	0	37	-1.0	-50.69	321.32	6.24	-44.45
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCC1	REAL300007631884	0	36	-1.0	-47.37	313.18	3.67	-43.70
O=C([O-])CC1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCC1	REAL300007631885	0	39	-1.0	-46.03	328.21	5.67	-40.36
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631886	0	47	-1.0	-44.36	365.20	5.33	-39.03
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CCC1	REAL300007631887	0	35	-1.0	-47.15	301.90	4.95	-42.20
COCC1=CC=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631888	0	43	-1.0	-44.64	349.76	3.46	-41.18
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633001	0	46	-1.0	-52.52	388.48	6.88	-45.64
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007633002	0	34	-1.0	-51.78	325.38	6.40	-45.38
COCC1=CC=C(OC)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633003	0	42	-1.0	-57.27	372.91	5.21	-52.06
COCCC(C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633004	0	37	-1.0	-38.25	319.13	3.75	-34.50
COC1=CC=C(F)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633005	0	35	-1.0	-55.14	324.23	5.56	-49.58
CCC(C)CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633006	0	36	-1.0	-39.25	311.33	5.43	-33.82
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007633007	0	49	-1.0	-40.55	380.77	7.24	-33.31
CC1=NC2=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=CC=C2C=C1	REAL300007633008	0	39	-1.0	-50.80	346.91	7.10	-43.70
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007633009	0	39	-1.0	-45.88	356.95	7.44	-38.44
CCN(CC1CC1)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633010	0	39	-1.0	-39.18	339.53	5.91	-33.27
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007633011	0	42	-1.0	-52.93	370.85	4.06	-48.87
CCCN1C=NC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633012	0	37	-1.0	-45.39	341.59	6.31	-39.08
COCCOCCOCCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633013	0	45	-1.0	-52.75	397.34	2.64	-50.11
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCOCC1CC1	REAL300007633014	0	38	-1.0	-53.77	344.01	4.85	-48.92
CC(COC1CCCC1)CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633015	0	47	-1.0	-38.93	392.85	6.92	-32.01
COCC(C)CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633016	0	37	-1.0	-38.88	326.04	3.87	-35.01
CCOCC(C)CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633017	0	40	-1.0	-38.89	347.90	4.85	-34.04
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007633018	0	39	-1.0	-52.33	351.79	3.28	-49.05
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007633019	0	35	-1.0	-50.95	333.99	5.82	-45.13
COC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007633020	0	37	-1.0	-41.38	349.56	6.31	-35.07
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633021	0	37	-1.0	-51.22	349.52	7.38	-43.84
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633022	0	37	-1.0	-44.56	344.19	7.28	-37.28
CC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300007633023	0	37	-1.0	-39.54	348.47	7.09	-32.45
CC(C)C1=CC=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633024	0	40	-1.0	-52.59	343.44	7.35	-45.24
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCCN1CCOCC1	REAL300007633025	0	43	-1.0	-58.19	366.64	2.52	-55.67
CCOC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633026	0	38	-1.0	-46.95	345.40	5.79	-41.16
COCCN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300007633027	0	38	-1.0	-48.27	349.03	2.92	-45.35
CC(C)(C)CCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633028	0	39	-1.0	-39.64	332.60	5.74	-33.90
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007633029	0	38	-1.0	-56.61	357.55	6.08	-50.53
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007633030	0	39	-1.0	-59.42	366.44	7.71	-51.71
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007633031	0	36	-1.0	-53.18	334.29	5.90	-47.28
CC1CCN(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300007633032	0	36	-1.0	-52.25	315.84	4.40	-47.85
COCC1=CC=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633033	0	38	-1.0	-50.24	337.86	5.52	-44.72
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007633034	0	34	-1.0	-50.36	333.24	4.38	-45.98
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007633035	0	34	-1.0	-52.43	327.21	4.20	-48.23
CC1(C)CC2=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C2O1	REAL300007633036	0	42	-1.0	-48.67	366.72	6.56	-42.11
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007633037	0	34	-1.0	-57.04	331.70	4.72	-52.32
CSC1=CC=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633038	0	35	-1.0	-44.29	317.27	6.05	-38.24
CCC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633039	0	37	-1.0	-43.33	336.92	7.01	-36.32
CCC1=CC=C(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633040	0	40	-1.0	-41.94	358.67	7.72	-34.22
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1=CC=CS1	REAL300007633041	0	34	-1.0	-40.32	327.51	6.15	-34.17
CC1=CC=C(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C	REAL300007633042	0	40	-1.0	-43.02	354.20	7.48	-35.54
CC(C)CN(C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633043	0	38	-1.0	-48.44	323.86	4.95	-43.49
CN(C1CCCC1)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633044	0	39	-1.0	-51.70	325.80	5.05	-46.65
CCCN(C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633045	0	35	-1.0	-47.96	304.92	3.99	-43.97
CC1(C)CN(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CCO1	REAL300007633046	0	40	-1.0	-47.04	335.42	3.52	-43.52
CC1=NOC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633047	0	33	-1.0	-59.00	313.64	4.42	-54.58
CC(C)N1N=CC2=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C21	REAL300007633048	0	43	-1.0	-52.94	383.79	7.07	-45.87
CCS(=O)(=O)NCCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633049	0	38	-1.0	-48.09	355.87	0.30	-47.79
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007633050	0	37	-1.0	-42.83	345.58	6.85	-35.98
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007633051	0	37	-1.0	-61.83	351.23	8.47	-53.36
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1CCCO1	REAL300007633052	0	38	-1.0	-42.29	333.79	4.35	-37.94
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007633053	0	37	-1.0	-54.41	354.19	7.31	-47.10
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007633054	0	42	-1.0	-43.29	373.18	6.89	-36.40
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007633055	0	40	-1.0	-43.32	360.28	8.42	-34.90
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1N(C)C	REAL300007633056	0	42	-1.0	-43.89	368.93	6.24	-37.65
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007633057	0	36	-1.0	-43.51	322.42	2.86	-40.65
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCOCC1CCCC1	REAL300007633058	0	44	-1.0	-41.52	376.77	6.02	-35.50
COC1=CC(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1Cl	REAL300007633059	0	38	-1.0	-53.14	355.28	6.22	-46.92
CSC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1Cl	REAL300007633060	0	35	-1.0	-44.21	349.23	7.04	-37.17
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633061	0	43	-1.0	-42.79	365.59	6.00	-36.79
COC(C)CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633062	0	34	-1.0	-39.93	308.66	3.27	-36.66
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007633063	0	39	-1.0	-41.93	365.20	4.13	-37.80
CCC1=NOC2=NC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C12	REAL300007633064	0	38	-1.0	-45.90	355.33	3.28	-42.62
CN1N=CC2=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CN=C21	REAL300007633065	0	36	-1.0	-42.96	338.41	4.69	-38.27
CCC1=CC(CC)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(CC)=C1	REAL300007633066	0	49	-1.0	-52.04	397.11	9.93	-42.11
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007633067	0	38	-1.0	-54.23	340.41	5.61	-48.62
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007633068	0	40	-1.0	-63.88	360.27	9.32	-54.56
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1F	REAL300007633069	0	38	-1.0	-51.27	336.16	5.32	-45.95
CC1(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CCCCC1	REAL300007633070	0	43	-1.0	-39.78	341.86	7.05	-32.73
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007633071	0	40	-1.0	-41.95	346.70	6.74	-35.21
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007633072	0	39	-1.0	-45.36	363.52	6.84	-38.52
CN1N=NC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633073	0	30	-1.0	-40.62	287.06	2.00	-38.62
COCC1=CC(Cl)=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633074	0	38	-1.0	-51.77	364.91	5.76	-46.01
CC1=CC=C(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(F)=C1	REAL300007633075	0	37	-1.0	-59.80	343.45	6.97	-52.83
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633076	0	43	0.0	-61.37	372.39	7.48	-53.89
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007633077	0	31	-1.0	-37.01	326.76	5.77	-31.24
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007633078	0	44	-1.0	-58.16	381.71	8.84	-49.32
CC(C)(C)C1=CC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=NO1	REAL300007633079	0	42	-1.0	-59.99	374.84	6.28	-53.71
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1CCC1	REAL300007633080	0	37	-1.0	-39.77	325.61	6.11	-33.66
CC(C)(C)CCCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633081	0	42	-1.0	-51.32	350.94	6.27	-45.05
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007633082	0	40	-1.0	-44.84	353.16	2.72	-42.12
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007633083	0	34	-1.0	-50.62	329.72	6.01	-44.61
CC1=C(CCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])SC=N1	REAL300007633084	0	36	-1.0	-41.95	340.81	4.78	-37.17
COCC1(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300007633085	0	35	-1.0	-58.82	302.20	5.06	-53.76
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC12CCC(CC1)C2	REAL300007633086	0	41	-1.0	-40.55	336.70	7.01	-33.54
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CC(F)(F)C1	REAL300007633087	0	34	-1.0	-38.40	317.31	5.51	-32.89
COC1=CC=C2C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CCC2=C1	REAL300007633088	0	43	-1.0	-53.11	372.96	7.10	-46.01
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC12CCC(CC1)CC2	REAL300007633089	0	44	-1.0	-40.54	349.45	7.56	-32.98
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1CCOC1	REAL300007633090	0	38	-1.0	-58.15	332.26	4.06	-54.09
CC(C)(CCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])S(C)(=O)=O	REAL300007633091	0	42	-1.0	-51.00	365.27	2.68	-48.32
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CCCCC1(F)F	REAL300007633092	0	40	-1.0	-43.68	345.71	6.73	-36.95
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007633093	0	38	-1.0	-55.74	343.43	7.66	-48.08
CN1C=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300007633094	0	31	-1.0	-55.72	300.35	3.15	-52.57
CCC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007633095	0	39	-1.0	-48.79	356.48	7.40	-41.39
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007633096	0	31	-1.0	-49.64	309.93	6.05	-43.59
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007633097	0	31	-1.0	-49.56	314.49	6.15	-43.41
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007633098	0	33	-1.0	-39.11	322.25	6.25	-32.86
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007633099	0	37	-1.0	-53.28	339.01	7.80	-45.48
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007633100	0	33	-1.0	-47.61	322.25	6.24	-41.37
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633101	0	36	-1.0	-53.44	329.78	6.64	-46.80
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633102	0	35	-1.0	-52.42	322.68	4.84	-47.58
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007633103	0	33	-1.0	-46.91	305.66	6.85	-40.06
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633104	0	34	-1.0	-42.97	315.46	6.25	-36.72
CCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633105	0	38	-1.0	-52.06	344.53	5.76	-46.30
CC1=CC(C)=C(C)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1C	REAL300007633106	0	43	-1.0	-42.94	345.56	7.80	-35.14
CC1=CC(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1	REAL300007633107	0	40	-1.0	-42.50	337.10	7.59	-34.91
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633108	0	46	-1.0	-49.53	373.09	8.11	-41.42
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007633109	0	34	-1.0	-43.30	333.10	6.60	-36.70
CC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633110	0	34	-1.0	-43.14	315.45	6.24	-36.90
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C=CC1=CC=CC=C1	REAL300007633111	0	35	-1.0	-52.82	327.24	6.80	-46.02
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007633112	0	34	-1.0	-59.39	321.24	6.88	-52.51
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007633113	0	31	-1.0	-42.50	310.78	6.09	-36.41
CC(=O)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633114	0	36	-1.0	-55.10	334.42	5.95	-49.15
CC1=CC=C(C)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633115	0	37	-1.0	-44.25	326.54	6.94	-37.31
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C	REAL300007633116	0	37	-1.0	-43.72	332.46	6.78	-36.94
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1	REAL300007633117	0	37	-1.0	-54.82	332.20	7.06	-47.76
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007633118	0	37	-1.0	-40.90	349.55	6.31	-34.59
CC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633119	0	43	-1.0	-42.89	370.24	7.90	-34.99
CC(C)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633120	0	40	-1.0	-42.77	354.26	7.51	-35.26
CCCC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633121	0	40	-1.0	-52.27	357.59	7.75	-44.52
COC1=CC=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633122	0	35	-1.0	-42.45	311.71	5.79	-36.66
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=CC=C1	REAL300007633123	0	34	-1.0	-42.19	315.78	6.27	-35.92
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007633124	0	35	-1.0	-49.07	339.18	5.33	-43.74
CC1=C(C)C(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1C	REAL300007633125	0	46	-1.0	-51.60	355.67	8.08	-43.52
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007633126	0	40	-1.0	-44.48	356.83	5.51	-38.97
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633127	0	47	-1.0	-56.64	393.99	7.80	-48.84
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007633128	0	36	-1.0	-48.81	338.24	6.76	-42.05
CC1=NNC(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633129	0	34	-1.0	-44.43	309.53	3.37	-41.06
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633130	0	49	-1.0	-42.70	391.89	9.26	-33.44
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007633131	0	34	-1.0	-39.20	332.78	6.58	-32.62
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007633132	0	41	-1.0	-52.43	355.83	8.02	-44.41
COC1=CC=C(OC)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633133	0	39	-1.0	-57.54	347.30	4.78	-52.76
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1OC	REAL300007633134	0	39	-1.0	-45.71	352.75	4.77	-40.94
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007633135	0	38	-1.0	-53.00	338.66	7.44	-45.56
CC1=NOC(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633136	0	33	-1.0	-46.78	304.16	4.40	-42.38
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007633137	0	39	-1.0	-52.90	343.51	7.81	-45.09
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007633138	0	36	-1.0	-43.77	330.00	5.42	-38.35
CC(C)CCC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633139	0	46	-1.0	-52.16	396.65	9.04	-43.12
CCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1OCC	REAL300007633140	0	45	-1.0	-43.52	396.47	6.62	-36.90
NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633141	0	36	-1.0	-55.76	347.38	0.49	-55.27
CC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007633142	0	39	-1.0	-51.30	357.51	7.37	-43.93
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1C	REAL300007633143	0	39	-1.0	-42.60	344.64	7.13	-35.47
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCCCCC1	REAL300007633144	0	39	-1.0	-40.09	324.41	5.57	-34.52
CC1=CC2=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C2N=C1	REAL300007633145	0	39	-1.0	-62.51	350.95	7.33	-55.18
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007633146	0	37	-1.0	-43.82	335.10	6.15	-37.67
COC1=CC(Cl)=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633147	0	35	-1.0	-39.36	328.13	6.33	-33.03
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633148	0	36	-1.0	-52.78	348.21	0.53	-52.25
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCCCC1	REAL300007633149	0	36	-1.0	-52.68	310.18	4.67	-48.01
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCCC1	REAL300007633150	0	33	-1.0	-48.51	292.70	3.65	-44.86
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007633151	0	40	-1.0	-50.36	347.67	6.69	-43.67
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=CC=CN=C12	REAL300007633152	0	39	-1.0	-44.00	337.25	6.32	-37.68
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C	REAL300007633153	0	39	-1.0	-66.84	350.88	8.41	-58.43
CC1CCN(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300007633154	0	39	-1.0	-39.88	334.21	5.41	-34.47
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007633155	0	43	-1.0	-62.64	379.63	4.85	-57.79
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633156	0	37	-1.0	-56.38	354.74	3.09	-53.29
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007633157	0	41	-1.0	-58.49	361.37	9.25	-49.24
CC1CC(C)CN(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300007633158	0	42	-1.0	-47.45	342.11	5.76	-41.69
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007633159	0	37	-1.0	-60.10	334.53	7.96	-52.14
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007633160	0	41	-1.0	-49.38	363.47	8.71	-40.67
CC1=CC=C(F)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633161	0	34	-1.0	-51.59	308.05	6.04	-45.55
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007633162	0	32	-1.0	-58.71	316.20	4.09	-54.62
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633163	0	35	-1.0	-54.78	334.56	6.01	-48.77
COC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633164	0	35	-1.0	-46.65	323.53	4.86	-41.79
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633165	0	46	-1.0	-42.79	384.47	8.37	-34.42
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1Cl	REAL300007633166	0	34	-1.0	-39.98	329.49	6.68	-33.30
CC(C)OC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633167	0	41	-1.0	-51.55	362.46	6.38	-45.17
CCC1=CC=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633168	0	37	-1.0	-41.48	316.29	6.83	-34.65
CC1=CC=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633169	0	34	-1.0	-55.18	310.82	6.38	-48.80
CC1=NC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CN1C	REAL300007633170	0	34	-1.0	-53.25	318.16	4.47	-48.78
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007633171	0	34	-1.0	-39.96	332.51	6.78	-33.18
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007633172	0	32	-1.0	-44.43	308.00	4.41	-40.02
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007633173	0	36	-1.0	-50.06	328.87	6.65	-43.41
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633174	0	37	-1.0	-40.70	345.35	6.12	-34.58
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1F	REAL300007633175	0	35	-1.0	-45.82	329.74	4.94	-40.88
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1F	REAL300007633176	0	34	-1.0	-40.00	320.76	6.28	-33.72
CC1=CC=C(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633177	0	37	-1.0	-42.21	337.19	6.95	-35.26
CN1C=NC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633178	0	31	-1.0	-46.15	298.28	4.65	-41.50
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CN=C1	REAL300007633179	0	30	-1.0	-51.35	288.14	3.70	-47.65
CC1CCCCN1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633180	0	39	-1.0	-40.11	321.03	5.42	-34.69
CC(C)N(C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633181	0	35	-1.0	-40.15	307.58	4.10	-36.05
CCCN(CCC)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633182	0	41	-1.0	-51.69	347.14	5.60	-46.09
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007633183	0	34	-1.0	-37.77	347.70	7.24	-30.53
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=CC=CC=C12	REAL300007633184	0	41	-1.0	-58.43	362.83	7.31	-51.12
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633185	0	36	-1.0	-50.61	339.01	7.05	-43.56
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633186	0	36	-1.0	-54.98	332.36	6.85	-48.13
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633187	0	39	-1.0	-53.07	354.75	7.94	-45.13
CC(C)CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633188	0	43	-1.0	-42.44	375.19	8.26	-34.18
COCCC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633189	0	41	-1.0	-52.53	369.76	6.04	-46.49
COCCN(CCOC)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633190	0	43	-1.0	-51.00	365.32	2.74	-48.26
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633191	0	34	-1.0	-51.09	318.24	6.49	-44.60
COC1=C(C)C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C	REAL300007633192	0	41	-1.0	-47.87	362.86	6.18	-41.69
CC(C)CCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633193	0	47	-1.0	-51.52	405.10	7.87	-43.65
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007633194	0	45	-1.0	-42.84	388.68	7.80	-35.04
CC(C)COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633195	0	44	-1.0	-51.63	386.14	7.26	-44.37
CCCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633196	0	41	-1.0	-51.68	366.03	6.56	-45.12
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1Cl	REAL300007633197	0	35	-1.0	-44.35	339.54	5.42	-38.93
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C	REAL300007633198	0	38	-1.0	-42.81	343.60	5.61	-37.20
CC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C1OC(C)C	REAL300007633199	0	44	-1.0	-43.27	383.37	7.16	-36.11
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1	REAL300007633200	0	38	-1.0	-54.27	340.23	5.69	-48.58
COCCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633201	0	42	-1.0	-54.30	378.16	5.03	-49.27
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=CC=C1F	REAL300007633202	0	34	-1.0	-58.23	322.02	6.29	-51.94
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1C	REAL300007633203	0	39	-1.0	-55.82	333.39	8.07	-47.75
CC1=NC(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300007633204	0	33	-1.0	-42.74	316.46	4.05	-38.69
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007633205	0	34	-1.0	-41.58	315.86	6.39	-35.19
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CCCC1	REAL300007633206	0	37	-1.0	-56.89	320.65	5.97	-50.92
COC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C1F	REAL300007633207	0	35	-1.0	-40.56	329.75	4.95	-35.61
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CSC=C1	REAL300007633208	0	28	-1.0	-51.03	284.47	4.45	-46.58
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007633209	0	41	-1.0	-44.05	368.22	8.98	-35.07
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007633210	0	34	-1.0	-38.13	349.30	7.29	-30.84
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CCCCC1	REAL300007633211	0	40	-1.0	-56.90	335.66	6.66	-50.24
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633212	0	39	-1.0	-48.28	341.45	7.17	-41.11
CNC(=O)C1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CN1C	REAL300007633213	0	39	-1.0	-54.90	357.63	3.17	-51.73
COC1=CC(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1	REAL300007633214	0	41	-1.0	-42.25	345.14	6.21	-36.04
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007633215	0	42	-1.0	-49.68	373.49	9.42	-40.26
COC1=CC(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C	REAL300007633216	0	41	-1.0	-54.59	359.31	6.40	-48.19
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007633217	0	39	-1.0	-52.88	334.53	6.55	-46.33
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007633218	0	36	-1.0	-46.79	317.18	5.60	-41.19
CCN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007633219	0	36	-1.0	-64.54	343.16	6.24	-58.30
CCC(=O)C1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633220	0	39	-1.0	-53.74	357.09	6.83	-46.91
CN(C1CC1)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633221	0	33	-1.0	-39.02	292.74	3.99	-35.03
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007633222	0	41	-1.0	-52.68	379.68	7.09	-45.59
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007633223	0	34	-1.0	-67.55	315.21	4.48	-63.07
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633224	0	53	-1.0	-51.90	416.12	7.91	-43.99
CC1=CC=CC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633225	0	37	-1.0	-42.33	337.19	6.94	-35.39
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007633226	0	34	-1.0	-40.15	322.19	6.33	-33.82
CC1=CC=CC=C1CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633227	0	37	-1.0	-57.44	332.39	6.84	-50.60
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633228	0	41	-1.0	-57.56	360.96	7.07	-50.49
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007633229	0	36	-1.0	-62.26	341.38	5.70	-56.56
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007633230	0	38	-1.0	-53.07	354.26	6.63	-46.44
CCOCCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633231	0	45	-1.0	-54.31	400.02	6.00	-48.31
CCCCCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633232	0	47	-1.0	-51.57	409.03	8.13	-43.44
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007633233	0	41	-1.0	-56.23	349.98	8.19	-48.04
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007633234	0	37	-1.0	-56.61	341.38	7.35	-49.26
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007633235	0	36	-1.0	-52.26	329.12	4.83	-47.43
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007633236	0	39	-1.0	-52.93	355.67	6.81	-46.12
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007633237	0	37	-1.0	-65.81	332.91	1.86	-63.95
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007633238	0	36	-1.0	-57.43	341.37	5.71	-51.72
CCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1	REAL300007633239	0	41	-1.0	-42.30	351.09	6.16	-36.14
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007633240	0	35	-1.0	-41.17	321.61	6.08	-35.09
CSC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633241	0	35	-1.0	-51.93	333.38	6.56	-45.37
CCCCCCCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633242	0	42	-1.0	-39.28	363.36	7.15	-32.13
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007633243	0	37	-1.0	-39.83	354.84	7.29	-32.54
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633244	0	42	-1.0	-55.71	360.65	7.19	-48.52
CCN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])N=C1C	REAL300007633245	0	37	-1.0	-47.01	339.85	5.37	-41.64
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007633246	0	37	-1.0	-46.04	331.91	5.23	-40.81
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007633247	0	36	-1.0	-43.40	316.73	5.47	-37.93
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CCCO1	REAL300007633248	0	35	-1.0	-61.57	312.41	3.88	-57.69
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CCCCO1	REAL300007633249	0	38	-1.0	-42.87	329.96	4.57	-38.30
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C(F)(F)F	REAL300007633250	0	37	-1.0	-39.32	348.47	7.10	-32.22
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007633251	0	40	-1.0	-54.26	357.89	7.13	-47.13
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C12	REAL300007633252	0	39	-1.0	-43.56	360.37	5.29	-38.27
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633253	0	38	-1.0	-58.41	361.62	6.14	-52.27
COCC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633254	0	38	-1.0	-44.19	349.10	5.30	-38.89
CC1(C)CC2=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C2O1	REAL300007633255	0	42	-1.0	-47.67	368.36	6.94	-40.73
CCN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300007633256	0	34	-1.0	-48.73	315.36	3.87	-44.86
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007633257	0	34	-1.0	-56.55	330.29	6.71	-49.84
CC(C1CC1)N(C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633258	0	39	-1.0	-39.88	335.11	5.49	-34.39
CN1N=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633259	0	31	-1.0	-41.33	289.92	3.08	-38.25
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007633260	0	34	-1.0	-44.32	342.69	7.18	-37.14
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CCOC1	REAL300007633261	0	35	-1.0	-38.93	310.34	3.40	-35.53
CC1CC2=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C2O1	REAL300007633262	0	39	-1.0	-51.72	350.17	6.14	-45.58
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633263	0	43	-1.0	-39.99	344.31	8.19	-31.80
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007633264	0	37	-1.0	-44.51	360.50	6.26	-38.25
CCCCCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633265	0	36	-1.0	-51.18	317.20	5.36	-45.82
COCCN(C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633266	0	36	-1.0	-46.46	314.01	2.43	-44.03
CN(CC1CC1)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633267	0	36	-1.0	-39.81	321.68	5.12	-34.69
CC1=NC(C2=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C2)=CO1	REAL300007633268	0	40	-1.0	-55.18	369.48	4.59	-50.59
CN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300007633269	0	34	-1.0	-39.86	329.45	4.03	-35.83
CC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C(C)O1	REAL300007633270	0	34	-1.0	-44.27	311.10	4.96	-39.31
CC1=CSC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633271	0	31	-1.0	-41.21	307.77	5.25	-35.96
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007633272	0	34	-1.0	-53.60	323.34	5.94	-47.66
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007633273	0	34	-1.0	-50.86	319.15	4.19	-46.67
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300007633274	0	34	-1.0	-50.20	320.32	2.21	-47.99
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CO1	REAL300007633275	0	28	-1.0	-52.78	276.34	3.54	-49.24
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=C2CCCN12	REAL300007633276	0	35	-1.0	-50.25	317.85	4.80	-45.45
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=COC=C1	REAL300007633277	0	28	-1.0	-48.02	271.81	3.20	-44.82
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])SC=C1	REAL300007633278	0	31	-1.0	-53.22	302.71	5.16	-48.06
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007633279	0	39	-1.0	-52.20	346.80	6.16	-46.04
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007633280	0	38	-1.0	-55.24	332.91	7.21	-48.03
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1CCOC1	REAL300007633281	0	32	-1.0	-56.41	287.90	2.62	-53.79
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CNC=N1	REAL300007633282	0	28	-1.0	-57.38	276.80	3.01	-54.37
CC1=CC=C(N2C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N2)C=C1	REAL300007633283	0	41	-1.0	-45.11	376.29	7.36	-37.75
CC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007633284	0	36	-1.0	-39.16	338.23	6.76	-32.40
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCCCF	REAL300007633285	0	33	-1.0	-51.73	302.29	4.72	-47.01
CC1=NN(C)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633286	0	34	-1.0	-42.53	311.94	3.83	-38.70
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])O1	REAL300007633287	0	31	-1.0	-43.66	298.85	4.40	-39.26
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])N(C)N=C1	REAL300007633288	0	34	-1.0	-45.23	302.07	3.63	-41.60
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007633289	0	33	-1.0	-51.22	325.14	5.01	-46.21
CN(C)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633290	0	39	-1.0	-44.62	345.11	5.96	-38.66
CC1=CC2=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C2C=C1	REAL300007633291	0	40	-1.0	-53.05	360.35	8.46	-44.59
COC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])SC=C1	REAL300007633292	0	32	-1.0	-45.12	314.51	4.62	-40.50
C=CCCCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633293	0	34	-1.0	-39.17	311.68	5.37	-33.80
CN(C)C1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633294	0	39	-1.0	-45.29	345.56	5.97	-39.32
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CCC1	REAL300007633295	0	34	-1.0	-57.06	305.05	5.33	-51.73
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007633296	0	36	-1.0	-46.13	321.08	5.98	-40.15
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007633297	0	36	-1.0	-60.26	340.07	5.60	-54.66
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007633298	0	36	-1.0	-53.32	328.89	5.37	-47.95
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007633299	0	37	-1.0	-55.81	354.95	7.56	-48.25
CN1CCCC2=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C21	REAL300007633300	0	43	-1.0	-47.56	368.24	6.11	-41.45
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007633301	0	33	-1.0	-49.22	327.88	4.76	-44.46
COC1=CC=CC(OC)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633302	0	39	-1.0	-60.40	345.14	6.05	-54.35
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633303	0	39	-1.0	-40.79	344.89	7.13	-33.66
CC1=CC=C(C)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300007633304	0	39	-1.0	-51.63	342.83	8.36	-43.27
CC1=CC(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007633305	0	39	-1.0	-47.55	348.48	7.41	-40.14
COC1=CC=C(CCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633306	0	41	-1.0	-57.11	367.73	6.34	-50.77
COC1=CN=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633307	0	34	-1.0	-50.97	317.72	3.00	-47.97
CC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300007633308	0	40	-1.0	-41.94	367.18	7.23	-34.71
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007633309	0	38	-1.0	-52.12	342.33	7.63	-44.49
COC1=CC(OC)=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633310	0	39	-1.0	-53.84	352.08	4.13	-49.71
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1CCCCC1	REAL300007633311	0	43	-1.0	-56.21	358.99	7.23	-48.98
CC1=CC=C(CCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633312	0	40	-1.0	-56.01	359.63	7.72	-48.29
CC1=CC2=C(C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])OCO2	REAL300007633313	0	37	-1.0	-52.32	336.75	5.05	-47.27
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007633314	0	34	-1.0	-46.22	313.71	6.21	-40.01
COC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C1Cl	REAL300007633315	0	35	-1.0	-40.36	339.57	5.43	-34.93
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1CCCC1	REAL300007633316	0	40	-1.0	-56.26	343.42	6.67	-49.59
CN1C=NC2=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C21	REAL300007633317	0	37	-1.0	-54.51	342.24	6.91	-47.60
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007633318	0	39	-1.0	-60.25	340.48	6.95	-53.30
CC1=NC2=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C2O1	REAL300007633319	0	36	-1.0	-45.19	337.72	3.24	-41.95
CCC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1CC	REAL300007633320	0	43	-1.0	-44.22	371.09	8.14	-36.08
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633321	0	39	-1.0	-38.89	343.90	7.59	-31.30
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633322	0	41	-1.0	-55.20	350.70	7.02	-48.18
CC1=C(C)SC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633323	0	34	-1.0	-52.53	326.60	5.95	-46.58
NC1=NC=C(Cl)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633324	0	32	-1.0	-49.60	315.67	3.44	-46.16
CC1=NC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300007633325	0	30	-1.0	-41.15	303.23	3.42	-37.73
CCC1=NC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300007633326	0	33	-1.0	-50.09	323.70	4.09	-46.00
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(N)=NO1	REAL300007633327	0	32	-1.0	-39.98	300.36	2.96	-37.02
CN(C)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300007633328	0	38	-1.0	-53.66	342.48	5.24	-48.42
CC1=CC(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300007633329	0	34	-1.0	-52.54	320.17	6.11	-46.43
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007633330	0	37	-1.0	-63.76	342.70	7.65	-56.11
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007633331	0	34	-1.0	-43.06	307.42	4.40	-38.66
CC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC(C)=C1F	REAL300007633332	0	37	-1.0	-40.73	341.10	6.92	-33.81
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007633333	0	38	-1.0	-44.91	350.02	5.34	-39.57
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007633334	0	44	-1.0	-41.00	392.81	7.11	-33.89
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007633335	0	35	-1.0	-47.52	323.63	5.51	-42.01
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007633336	0	33	-1.0	-47.30	321.52	5.35	-41.95
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300007633337	0	33	-1.0	-52.29	309.76	4.34	-47.95
CC1=NC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CS1	REAL300007633338	0	33	-1.0	-43.10	322.37	3.96	-39.14
COC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CC1	REAL300007633339	0	38	-1.0	-59.30	334.18	5.25	-54.05
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007633340	0	34	-1.0	-39.25	332.51	6.79	-32.46
CC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C1Cl	REAL300007633341	0	34	-1.0	-40.13	329.50	6.67	-33.46
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007633342	0	37	-1.0	-45.99	342.15	6.55	-39.44
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007633343	0	39	-1.0	-58.05	341.45	6.89	-51.16
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007633344	0	40	-1.0	-47.35	350.58	5.95	-41.40
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007633345	0	34	-1.0	-55.75	336.58	6.79	-48.96
CCC1(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300007633346	0	34	-1.0	-52.12	295.59	5.54	-46.58
CCC(C)OC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633347	0	44	-1.0	-47.61	384.06	7.23	-40.38
COC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCCC1	REAL300007633348	0	44	-1.0	-56.44	370.84	5.88	-50.56
COC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCCCC1	REAL300007633349	0	47	-1.0	-56.69	384.64	6.56	-50.13
CC1(C)CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CO1	REAL300007633350	0	38	-1.0	-54.89	330.66	4.09	-50.80
CCOC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CC1	REAL300007633351	0	41	-1.0	-58.10	357.05	5.85	-52.25
CCC1=NC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CN1CC1CC1	REAL300007633352	0	44	-1.0	-59.99	387.83	7.32	-52.67
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007633353	0	34	-1.0	-43.78	333.98	5.07	-38.71
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007633354	0	39	-1.0	-51.57	350.13	7.56	-44.01
CN1N=CC(C2CC2)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633355	0	38	-1.0	-48.75	337.07	5.37	-43.38
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633356	0	34	-1.0	-41.38	332.26	4.07	-37.31
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007633357	0	41	-1.0	-60.95	359.30	9.07	-51.88
CCC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C(C)C=C1OC	REAL300007633358	0	44	-1.0	-51.64	372.37	6.73	-44.91
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300007633359	0	33	-1.0	-59.03	317.71	4.42	-54.61
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007633360	0	40	-1.0	-45.07	342.04	8.54	-36.53
CC(C)OC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300007633361	0	40	-1.0	-49.27	362.31	4.04	-45.23
COC1=C(F)C=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633362	0	35	-1.0	-52.21	321.54	5.73	-46.48
CCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C(C)C	REAL300007633363	0	47	-1.0	-42.71	403.99	7.82	-34.89
CC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1F	REAL300007633364	0	43	-1.0	-40.20	372.25	7.84	-32.36
CN1N=C2CCCCC2=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633365	0	41	-1.0	-48.47	346.88	5.41	-43.06
CN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C(C)(C)C)=N1	REAL300007633366	0	43	-1.0	-56.31	367.72	6.00	-50.31
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007633367	0	41	-1.0	-52.22	361.16	5.87	-46.35
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633368	0	34	-1.0	-41.93	320.32	4.31	-37.62
COC1=CC=C(F)C=C1CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633369	0	38	-1.0	-58.77	351.29	5.69	-53.08
C=CCCC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633370	0	41	-1.0	-52.37	370.40	8.31	-44.06
CCC1=NN(C)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633371	0	37	-1.0	-56.38	341.33	4.68	-51.70
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007633372	0	35	-1.0	-52.27	343.97	7.32	-44.95
CCCOC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1CC	REAL300007633373	0	47	-1.0	-43.66	408.56	8.09	-35.57
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633374	0	37	-1.0	-39.44	332.41	7.44	-32.00
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCCC1CC1	REAL300007633375	0	37	-1.0	-56.75	331.42	6.37	-50.38
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007633376	0	35	-1.0	-43.89	340.78	7.21	-36.68
CCCC1=CC=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633377	0	40	-1.0	-41.18	337.50	7.49	-33.69
COC1=NC=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633378	0	34	-1.0	-44.81	314.91	2.84	-41.97
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007633379	0	36	-1.0	-49.39	316.93	5.43	-43.96
CC1=NC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])N1C	REAL300007633380	0	34	-1.0	-42.42	313.07	4.62	-37.80
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC=N1	REAL300007633381	0	30	-1.0	-54.89	290.25	3.80	-51.09
CC1=CSC(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633382	0	34	-1.0	-49.95	307.41	5.93	-44.02
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007633383	0	38	-1.0	-47.94	339.17	4.99	-42.95
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007633384	0	38	-1.0	-47.84	329.80	5.05	-42.79
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007633385	0	41	-1.0	-51.60	360.62	5.93	-45.67
CC1(C)COC2=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=NN2C1	REAL300007633386	0	42	-1.0	-47.55	367.38	3.67	-43.88
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007633387	0	37	-1.0	-51.21	360.52	6.41	-44.80
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=C2CCCCN12	REAL300007633388	0	38	-1.0	-48.60	333.73	5.52	-43.08
COC1=CC(C(C)C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C	REAL300007633389	0	47	-1.0	-55.63	397.67	7.66	-47.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633390	0	41	-1.0	-56.04	362.86	7.06	-48.98
CC1CC2=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C2O1	REAL300007633391	0	39	-1.0	-53.56	342.44	6.00	-47.56
CC(C)(C)C1=NC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300007633392	0	39	-1.0	-50.04	362.36	5.17	-44.87
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633393	0	36	-1.0	-60.92	330.98	4.94	-55.98
CCN1N=NC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633394	0	33	-1.0	-43.54	304.56	2.78	-40.76
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007633395	0	40	-1.0	-48.05	335.01	5.29	-42.76
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007633396	0	32	-1.0	-37.76	308.89	4.36	-33.40
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007633397	0	34	-1.0	-46.26	333.17	7.02	-39.24
CN1N=C(C2CC2)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633398	0	38	-1.0	-44.48	345.11	5.33	-39.15
CC1=CC(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1F	REAL300007633399	0	40	-1.0	-50.40	339.25	7.52	-42.88
COC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1OC	REAL300007633400	0	39	-1.0	-54.39	344.55	5.46	-48.93
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007633401	0	34	-1.0	-53.72	320.20	5.74	-47.98
CN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C2CCCC2)=N1	REAL300007633402	0	44	-1.0	-44.69	375.85	6.32	-38.37
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633403	0	43	-1.0	-43.37	368.74	6.02	-37.35
CCCCN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=N1	REAL300007633404	0	43	-1.0	-43.05	376.48	6.24	-36.81
CN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C2CC2)=N1	REAL300007633405	0	38	-1.0	-45.58	343.43	5.25	-40.33
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007633406	0	35	-1.0	-52.91	332.43	5.12	-47.79
CN1N=NC2=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=CC=C21	REAL300007633407	0	36	-1.0	-66.69	336.20	4.15	-62.54
CC1(C)CCCN(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300007633408	0	42	-1.0	-48.84	343.73	5.69	-43.15
CN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C2CCC2)=N1	REAL300007633409	0	41	-1.0	-44.60	358.49	5.75	-38.85
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633410	0	49	-1.0	-55.89	404.85	9.52	-46.37
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007633411	0	41	-1.0	-43.27	368.30	6.21	-37.06
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007633412	0	35	-1.0	-54.64	332.35	6.81	-47.83
COC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007633413	0	40	-1.0	-68.17	356.56	6.80	-61.37
CCCC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633414	0	40	-1.0	-43.44	358.42	7.79	-35.65
CN1N=C2CCCC2=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633415	0	38	-1.0	-49.63	333.13	4.85	-44.78
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007633416	0	37	-1.0	-41.14	320.75	4.93	-36.21
CC1=CC=CC(C)=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633417	0	37	-1.0	-50.68	308.48	6.55	-44.13
CC(C)(C)N1N=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633418	0	40	-1.0	-51.39	338.54	5.14	-46.25
CC(C)(C)N1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300007633419	0	40	-1.0	-43.14	358.82	5.28	-37.86
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007633420	0	38	-1.0	-56.18	345.30	4.69	-51.49
CC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300007633421	0	36	-1.0	-42.52	344.97	5.39	-37.13
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007633422	0	34	-1.0	-47.66	338.24	6.59	-41.07
CC1=NN(C)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633423	0	34	-1.0	-43.16	312.83	3.67	-39.49
CC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1C	REAL300007633424	0	37	-1.0	-55.51	326.48	6.92	-48.59
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633425	0	42	-1.0	-53.49	378.59	7.60	-45.89
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007633426	0	42	-1.0	-43.21	356.96	8.48	-34.73
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007633427	0	37	-1.0	-51.00	353.16	6.47	-44.53
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007633428	0	37	-1.0	-50.85	332.90	5.90	-44.95
CN(C1CCC1)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633429	0	36	-1.0	-52.57	311.85	4.61	-47.96
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007633430	0	38	-1.0	-46.58	345.07	3.91	-42.67
O=C([O-])CN(CCC(F)(F)F)C(=O)N1CCC(F)(F)CC1	REAL300007633431	0	35	-1.0	-39.21	295.20	7.28	-31.93
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007633432	0	31	-1.0	-56.75	316.38	5.77	-50.98
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007633433	0	38	-1.0	-42.65	343.26	7.68	-34.97
COC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=CS1	REAL300007633434	0	32	-1.0	-40.18	307.49	4.69	-35.49
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007633435	0	41	-1.0	-50.95	361.30	6.21	-44.74
CCC(C)N1N=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633436	0	40	-1.0	-40.29	346.35	5.25	-35.04
CN(C(C)(C)C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633437	0	38	-1.0	-48.71	310.24	4.41	-44.30
CCC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])O1	REAL300007633438	0	34	-1.0	-43.30	320.33	5.18	-38.12
CN(C1CCCCCC1)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633439	0	45	-1.0	-40.11	360.95	6.43	-33.68
CN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C2CCOCC2)=N1	REAL300007633440	0	45	-1.0	-53.50	387.24	4.59	-48.91
CC(F)(F)C1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633441	0	37	-1.0	-46.54	347.26	7.10	-39.44
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007633442	0	35	-1.0	-45.63	333.28	5.15	-40.48
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007633443	0	46	-1.0	-40.41	389.00	8.20	-32.21
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300007633444	0	32	-1.0	-41.44	317.97	4.02	-37.42
CC1=CC(C)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=NC=CC=C12	REAL300007633445	0	42	-1.0	-49.52	358.48	7.62	-41.90
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007633446	0	39	-1.0	-37.69	350.77	5.71	-31.98
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(CCF)N=C1	REAL300007633447	0	34	-1.0	-49.82	321.95	4.01	-45.81
CCOCC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633448	0	41	-1.0	-44.39	370.96	6.26	-38.13
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633449	0	41	-1.0	-48.62	368.95	6.73	-41.89
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007633450	0	44	-1.0	-43.29	380.67	6.51	-36.78
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC=C1CF	REAL300007633451	0	34	-1.0	-53.01	311.19	6.42	-46.59
CC1=CN=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633452	0	33	-1.0	-51.70	309.60	4.40	-47.30
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=CC=CC=C12	REAL300007633453	0	40	-1.0	-59.97	352.25	8.49	-51.48
CN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007633454	0	41	-1.0	-44.10	366.30	6.74	-37.36
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CC2CC1C2	REAL300007633455	0	34	-1.0	-42.53	304.25	4.41	-38.12
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007633456	0	35	-1.0	-52.55	333.65	6.87	-45.68
CCOCCCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633457	0	37	-1.0	-39.43	332.89	4.07	-35.36
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007633458	0	36	-1.0	-42.29	335.22	-0.50	-42.79
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007633459	0	34	-1.0	-56.00	322.35	6.01	-49.99
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1CCC(F)(F)CC1	REAL300007633460	0	37	-1.0	-37.08	321.34	5.85	-31.23
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007633461	0	33	-1.0	-48.16	324.91	4.96	-43.20
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCOC1CCOC1	REAL300007633462	0	39	-1.0	-44.65	346.86	2.75	-41.90
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1COCCO1	REAL300007633463	0	36	-1.0	-60.15	321.34	2.91	-57.24
CC1=NC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007633464	0	40	-1.0	-47.81	368.36	4.78	-43.03
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007633465	0	48	-1.0	-58.31	369.96	8.42	-49.89
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CCN1C=NN=N1	REAL300007633466	0	32	-1.0	-59.56	307.75	3.42	-56.14
CC1(C)COC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300007633467	0	41	-1.0	-60.52	353.54	4.73	-55.79
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007633468	0	34	-1.0	-65.37	323.95	1.23	-64.14
CC(C)(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)(F)F	REAL300007633469	0	39	-1.0	-44.17	331.02	6.00	-38.17
CS(=O)(=O)CCCCS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633470	0	39	-1.0	-52.24	362.51	2.36	-49.88
CC1(C)CCC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])OC1	REAL300007633471	0	44	-1.0	-59.86	367.26	5.89	-53.97
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007633472	0	41	-1.0	-39.96	362.55	7.85	-32.11
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007633473	0	35	-1.0	-62.99	340.94	4.58	-58.41
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007633474	0	40	-1.0	-62.10	347.01	2.99	-59.11
COCCC1(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300007633475	0	38	-1.0	-42.04	331.53	4.31	-37.73
CCN1N=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300007633476	0	33	-1.0	-46.97	315.35	2.44	-44.53
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007633477	0	44	-1.0	-40.56	359.56	7.55	-33.01
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007633478	0	35	-1.0	-52.50	337.42	6.86	-45.64
COC1=CC=C(C=C(C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300007633479	0	42	-1.0	-53.03	370.95	6.62	-46.41
CO[C@@H]1COC[C@@H]1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633480	0	36	-1.0	-54.48	314.22	2.15	-52.33
CC1=COC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633481	0	31	-1.0	-43.41	298.83	4.26	-39.15
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])O1	REAL300007633482	0	31	-1.0	-43.66	298.85	4.40	-39.26
CCC1=NNC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633483	0	34	-1.0	-55.32	319.01	3.36	-51.96
COC1=CSC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1OC	REAL300007633484	0	36	-1.0	-55.62	342.42	3.49	-52.13
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007633485	0	43	-1.0	-47.81	349.29	5.77	-42.04
CN(CCC1=CC=CC=C1)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633486	0	42	-1.0	-41.18	372.27	7.35	-33.83
COC1=CC(F)=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(F)=C1	REAL300007633487	0	35	-1.0	-44.48	331.72	5.14	-39.34
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007633488	0	35	-1.0	-42.15	339.51	5.22	-36.93
CN1N=C2C=CC=CC2=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633489	0	37	-1.0	-49.96	334.15	5.37	-44.59
CN1C=CC2=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C21	REAL300007633490	0	38	-1.0	-56.32	346.79	7.31	-49.01
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633491	0	37	-1.0	-48.54	325.77	6.99	-41.55
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633492	0	42	-1.0	-47.81	377.66	7.19	-40.62
CCN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C2CC2)=N1	REAL300007633493	0	41	-1.0	-45.34	364.98	6.12	-39.22
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=NSN=C2C=C1	REAL300007633494	0	35	-1.0	-42.75	325.00	4.62	-38.13
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007633495	0	37	-1.0	-51.34	355.69	8.30	-43.04
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007633496	0	30	-1.0	-38.26	321.44	3.55	-34.71
CC1=NN(C2CCCC2)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633497	0	44	-1.0	-43.06	375.06	6.60	-36.46
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=C(Cl)OC=C1	REAL300007633498	0	28	-1.0	-41.45	287.43	3.89	-37.56
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC(Cl)=CS1	REAL300007633499	0	28	-1.0	-39.78	303.00	5.09	-34.69
COCCC1=CC=C(OC)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633500	0	45	-1.0	-57.41	394.41	5.99	-51.42
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007633501	0	37	-1.0	-44.27	344.42	8.06	-36.21
CN1N=C2CCOCC2=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633502	0	39	-1.0	-46.23	340.74	3.11	-43.12
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007633503	0	38	-1.0	-54.75	327.77	7.22	-47.53
CC1(C)CCN(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300007633504	0	42	-1.0	-39.92	347.67	5.69	-34.23
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633505	0	34	-1.0	-51.20	332.38	3.36	-47.84
COC1=NC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1C	REAL300007633506	0	37	-1.0	-43.59	341.36	2.98	-40.61
CC(C)CN1C=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300007633507	0	40	-1.0	-53.41	356.66	5.67	-47.74
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633508	0	40	-1.0	-43.15	352.15	5.22	-37.93
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007633509	0	41	-1.0	-54.40	353.69	3.22	-51.18
COCC1=CC(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=NO1	REAL300007633510	0	37	-1.0	-58.83	347.30	3.43	-55.40
CC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])N=C1	REAL300007633511	0	42	-1.0	-53.15	368.51	5.97	-47.18
CC(C)N1N=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633512	0	37	-1.0	-40.14	328.13	4.61	-35.53
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007633513	0	38	-1.0	-42.37	340.10	5.67	-36.70
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007633514	0	38	-1.0	-50.25	347.98	6.79	-43.46
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007633515	0	33	-1.0	-53.04	324.30	4.51	-48.53
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007633516	0	36	-1.0	-60.09	325.35	5.83	-54.26
CC1=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C=NN1C(C)C	REAL300007633517	0	40	-1.0	-54.76	360.88	5.38	-49.38
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007633518	0	36	-1.0	-58.55	332.64	6.04	-52.51
CC1=CN=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)=C1	REAL300007633519	0	36	-1.0	-43.54	321.96	4.96	-38.58
CC1=CN=CC=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633520	0	33	-1.0	-52.61	306.61	4.58	-48.03
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CC=C(Br)CC1	REAL300007633521	0	34	-1.0	-49.55	322.55	5.13	-44.42
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633522	0	39	-1.0	-43.29	351.75	1.36	-41.93
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CC2CCC(C1)O2	REAL300007633523	0	38	-1.0	-42.08	325.38	3.70	-38.38
N#CC1CCN(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300007633524	0	37	-1.0	-39.70	331.79	5.02	-34.68
COC1=CC=NC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633525	0	34	-1.0	-52.31	314.85	2.72	-49.59
C=CCN(CC=C)S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633526	0	37	-1.0	-51.47	330.46	5.20	-46.27
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C(F)F)=C1	REAL300007633527	0	38	-1.0	-57.02	342.24	5.98	-51.04
COC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])N=C1	REAL300007633528	0	34	-1.0	-53.36	321.53	2.95	-50.41
CC1=CC=CN=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633529	0	33	-1.0	-47.32	299.44	4.25	-43.07
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007633530	0	36	-1.0	-56.32	330.31	6.05	-50.27
CCOC1=CC=CN=C1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300007633531	0	37	-1.0	-49.90	337.07	5.04	-44.86
CC1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])C2=NC=CC=C12	REAL300007633532	0	39	-1.0	-50.90	346.63	7.18	-43.72
CC1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=N1	REAL300007633533	0	33	-1.0	-41.68	310.86	4.42	-37.26
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007633534	0	35	-1.0	-46.08	323.21	5.37	-40.71
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCC(F)(F)C1	REAL300007633535	0	33	-1.0	-42.80	306.72	3.93	-38.87
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CN=CS1	REAL300007633536	0	27	-1.0	-50.84	279.82	2.67	-48.17
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007633537	0	33	-1.0	-59.34	323.31	4.58	-54.76
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300007633538	0	44	-1.0	-58.09	377.89	7.65	-50.44
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633539	0	37	-1.0	-60.93	311.95	5.19	-55.74
CCC(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633540	0	44	-1.0	-54.74	350.11	7.38	-47.36
O=C([O-])CC(NS(=O)(=O)C1=CC=C(Cl)S1)C1CC1	REAL300007633541	0	29	-1.0	-37.49	278.65	4.34	-33.15
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633542	0	39	-1.0	-58.86	333.88	4.97	-53.89
CC1=CC=C(Br)C=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633543	0	35	-1.0	-38.14	313.02	5.63	-32.51
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C1CC1	REAL300007633544	0	36	-1.0	-42.90	322.90	4.95	-37.95
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633545	0	38	-1.0	-61.93	332.15	2.33	-59.60
O=C([O-])CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C1CC1	REAL300007633546	0	36	-1.0	-51.17	317.44	4.60	-46.57
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1OC	REAL300007633547	0	43	-1.0	-42.88	350.34	4.22	-38.66
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633548	0	35	-1.0	-38.60	308.39	5.52	-33.08
CN(C1CCCCC1)S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633549	0	43	-1.0	-53.64	329.54	4.67	-48.97
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633550	0	38	-1.0	-44.84	313.94	3.14	-41.70
O=C([O-])CC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C1CC1	REAL300007633551	0	48	-1.0	-54.43	373.29	8.60	-45.83
O=C([O-])CC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1CC1	REAL300007633552	0	38	-1.0	-55.11	316.33	4.00	-51.11
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=C1Br)C1CC1	REAL300007633553	0	32	-1.0	-39.90	283.67	5.35	-34.55
O=C([O-])CC(NS(=O)(=O)C1=CC=CC(Br)=C1)C1CC1	REAL300007633554	0	32	-1.0	-52.53	292.74	5.42	-47.11
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633555	0	37	-1.0	-60.34	308.96	6.54	-53.80
O=C([O-])CC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1CC1	REAL300007633556	0	38	-1.0	-55.52	337.98	6.38	-49.14
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633557	0	42	-1.0	-67.16	359.93	0.89	-66.27
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633558	0	43	-1.0	-53.91	353.90	6.64	-47.27
CC1=CC(F)=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633559	0	35	-1.0	-52.40	300.37	5.57	-46.83
O=C([O-])CC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1CC1	REAL300007633560	0	38	-1.0	-53.79	322.86	4.77	-49.02
COCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633561	0	39	-1.0	-55.93	326.51	4.54	-51.39
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=N1	REAL300007633562	0	38	-1.0	-52.03	320.47	2.36	-49.67
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633563	0	41	-1.0	-68.40	356.46	3.01	-65.39
CS(=O)(=O)CCCS(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633564	0	37	-1.0	-71.29	324.96	0.41	-70.88
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C)=C1C	REAL300007633565	0	42	-1.0	-42.73	336.81	4.93	-37.80
O=C([O-])CC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C1CC1	REAL300007633566	0	37	-1.0	-42.19	334.84	4.93	-37.26
O=C([O-])CC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C1CC1	REAL300007633567	0	35	-1.0	-56.33	321.04	5.72	-50.61
O=C([O-])CC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1CC1	REAL300007633568	0	37	-1.0	-56.45	312.92	5.16	-51.29
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CC(=O)[O-])C2CC2)CC1	REAL300007633569	0	42	-1.0	-58.86	340.91	-0.19	-59.05
CN(C1CCOCC1)S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633570	0	41	-1.0	-39.53	319.44	2.08	-37.45
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=NN1C1=CC=CC=N1	REAL300007633571	0	41	-1.0	-49.32	348.85	5.32	-44.00
CCN1N=C(C)C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1C	REAL300007633572	0	41	-1.0	-53.98	334.11	4.12	-49.86
CC(C)N1C=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=N1	REAL300007633573	0	38	-1.0	-55.40	315.92	3.81	-51.59
CC(C)CN1C=NC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633574	0	41	-1.0	-49.60	346.18	5.22	-44.38
CC(C)N1C=NC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633575	0	38	-1.0	-50.56	327.08	4.63	-45.93
CC(C)C1=NC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=CN1	REAL300007633576	0	38	-1.0	-62.77	315.69	3.13	-59.64
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633577	0	44	-1.0	-45.66	324.39	6.36	-39.30
O=C([O-])CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C1CC1	REAL300007633578	0	45	-1.0	-50.20	381.79	7.06	-43.14
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633579	0	40	-1.0	-62.01	338.27	4.19	-57.82
COC1=CC(Cl)=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1OC	REAL300007633580	0	40	-1.0	-54.01	335.57	4.65	-49.36
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1Br	REAL300007633581	0	35	-1.0	-52.69	310.94	5.99	-46.70
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633582	0	35	-1.0	-41.94	296.07	4.88	-37.06
O=C([O-])CC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C1CC1	REAL300007633583	0	38	-1.0	-42.06	332.57	6.87	-35.19
O=C([O-])CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C1CC1	REAL300007633584	0	37	-1.0	-40.53	327.97	6.22	-34.31
O=C([O-])CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C1CC1	REAL300007633585	0	36	-1.0	-54.44	317.32	4.49	-49.95
O=C([O-])CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C1CC1	REAL300007633586	0	39	-1.0	-44.46	342.71	5.47	-38.99
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633587	0	47	-1.0	-52.49	372.80	5.60	-46.89
O=C([O-])CC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1CC1	REAL300007633588	0	35	-1.0	-53.76	303.63	5.67	-48.09
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633589	0	43	-1.0	-46.43	361.46	4.18	-42.25
O=C([O-])CC(NS(=O)(=O)C1=COC2=CC=CC=C21)C1CC1	REAL300007634001	0	35	-1.0	-45.46	307.82	4.44	-41.02
CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C2CCCC2)=N1	REAL300007634002	0	45	-1.0	-46.27	361.98	4.84	-41.43
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007634003	0	44	-1.0	-53.75	356.51	4.93	-48.82
CCCCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C)=N1	REAL300007634004	0	44	-1.0	-46.75	366.56	4.76	-41.99
CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300007634005	0	39	-1.0	-47.19	334.52	3.92	-43.27
O=C([O-])CC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1CC1	REAL300007634006	0	36	-1.0	-56.31	310.69	4.38	-51.93
CN1N=NC2=C(S(=O)(=O)NC(CC(=O)[O-])C3CC3)C=CC=C21	REAL300007634007	0	37	-1.0	-55.69	322.92	2.54	-53.15
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1Br	REAL300007634008	0	38	-1.0	-38.76	330.35	6.05	-32.71
CC1(C)CCCN(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C1	REAL300007634009	0	43	-1.0	-54.63	333.87	4.80	-49.83
O=C([O-])CC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C1CC1	REAL300007634010	0	38	-1.0	-50.58	345.38	5.39	-45.19
CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C2CCC2)=N1	REAL300007634011	0	42	-1.0	-46.60	348.18	4.38	-42.22
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007634012	0	50	-1.0	-40.21	385.43	7.96	-32.25
O=C([O-])CC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1CC1	REAL300007634013	0	38	-1.0	-38.94	341.28	6.09	-32.85
O=C([O-])CC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1CC1	REAL300007634014	0	42	-1.0	-53.10	345.17	5.39	-47.71
O=C([O-])CC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C1CC1	REAL300007634015	0	36	-1.0	-43.14	298.32	5.75	-37.39
O=C([O-])CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C1CC1	REAL300007634016	0	43	-1.0	-42.09	376.56	7.52	-34.57
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COC1=CSC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1OC	REAL300007634076	0	37	-1.0	-39.86	310.31	2.59	-37.27
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CN(CCC1=CC=CC=C1)S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007634078	0	43	-1.0	-55.07	357.86	6.23	-48.84
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COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2CC2)C(F)=C1	REAL300007634080	1	35	-2.0	-128.39	314.11	3.90	-124.49
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CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007634087	0	38	-1.0	-44.32	312.46	5.98	-38.34
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CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300007634090	0	42	-1.0	-47.48	356.03	4.79	-42.69
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C2=NSN=C2C=C1	REAL300007634091	0	36	-1.0	-43.93	317.78	3.58	-40.35
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CC1(C)CCN(S(=O)(=O)NC(CC(=O)[O-])C2CC2)CC1	REAL300007634102	0	43	-1.0	-53.20	320.60	4.26	-48.94
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CC(C)CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=N1	REAL300007634106	0	41	-1.0	-55.62	334.13	4.89	-50.73
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COCC1=CC(CS(=O)(=O)NC(CC(=O)[O-])C2CC2)=NO1	REAL300007634109	0	38	-1.0	-58.57	330.34	2.25	-56.32
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CC(C)N1N=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007634112	0	38	-1.0	-43.07	320.33	3.48	-39.59
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CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007634118	0	46	-1.0	-54.52	379.68	8.28	-46.24
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CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007634121	0	40	-1.0	-62.40	331.89	0.07	-62.33
O=C([O-])CC(NS(=O)(=O)N1CC2CCC(C1)O2)C1CC1	REAL300007634122	0	39	-1.0	-52.78	310.77	2.48	-50.30
N#CC1CCN(S(=O)(=O)NC(CC(=O)[O-])C2CC2)CC1	REAL300007634123	0	38	-1.0	-58.73	318.56	3.88	-54.85
COC1=CC=NC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007634124	0	35	-1.0	-46.66	306.92	1.69	-44.97
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C(F)F)=C1	REAL300007634125	0	39	-1.0	-43.92	325.11	4.77	-39.15
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)N=C1	REAL300007634126	0	35	-1.0	-44.18	289.12	3.13	-41.05
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007634127	0	38	-1.0	-53.35	328.48	3.10	-50.25
O=C([O-])CC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C1CC1	REAL300007634128	0	37	-1.0	-44.68	314.18	4.54	-40.14
CCOC1=CC=CN=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007634129	0	38	-1.0	-49.56	319.62	3.43	-46.13
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300007634130	0	40	-1.0	-50.36	335.83	5.43	-44.93
O=C([O-])CC(NS(=O)(=O)C1=CNC2=CC=CC=C21)C1CC1	REAL300007634131	0	36	-1.0	-47.71	311.75	4.11	-43.60
O=C([O-])CC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C1CC1	REAL300007634132	0	34	-1.0	-44.73	309.35	3.23	-41.50
O=C([O-])CC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12)C1CC1	REAL300007634133	0	39	-1.0	-45.22	350.32	5.11	-40.11
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007634134	0	45	-1.0	-44.71	367.97	6.73	-37.98
CN(C)S(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634135	0	42	-1.0	-56.21	362.76	1.97	-54.24
CCCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634136	0	46	-1.0	-59.06	393.41	4.00	-55.06
CCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634137	0	40	-1.0	-59.15	350.41	2.43	-56.72
CS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634138	0	37	-1.0	-59.68	328.94	1.54	-58.14
CCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634139	0	43	-1.0	-58.95	371.91	3.22	-55.73
CCN(C)S(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634140	0	45	-1.0	-51.57	384.40	2.80	-48.77
CCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634141	0	40	-1.0	-59.15	350.41	2.43	-56.72
CCCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634142	0	46	-1.0	-59.06	393.41	4.00	-55.06
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C=C1	REAL300007634143	0	41	-1.0	-57.88	359.86	3.30	-54.58
COCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634144	0	44	-1.0	-58.13	384.08	1.50	-56.63
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(S(=O)(=O)CC3CC3)CC2)C=C1	REAL300007634145	0	44	-1.0	-59.27	382.00	4.00	-55.27
C=CCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634146	0	44	-1.0	-58.86	384.72	3.78	-55.08
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(S(=O)(=O)CCCF)CC2)C=C1	REAL300007634147	0	43	-1.0	-61.76	378.50	3.36	-58.40
C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007634148	0	44	-1.0	-58.93	384.74	3.66	-55.27
CC1(S(=O)(=O)N2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300007634149	0	44	-1.0	-51.68	377.05	4.33	-47.35
CC(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634150	0	39	-1.0	-57.49	342.70	5.02	-52.47
CCC(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634151	0	46	-1.0	-50.13	378.59	7.14	-42.99
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)S1	REAL300007634152	0	31	-1.0	-49.14	308.88	4.16	-44.98
COC1=CC=C(C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634153	0	41	-1.0	-52.53	341.84	5.04	-47.49
CC1=CC=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634154	0	37	-1.0	-50.29	336.77	5.97	-44.32
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007634155	0	38	-1.0	-51.14	336.98	4.87	-46.27
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634156	0	40	-1.0	-58.39	360.61	2.07	-56.32
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007634157	0	38	-1.0	-50.20	345.91	4.34	-45.86
COC1=CC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1OC	REAL300007634158	0	45	-1.0	-52.84	373.38	4.66	-48.18
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634159	0	37	-1.0	-49.14	331.34	5.95	-43.19
CN(C1CCCCC1)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634160	0	45	-1.0	-49.78	357.04	4.98	-44.80
CC1=NN(C)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634161	0	40	-1.0	-52.81	336.61	3.58	-49.23
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007634162	0	50	-1.0	-49.91	401.77	8.35	-41.56
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007634163	0	40	-1.0	-52.68	344.40	3.70	-48.98
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1Br	REAL300007634164	0	34	-1.0	-51.00	316.37	5.29	-45.71
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007634165	0	34	-1.0	-50.34	321.22	5.16	-45.18
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634166	0	39	-1.0	-56.77	333.58	6.89	-49.88
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007634167	0	40	-1.0	-52.92	361.90	6.56	-46.36
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634168	0	44	-1.0	-62.05	382.96	1.10	-60.95
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634169	0	45	-1.0	-53.27	382.53	6.38	-46.89
CC1=CC(F)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634170	0	37	-1.0	-50.41	327.74	5.28	-45.13
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007634171	0	40	-1.0	-52.35	345.62	5.05	-47.30
COCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634172	0	41	-1.0	-51.66	354.99	4.28	-47.38
CCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300007634173	0	40	-1.0	-50.93	348.95	2.17	-48.76
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634174	0	43	-1.0	-62.56	384.94	2.75	-59.81
CS(=O)(=O)CCCS(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634175	0	39	-1.0	-65.44	348.89	0.58	-64.86
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1C	REAL300007634176	0	44	-1.0	-51.11	360.32	5.36	-45.75
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007634177	0	39	-1.0	-51.82	351.04	5.04	-46.78
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007634178	0	37	-1.0	-53.16	344.97	5.88	-47.28
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007634179	0	39	-1.0	-53.77	340.89	4.93	-48.84
CN(C1CCOCC1)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634180	0	43	-1.0	-50.36	347.76	2.59	-47.77
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007634181	0	43	-1.0	-55.07	373.25	5.88	-49.19
CCN1N=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1C	REAL300007634182	0	43	-1.0	-52.49	359.34	4.49	-48.00
CC(C)N1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300007634183	0	40	-1.0	-52.62	344.67	3.62	-49.00
CC(C)CN1C=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634184	0	43	-1.0	-55.25	364.49	5.51	-49.74
CC(C)N1C=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634185	0	40	-1.0	-55.47	345.36	4.91	-50.56
CC(C)C1=NC(S(=O)(=O)NCCCCCC(=O)[O-])=CN1	REAL300007634186	0	40	-1.0	-54.10	341.69	3.13	-50.97
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634187	0	46	-1.0	-50.79	352.34	7.05	-43.74
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634188	0	42	-1.0	-60.74	366.39	3.96	-56.78
COC1=CC(Cl)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1OC	REAL300007634189	0	42	-1.0	-51.31	360.25	3.80	-47.51
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Br	REAL300007634190	0	37	-1.0	-50.36	339.42	5.74	-44.62
CC1=C(F)C=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634191	0	37	-1.0	-50.23	320.64	5.36	-44.87
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007634192	0	40	-1.0	-50.51	355.33	7.32	-43.19
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007634193	0	39	-1.0	-50.91	353.06	6.79	-44.12
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007634194	0	38	-1.0	-52.48	345.39	4.19	-48.29
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007634195	0	41	-1.0	-53.24	357.18	6.23	-47.01
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634196	0	49	-1.0	-52.25	392.68	5.56	-46.69
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007634197	0	37	-1.0	-51.39	332.10	5.41	-45.98
COCC1=CC=C(OC)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634198	0	45	-1.0	-53.65	375.51	4.09	-49.56
CCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007635001	0	31	-1.0	-46.85	298.00	2.10	-44.75
CCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007635002	0	39	-1.0	-53.20	332.99	4.26	-48.94
CCC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007635003	0	31	-1.0	-45.90	294.50	2.11	-43.79
CCC(NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300007635004	0	31	-1.0	-54.11	300.83	4.61	-49.50
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1	REAL300007635005	0	40	-1.0	-57.42	358.95	2.23	-55.19
CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300007635006	0	45	-1.0	-55.47	392.30	2.71	-52.76
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1	REAL300007635007	0	45	-1.0	-64.59	398.41	1.50	-63.09
CCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007635008	0	36	-1.0	-55.70	334.18	-0.21	-55.91
CCC(NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300007635009	0	42	-1.0	-48.36	389.35	0.67	-47.69
CCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300007635010	0	43	-1.0	-62.63	378.33	0.53	-62.10
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C(F)=C1	REAL300007635011	0	42	-1.0	-56.96	377.36	1.48	-55.48
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C(F)=C1	REAL300007635011	1	41	-2.0	-97.30	374.63	1.55	-95.75
CCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007635012	0	39	-1.0	-67.23	330.57	3.08	-64.15
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1F	REAL300007635013	0	42	-1.0	-54.38	377.14	1.46	-52.92
CCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007635014	0	43	-1.0	-49.67	351.01	3.86	-45.81
CCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300007635015	0	39	-1.0	-54.83	355.89	0.66	-54.17
CCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007635016	0	43	-1.0	-57.33	369.23	3.43	-53.90
CCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007635017	0	40	-1.0	-60.08	341.78	2.37	-57.71
CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007635018	0	37	-1.0	-53.31	338.46	1.48	-51.83
CCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007635019	0	38	-1.0	-48.65	345.36	0.35	-48.30
CCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1Br	REAL300007635020	0	35	-1.0	-50.65	326.99	3.91	-46.74
CCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007635021	0	42	-1.0	-47.34	362.07	6.09	-41.25
CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007635022	0	32	-1.0	-43.58	311.12	3.63	-39.95
CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007635023	0	34	-1.0	-52.82	335.96	1.11	-51.71
CCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007635024	0	35	-1.0	-44.76	321.49	3.58	-41.18
CCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007635025	0	42	-1.0	-45.69	367.04	4.98	-40.71
CCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007635026	0	35	-1.0	-57.09	322.93	4.06	-53.03
CCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007635027	0	40	-1.0	-45.34	344.76	4.57	-40.77
CCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007635028	0	35	-1.0	-46.46	315.57	-2.26	-48.72
CCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007635029	0	34	-1.0	-53.77	310.21	4.34	-49.43
CCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007635030	0	31	-1.0	-43.48	311.94	5.02	-38.46
CCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007635031	0	34	-1.0	-43.44	318.78	5.79	-37.65
CCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007635032	0	31	-1.0	-52.15	307.89	4.87	-47.28
CCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007635033	0	34	-1.0	-47.10	313.64	5.91	-41.19
CCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635034	0	34	-1.0	-55.64	316.52	4.79	-50.85
CCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007635035	0	39	-1.0	-44.95	336.02	4.36	-40.59
CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007635036	0	42	-1.0	-56.97	370.32	6.45	-50.52
CCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007635037	0	41	-1.0	-57.57	362.67	4.58	-52.99
CCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007635038	0	39	-1.0	-45.10	351.55	0.05	-45.05
CCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007635039	0	37	-1.0	-45.69	324.84	6.02	-39.67
CCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007635040	0	39	-1.0	-52.94	330.10	3.64	-49.30
CCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007635041	0	34	-1.0	-43.26	312.99	4.93	-38.33
CCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007635042	0	35	-1.0	-55.70	312.30	3.49	-52.21
CCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007635043	0	37	-1.0	-51.70	339.32	1.26	-50.44
CCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007635044	0	32	-1.0	-50.45	310.44	4.48	-45.97
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC)C(=O)[O-]	REAL300007635045	0	40	-1.0	-51.73	328.29	3.44	-48.29
CCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007635046	0	36	-1.0	-45.94	325.20	1.61	-44.33
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C12	REAL300007635047	0	35	-1.0	-46.62	317.54	0.77	-45.85
CCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007635048	0	39	-1.0	-49.06	351.80	2.84	-46.22
CCC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007635049	0	34	-1.0	-52.56	322.41	5.89	-46.67
CCC1=CC(CC)=C(S(=O)(=O)NC(CC)C(=O)[O-])C(CC)=C1	REAL300007635050	0	46	-1.0	-43.62	356.83	7.68	-35.94
CCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300007635051	0	42	-2.0	-104.66	374.90	0.29	-104.37
CCC(NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300007635051	1	43	-1.0	-66.09	372.94	0.13	-65.96
CCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007635052	0	34	-1.0	-41.13	324.91	1.15	-39.98
CCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007635053	0	37	-1.0	-65.79	319.10	6.66	-59.13
CCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007635054	0	35	-1.0	-51.48	301.79	3.16	-48.32
CCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007635055	0	37	-1.0	-43.25	310.04	4.31	-38.94
CCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007635056	0	46	0.0	-84.89	369.54	4.13	-80.76
CCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007635057	0	36	-1.0	-47.66	325.74	4.36	-43.30
CCC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007635058	0	35	-1.0	-41.79	325.84	3.26	-38.53
CCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007635059	0	40	0.0	-84.44	333.87	4.89	-79.55
CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007635060	0	28	-1.0	-39.04	286.61	3.24	-35.80
CCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007635061	0	41	-1.0	-57.25	344.12	6.26	-50.99
CCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007635062	0	39	-1.0	-56.60	337.25	3.71	-52.89
CCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007635063	0	37	-1.0	-47.19	312.68	0.16	-47.03
CCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007635064	0	31	-1.0	-46.44	292.48	3.52	-42.92
CCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007635064	1	30	-2.0	-126.79	284.92	3.81	-122.98
CCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007635065	0	40	-1.0	-54.24	340.60	4.73	-49.51
CCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007635066	0	39	-1.0	-58.70	328.11	0.13	-58.57
CCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C(=O)[O-]	REAL300007635067	0	43	-1.0	-55.69	378.67	6.26	-49.43
CCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300007635068	0	47	-1.0	-51.28	397.02	3.76	-47.52
CCC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007635069	0	36	-1.0	-59.14	317.65	4.84	-54.30
CCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007635070	0	28	-1.0	-50.66	276.82	3.61	-47.05
CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007635071	0	33	-1.0	-59.38	295.67	4.50	-54.88
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(CC)C(=O)[O-]	REAL300007635072	0	35	-1.0	-43.33	325.28	4.41	-38.92
CCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007635073	0	43	-1.0	-56.79	343.72	6.13	-50.66
CCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007635074	0	31	-1.0	-41.13	295.03	4.06	-37.07
CCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007635075	0	31	-1.0	-59.84	273.06	3.76	-56.08
CCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007635076	0	34	-1.0	-60.19	310.74	3.75	-56.44
CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300007635077	0	44	-1.0	-55.71	383.65	0.58	-55.13
CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300007635078	0	45	-1.0	-55.13	392.28	2.70	-52.43
CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007635079	0	39	-1.0	-55.49	350.27	1.03	-54.46
CCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007635080	0	32	-1.0	-51.15	305.38	2.96	-48.19
CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007635081	0	34	-1.0	-37.71	331.84	5.05	-32.66
CCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007635082	0	31	-1.0	-50.49	294.76	4.20	-46.29
CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007635083	0	42	-1.0	-52.21	365.38	6.53	-45.68
CCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635084	0	32	-1.0	-50.78	301.26	2.80	-47.98
CCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007635085	0	43	-1.0	-53.92	329.26	6.08	-47.84
CCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007635086	0	37	-1.0	-52.94	318.05	2.95	-49.99
CCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007635087	0	44	-1.0	-47.30	360.77	5.17	-42.13
CCC(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007635088	0	35	-1.0	-47.37	329.48	5.42	-41.95
CCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007635089	0	33	-1.0	-59.66	299.69	4.18	-55.48
CCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007635090	0	32	-1.0	-56.82	304.86	3.51	-53.31
CCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007635091	0	46	-1.0	-43.19	355.73	6.82	-36.37
CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007635092	0	31	-1.0	-50.03	293.98	4.01	-46.02
CCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007635093	0	36	-1.0	-60.74	313.30	2.18	-58.56
CCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007635094	0	36	-1.0	-53.28	314.20	2.19	-51.09
CCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007635095	0	43	-1.0	-53.76	358.98	6.49	-47.27
CCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1OCC	REAL300007635096	0	42	-1.0	-54.40	357.70	4.06	-50.34
CCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007635097	0	33	-1.0	-57.18	309.77	-2.05	-59.23
CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007635098	0	36	-1.0	-58.40	312.73	5.05	-53.35
CCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007635099	0	36	-1.0	-50.49	300.76	4.71	-45.78
CCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007635100	0	34	-1.0	-55.87	299.35	3.81	-52.06
CCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007635101	0	32	-1.0	-53.80	300.44	3.39	-50.41
CCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007635102	0	33	-1.0	-49.41	310.13	-1.95	-51.36
CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007635103	0	40	-1.0	-49.57	365.32	0.92	-48.65
CCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007635104	0	36	-1.0	-55.69	321.08	4.51	-51.18
CCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007635105	0	36	-1.0	-47.75	312.29	4.36	-43.39
CCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007635106	0	36	-1.0	-58.38	309.11	5.70	-52.68
CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007635107	0	39	-1.0	-49.53	352.27	1.06	-48.47
CCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007635108	0	40	-1.0	-66.86	342.23	2.34	-64.52
CCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007635109	0	34	-1.0	-59.19	316.20	0.52	-58.67
CCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007635110	0	38	-1.0	-56.25	318.08	6.78	-49.47
CCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007635111	0	38	-1.0	-54.29	329.44	6.42	-47.87
CCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007635112	0	42	-1.0	-54.61	347.84	5.13	-49.48
CCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007635113	0	29	-1.0	-55.95	280.67	1.39	-54.56
CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007635114	0	32	-1.0	-56.90	300.30	3.41	-53.49
CCC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300007635115	0	43	-1.0	-53.28	345.72	5.80	-47.48
CCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007635116	0	38	-1.0	-52.69	324.74	3.84	-48.85
CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007635117	0	33	-1.0	-51.59	308.41	5.50	-46.09
CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007635118	0	39	-1.0	-54.21	360.77	6.40	-47.81
CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007635119	0	34	-1.0	-51.47	311.92	3.54	-47.93
CCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007635120	0	39	-1.0	-51.34	360.68	6.38	-44.96
CCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007635121	0	43	-1.0	-52.81	373.69	5.14	-47.67
CCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007635122	0	55	-1.0	-43.00	411.81	8.96	-34.04
CCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007635123	0	44	-1.0	-48.70	365.46	6.34	-42.36
CCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007635124	0	31	-1.0	-38.93	307.22	4.67	-34.26
CCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007635125	0	38	-1.0	-47.41	325.37	4.77	-42.64
CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300007635126	0	46	-1.0	-54.82	392.40	3.00	-51.82
CCC(NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300007635127	0	44	-1.0	-43.36	373.57	0.69	-42.67
CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007635128	0	33	-1.0	-49.93	295.65	4.49	-45.44
CCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007635129	0	33	-1.0	-50.53	290.13	4.34	-46.19
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC)C(=O)[O-]	REAL300007635130	0	36	-1.0	-59.74	312.35	5.34	-54.40
CCC(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007635131	0	38	-1.0	-53.75	331.85	3.52	-50.23
CCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007635132	0	38	-1.0	-44.79	327.62	3.91	-40.88
CCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007635133	0	44	-1.0	-53.08	367.39	5.32	-47.76
CCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007635134	0	42	-1.0	-52.22	349.90	5.23	-46.99
CCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007635135	0	41	-1.0	-53.28	348.42	4.72	-48.56
CCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1	REAL300007635136	0	38	-1.0	-53.03	328.08	4.03	-49.00
CCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007635137	0	32	-1.0	-51.18	300.99	2.84	-48.34
CCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007635138	0	32	-1.0	-52.05	310.51	3.14	-48.91
CCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007635139	0	41	-1.0	-52.82	344.81	4.59	-48.23
CCC(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007635140	0	39	-1.0	-55.90	340.45	2.49	-53.41
CCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007635141	0	31	-1.0	-51.32	288.78	4.45	-46.87
CCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007635142	0	36	-1.0	-50.02	304.87	5.92	-44.10
CCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007635143	0	37	-1.0	-65.10	328.16	1.36	-63.74
CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007635144	0	40	-1.0	-55.44	364.50	0.85	-54.59
CCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007635145	0	38	-1.0	-54.69	329.72	6.41	-48.28
CCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007635146	0	31	-1.0	-54.95	312.31	4.72	-50.23
CCC(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007635147	0	34	-1.0	-45.60	333.49	3.60	-42.00
CCC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007635148	0	48	-1.0	-52.09	389.84	6.63	-45.46
CCC(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300007635149	0	36	-1.0	-55.52	320.03	0.68	-54.84
CCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007635150	0	38	-1.0	-43.37	308.94	3.79	-39.58
CCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007635151	0	39	-1.0	-46.86	338.26	7.15	-39.71
CCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007635152	0	38	-1.0	-55.18	316.81	3.85	-51.33
CCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007635153	0	36	-1.0	-54.93	301.39	4.23	-50.70
CCC(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007635154	0	33	-1.0	-54.02	304.15	3.83	-50.19
CCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007635154	1	32	-2.0	-134.72	304.03	3.62	-131.10
CCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635155	0	35	-1.0	-53.56	326.42	3.68	-49.88
CCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007635156	0	42	-1.0	-53.80	366.76	6.27	-47.53
CCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007635157	0	38	-1.0	-46.14	342.28	4.63	-41.51
CCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300007635158	0	50	-1.0	-42.63	389.04	5.95	-36.68
CCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007635159	0	36	-1.0	-57.87	332.57	-0.39	-58.26
CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007635160	0	43	-1.0	-53.62	378.23	2.19	-51.43
CCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C2=CC=CC=C12	REAL300007635161	0	41	-1.0	-46.58	341.97	5.52	-41.06
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC)C(=O)[O-]	REAL300007635162	0	38	-1.0	-47.25	327.91	4.42	-42.83
CCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007635163	0	33	-1.0	-61.36	303.78	3.18	-58.18
CCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007635164	0	35	-1.0	-48.36	314.61	4.16	-44.20
CCOCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1	REAL300007635165	0	42	-1.0	-55.86	362.30	3.46	-52.40
CCCCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1	REAL300007635166	0	44	-1.0	-53.24	371.32	5.58	-47.66
CCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635167	0	32	-1.0	-51.95	311.90	4.45	-47.50
CCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007635168	0	36	-1.0	-52.44	315.19	4.24	-48.20
CCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007635169	0	33	-1.0	-59.02	303.53	3.19	-55.83
CCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C(C)=C1	REAL300007635170	0	38	-1.0	-53.90	318.86	4.03	-49.87
CCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007635171	0	32	-1.0	-55.80	293.34	3.16	-52.64
CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300007635172	0	46	-1.0	-52.83	393.42	3.06	-49.77
CCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007635173	0	34	-1.0	-43.01	317.69	4.76	-38.25
CCC(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300007635174	0	39	-1.0	-42.02	325.47	4.83	-37.19
CCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007635175	0	34	-1.0	-48.05	299.39	2.74	-45.31
CCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007635176	0	40	-1.0	-56.16	350.19	5.04	-51.12
CCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007635177	0	34	-1.0	-54.71	309.67	4.52	-50.19
CCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007635178	0	34	-1.0	-46.96	329.13	3.82	-43.14
CCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007635179	0	37	-1.0	-56.42	320.09	4.61	-51.81
CCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007635180	0	36	-1.0	-50.96	321.84	2.70	-48.26
CCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007635181	0	39	-1.0	-47.45	316.30	4.75	-42.70
CCC(NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300007635182	0	36	-1.0	-44.83	332.25	2.86	-41.97
CCC(NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300007635183	0	41	-1.0	-62.17	376.37	5.19	-56.98
CCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007635184	0	36	-1.0	-56.52	314.57	3.65	-52.87
CCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007635185	0	31	-1.0	-45.36	302.21	4.60	-40.76
CCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007635186	0	40	-1.0	-42.51	340.49	1.95	-40.56
CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007635187	0	39	-1.0	-52.94	360.68	6.38	-46.56
CCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007635188	0	34	-1.0	-47.86	305.01	4.30	-43.56
CCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007635189	0	34	-1.0	-46.91	339.46	4.26	-42.65
CCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007635190	0	37	-1.0	-55.61	331.65	2.08	-53.53
CCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007635191	0	31	-1.0	-52.11	289.03	1.84	-50.27
CCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007635191	1	30	-2.0	-128.43	293.67	1.65	-126.78
CCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007635192	0	38	-1.0	-52.30	338.24	4.80	-47.50
CCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007635193	0	36	-1.0	-54.00	329.30	4.11	-49.89
CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007635194	0	33	-1.0	-49.50	299.70	4.18	-45.32
CCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007635195	0	39	-1.0	-58.73	344.07	3.76	-54.97
CCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007635196	0	30	-1.0	-46.16	286.04	2.53	-43.63
CCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007635197	0	37	-1.0	-54.96	322.75	5.92	-49.04
CCC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007635198	0	34	-1.0	-55.34	317.36	5.00	-50.34
CCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007635199	0	40	-1.0	-54.46	329.70	3.55	-50.91
CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007635200	0	30	-1.0	-42.45	291.03	2.31	-40.14
CCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007635201	0	36	-1.0	-62.61	307.75	3.56	-59.05
CCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007635202	0	36	-1.0	-49.55	311.75	5.02	-44.53
CCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007635203	0	36	-1.0	-51.56	307.62	6.22	-45.34
CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007635204	0	36	-1.0	-59.60	311.35	4.85	-54.75
CCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007635205	0	38	-1.0	-56.39	329.89	3.80	-52.59
CCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007635206	0	37	-1.0	-43.60	327.03	4.69	-38.91
CCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007635207	0	36	-1.0	-48.29	315.28	1.67	-46.62
CCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007635208	0	34	-1.0	-41.84	291.78	2.49	-39.35
CCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007635209	0	32	-1.0	-50.11	300.76	2.87	-47.24
CCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007635210	0	36	-1.0	-61.77	304.41	4.55	-57.22
CCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007635211	0	36	-1.0	-39.20	308.52	5.25	-33.95
CCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007635212	0	38	-1.0	-48.03	314.98	4.63	-43.40
CCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007635213	0	34	-1.0	-48.52	299.58	4.91	-43.61
CCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007635214	0	35	-1.0	-48.85	310.04	2.78	-46.07
CCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007635215	0	30	-1.0	-58.52	286.76	2.56	-55.96
CCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007635216	0	37	-1.0	-54.57	341.73	4.46	-50.11
CCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007635217	0	35	-1.0	-47.33	319.15	0.89	-46.44
CCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007635218	0	37	-1.0	-50.92	317.96	3.44	-47.48
CCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007635219	0	31	-1.0	-41.67	295.17	4.22	-37.45
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1	REAL300007635220	0	53	-1.0	-53.10	435.81	7.93	-45.17
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(CC)C(=O)[O-]	REAL300007635221	0	38	-1.0	-56.68	348.41	5.21	-51.47
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CC)C(=O)[O-])=C1	REAL300007635222	0	41	-1.0	-53.79	345.56	4.65	-49.14
CCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007635223	0	44	-1.0	-55.78	346.82	4.03	-51.75
CCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007635224	0	42	-1.0	-52.06	372.95	6.34	-45.72
CCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1C(C)C	REAL300007635225	0	47	-1.0	-53.54	386.71	6.06	-47.48
CCC1=NC(S(=O)(=O)NC(CC)C(=O)[O-])=CN1CC1CC1	REAL300007635226	0	41	-1.0	-59.85	347.11	5.12	-54.73
CCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007635227	0	36	-1.0	-50.57	315.95	5.37	-45.20
CCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007635228	0	41	-1.0	-53.03	349.19	4.96	-48.07
CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007635229	0	31	-1.0	-47.28	296.57	1.70	-45.58
CCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007635230	0	39	-1.0	-53.05	355.87	7.11	-45.94
CCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007635231	0	38	-1.0	-48.98	317.54	6.31	-42.67
CCC(NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300007635232	0	48	-1.0	-45.92	409.38	7.93	-37.99
CCC1=CC(S(=O)(=O)NC(CC)C(=O)[O-])=C(C)C=C1OC	REAL300007635233	0	41	-1.0	-55.59	338.83	4.60	-50.99
CCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007635234	0	34	-1.0	-49.85	326.48	4.89	-44.96
CCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007635235	0	37	-1.0	-47.34	304.21	6.09	-41.25
CCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007635236	0	37	-1.0	-43.68	325.47	1.62	-42.06
CCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1C(C)C	REAL300007635237	0	44	-1.0	-54.29	365.45	5.25	-49.04
CCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007635238	0	40	-1.0	-54.18	333.70	5.24	-48.94
CCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007635239	0	47	-1.0	-56.64	380.74	7.52	-49.12
CCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007635240	0	38	-1.0	-50.37	311.81	3.05	-47.32
CCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007635241	0	40	-1.0	-56.97	320.31	3.17	-53.80
CCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007635242	0	38	-1.0	-48.11	323.70	3.42	-44.69
CCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007635243	0	31	-1.0	-40.79	284.64	1.84	-38.95
CCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007635244	0	35	-1.0	-46.31	313.21	3.18	-43.13
CCCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1C(C)C	REAL300007635245	0	50	-1.0	-52.00	408.21	6.84	-45.16
CCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007635246	0	32	-1.0	-42.12	302.68	4.75	-37.37
CCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1C(C)(C)C	REAL300007635247	0	50	-1.0	-53.88	399.27	6.72	-47.16
CCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1CC	REAL300007635248	0	44	-1.0	-53.28	369.78	5.52	-47.76
CCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007635249	0	34	-1.0	-39.75	296.23	5.00	-34.75
CCC(NS(=O)(=O)C1=CC=C(OCCOC)C(Br)=C1)C(=O)[O-]	REAL300007635250	0	39	-1.0	-52.84	360.86	3.15	-49.69
CCC(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007635251	0	34	-1.0	-55.63	316.21	4.90	-50.73
CCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007635252	0	32	-1.0	-54.36	302.87	4.64	-49.72
CCC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007635253	0	44	-1.0	-52.09	369.99	5.76	-46.33
CCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300007635254	0	43	-1.0	-52.17	384.39	6.85	-45.32
CCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007635255	0	38	-1.0	-51.73	311.21	3.28	-48.45
CCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007635256	0	39	-1.0	-45.02	315.20	1.40	-43.62
CCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007635257	0	34	-1.0	-52.83	322.92	3.95	-48.88
CCCCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1C(C)C	REAL300007635258	0	53	-1.0	-53.76	429.95	7.61	-46.15
CCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007635259	0	44	-1.0	-57.82	347.87	4.47	-53.35
CCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007635260	0	38	-1.0	-43.44	327.93	4.54	-38.90
CCOCCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1C(C)C	REAL300007635261	0	51	-1.0	-56.14	420.93	5.47	-50.67
CCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007635262	0	36	-1.0	-51.25	324.82	2.70	-48.55
CCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007635263	0	34	-1.0	-46.58	306.81	3.66	-42.92
CCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007635264	0	37	-1.0	-43.90	308.49	5.33	-38.57
CCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007635265	0	36	-1.0	-54.81	312.15	2.91	-51.90
CCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007635266	0	41	-1.0	-46.82	339.51	3.83	-42.99
CCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007635267	0	40	-1.0	-51.58	331.09	3.46	-48.12
CCCCN1C=C(S(=O)(=O)NC(CC)C(=O)[O-])C(C)=N1	REAL300007635268	0	40	-1.0	-52.66	343.13	3.65	-49.01
CCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007635269	0	32	-1.0	-55.48	294.50	2.59	-52.89
CCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007635270	0	34	-1.0	-55.42	307.20	5.00	-50.42
CCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007635271	0	34	-1.0	-50.03	324.51	4.14	-45.89
CCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007635272	0	38	-1.0	-47.24	327.89	3.45	-43.79
CCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007635273	0	46	-1.0	-57.98	356.47	6.33	-51.65
CCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007635274	0	34	-1.0	-50.77	326.73	4.87	-45.90
CCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007635275	0	38	-1.0	-47.02	330.29	3.71	-43.31
CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007635276	0	39	-1.0	-56.99	353.73	5.90	-51.09
CCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007635277	0	37	-1.0	-71.87	319.18	4.38	-67.49
CCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007635278	0	33	-1.0	-47.56	306.52	2.81	-44.75
CCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007635279	0	31	-1.0	-39.35	301.45	4.13	-35.22
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CC)C(=O)[O-])=C1	REAL300007635280	0	39	-1.0	-58.75	340.10	5.03	-53.72
CCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007635281	0	39	-1.0	-55.95	324.84	6.08	-49.87
CCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007635282	0	34	-1.0	-51.67	318.48	4.08	-47.59
CCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300007635283	0	38	-1.0	-51.31	351.73	3.77	-47.54
CCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007635284	0	28	-1.0	-50.79	262.95	2.94	-47.85
CCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007635285	0	38	-1.0	-52.62	315.97	3.40	-49.22
CCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007635286	0	42	-1.0	-52.04	345.67	1.87	-50.17
CCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007635287	0	34	-1.0	-52.42	308.74	4.53	-47.89
CCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007635288	0	32	-1.0	-45.80	295.56	2.64	-43.16
CCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007635289	0	43	-1.0	-54.10	350.68	5.65	-48.45
CCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007635290	0	39	-1.0	-52.87	324.92	5.38	-47.49
CCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007635291	0	36	-1.0	-39.34	311.83	3.19	-36.15
CCOCC1=CC=CC(S(=O)(=O)NC(CC)C(=O)[O-])=C1	REAL300007635292	0	38	-1.0	-54.95	332.21	3.70	-51.25
CCC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007635293	0	31	-1.0	-46.05	315.58	5.08	-40.97
CCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007635294	0	38	-1.0	-52.02	325.64	3.71	-48.31
CCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007635295	0	41	-1.0	-47.72	342.69	4.02	-43.70
CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007635296	0	39	-1.0	-52.29	343.92	5.86	-46.43
CCC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007635297	0	34	-1.0	-42.60	313.99	4.81	-37.79
CCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007635298	0	37	-1.0	-47.00	309.51	5.76	-41.24
CCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007635299	0	38	-1.0	-55.07	324.83	4.30	-50.77
CCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007635300	0	32	-1.0	-42.06	307.24	4.85	-37.21
CCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007635301	0	32	-1.0	-52.81	309.68	4.86	-47.95
CCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007635302	0	30	-1.0	-53.08	286.15	2.40	-50.68
CCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007635303	0	37	-1.0	-52.24	323.03	3.28	-48.96
CCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007635303	1	36	-2.0	-146.79	324.80	2.31	-144.48
CCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007635304	0	45	-1.0	-57.36	332.12	5.87	-51.49
CCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007635305	0	36	-1.0	-53.39	322.02	-0.20	-53.59
CCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007635306	0	32	-1.0	-64.29	303.35	2.01	-62.28
CCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007635307	0	38	-1.0	-57.47	337.06	5.86	-51.61
CCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007635308	0	50	-1.0	-54.98	384.86	7.18	-47.80
CCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007635309	0	39	-1.0	-55.01	329.23	4.01	-51.00
CCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007635310	0	33	-1.0	-57.37	296.44	0.44	-56.93
CCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007635311	0	39	-1.0	-40.00	324.58	4.69	-35.31
CCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007635312	0	32	-1.0	-53.54	304.57	3.84	-49.70
CCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007635313	0	32	-1.0	-43.82	291.59	2.60	-41.22
CCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007635313	1	31	-2.0	-136.47	286.74	2.91	-133.56
CCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007635314	0	32	-1.0	-56.40	300.72	2.66	-53.74
CCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007635315	0	37	-1.0	-42.92	335.17	3.55	-39.37
CCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007635316	0	41	-1.0	-54.89	344.00	5.35	-49.54
CCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007635317	0	39	-1.0	-53.45	343.97	5.85	-47.60
CCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007635318	0	34	-1.0	-66.17	285.11	4.18	-61.99
CCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007635319	0	29	-1.0	-43.99	284.25	1.92	-42.07
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CC)C(=O)[O-])=C1	REAL300007635320	0	39	-1.0	-54.02	338.95	4.64	-49.38
CCC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300007635321	0	38	-1.0	-48.10	333.19	3.74	-44.36
CCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007635322	0	32	-1.0	-64.04	294.72	2.42	-61.62
CCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007635323	0	34	-1.0	-52.81	317.86	5.79	-47.02
CCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007635324	0	38	-1.0	-44.79	347.23	7.00	-37.79
CCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007635325	0	27	-1.0	-47.26	274.15	1.85	-45.41
CCC1=CC(S(=O)(=O)NC(CC)C(=O)[O-])=CC=C1Br	REAL300007635326	0	34	-1.0	-50.65	314.28	4.89	-45.76
CCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007635327	0	41	-1.0	-46.13	343.01	4.27	-41.86
CCC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300007635328	0	42	-1.0	-46.28	361.23	3.33	-42.95
CCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007635329	0	34	-1.0	-44.98	309.57	5.78	-39.20
CCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007635330	0	36	-1.0	-50.42	303.01	0.70	-49.72
CCC(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007635331	0	34	-1.0	-44.98	318.88	2.86	-42.12
CCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007635332	0	43	-1.0	-52.98	357.15	3.39	-49.59
CCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007635333	0	31	-1.0	-41.46	281.03	0.98	-40.48
CCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007635334	0	38	-1.0	-54.17	309.23	0.49	-53.68
CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007635335	0	33	-1.0	-55.06	303.26	5.00	-50.06
CCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007635336	0	39	-1.0	-57.79	328.84	3.46	-54.33
CCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007635337	0	35	-1.0	-51.18	311.33	4.27	-46.91
CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007635338	0	42	-1.0	-52.55	364.33	6.55	-46.00
CCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007635339	0	31	-1.0	-39.53	287.14	2.77	-36.76
CCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007635340	0	36	-1.0	-60.09	307.57	-1.39	-61.48
CCC(NS(=O)(=O)C1=CC=C(OCC2=CC=C(C(C)C)C=C2)C=C1)C(=O)[O-]	REAL300007635341	0	51	-1.0	-53.50	426.98	8.20	-45.30
CCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007635342	0	35	-1.0	-61.52	297.31	2.98	-58.54
CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007635343	0	34	-1.0	-40.50	305.12	1.17	-39.33
CCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007635344	0	36	-1.0	-62.16	312.99	4.31	-57.85
CCC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007635345	0	35	-1.0	-53.14	328.19	3.97	-49.17
CCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007635346	0	41	-1.0	-47.35	345.67	5.07	-42.28
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635347	0	28	-1.0	-40.77	270.13	3.75	-37.02
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007635348	0	29	-1.0	-48.76	276.76	2.44	-46.32
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007635349	0	31	-1.0	-52.19	293.38	-0.30	-52.49
CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007635350	0	29	-1.0	-41.95	278.69	1.97	-39.98
COC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OC	REAL300007635351	0	36	-1.0	-44.04	308.18	2.20	-41.84
CC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007635352	0	41	-1.0	-43.13	334.56	5.98	-37.15
CC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007635353	0	25	-1.0	-44.09	250.61	2.96	-41.13
CC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007635354	0	25	-1.0	-42.64	254.16	2.79	-39.85
CC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007635355	0	35	-1.0	-49.16	315.45	-1.25	-50.41
CC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007635356	0	34	-1.0	-55.08	317.74	0.39	-54.69
CC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007635357	0	30	-1.0	-49.59	289.68	2.58	-47.01
CC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007635358	0	28	-1.0	-42.15	277.41	3.52	-38.63
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635359	0	42	-1.0	-48.79	374.54	1.25	-47.54
CC(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007635360	0	35	-1.0	-53.66	303.49	-2.23	-55.89
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007635361	0	34	-1.0	-49.23	307.84	3.55	-45.68
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007635362	0	38	-1.0	-51.44	338.39	5.17	-46.27
CC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007635363	0	33	-1.0	-53.12	299.24	1.57	-51.55
CC(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007635364	0	31	-1.0	-42.23	301.03	3.35	-38.88
COC1=CC(Cl)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OC	REAL300007635365	0	33	-1.0	-47.02	303.76	1.93	-45.09
COC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(OC)C=C1Br	REAL300007635366	0	33	-1.0	-47.37	310.27	1.90	-45.47
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007635367	0	28	-1.0	-46.76	270.51	3.27	-43.49
CC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007635368	0	31	-1.0	-43.93	289.43	5.00	-38.93
CC(NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300007635369	0	35	-1.0	-47.37	326.30	6.13	-41.24
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007635370	0	30	-1.0	-42.23	284.67	4.35	-37.88
COCCOC1=C(Cl)C=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300007635371	0	36	-1.0	-44.62	351.81	2.82	-41.80
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007635372	0	29	-1.0	-46.87	276.49	1.72	-45.15
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007635373	0	32	-1.0	-47.16	299.42	3.39	-43.77
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635374	0	40	-1.0	-47.83	329.50	3.47	-44.36
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635375	0	36	-1.0	-52.38	315.25	1.65	-50.73
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637001	0	48	-1.0	-60.47	401.48	5.33	-55.14
CCC1=CC=C(CS(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637002	0	46	-1.0	-53.12	388.06	7.48	-45.64
O=C([O-])CCCCCCNS(=O)(=O)CCC1=CC=CS1	REAL300007637003	0	40	-1.0	-52.26	356.90	5.92	-46.34
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637004	0	46	-1.0	-58.51	403.58	3.75	-54.76
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637005	0	47	-1.0	-59.92	402.63	2.67	-57.25
CC1=CC=C(CS(=O)(=O)NCCCCCCC(=O)[O-])C=C1C	REAL300007637006	0	46	-1.0	-53.55	383.59	7.24	-46.31
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007637007	0	51	-1.0	-53.22	429.59	8.39	-44.83
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007637008	0	41	-1.0	-50.83	368.41	5.94	-44.89
CN(C1CCCC1)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637009	0	45	-1.0	-49.77	360.09	5.09	-44.68
CC1(C)CN(S(=O)(=O)NCCCCCCC(=O)[O-])CCO1	REAL300007637010	0	46	-1.0	-50.03	367.62	3.52	-46.51
CC1=NOC(CS(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637011	0	39	-1.0	-56.35	342.10	4.20	-52.15
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C2S1	REAL300007637012	0	51	-1.0	-52.19	434.42	7.28	-44.91
CC(C)N1N=CC2=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C21	REAL300007637013	0	49	-1.0	-53.22	412.13	6.86	-46.36
CCS(=O)(=O)NCCS(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637014	0	44	-1.0	-59.93	385.26	0.07	-59.86
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007637015	0	43	-1.0	-52.43	375.18	6.59	-45.84
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007637016	0	40	-1.0	-50.80	377.05	7.26	-43.54
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007637017	0	43	-1.0	-50.17	385.25	8.06	-42.11
O=C([O-])CCCCCCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007637018	0	40	-1.0	-51.68	364.17	6.72	-44.96
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007637019	0	43	-1.0	-53.09	379.10	8.19	-44.90
O=C([O-])CCCCCCNS(=O)(=O)CCC1CCCO1	REAL300007637020	0	44	-1.0	-52.98	363.18	4.13	-48.85
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007637021	0	43	-1.0	-52.53	382.43	7.12	-45.41
O=C([O-])CCCCCCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007637022	0	48	-1.0	-54.52	402.56	6.66	-47.86
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637023	0	50	-1.0	-57.06	428.83	6.89	-50.17
O=C([O-])CCCCCCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007637024	0	48	-1.0	-59.13	421.42	2.39	-56.74
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007637025	0	46	-1.0	-51.33	392.48	8.31	-43.02
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1N(C)C	REAL300007637026	0	48	-1.0	-50.68	396.02	5.98	-44.70
O=C([O-])CCCCCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007637027	0	43	-1.0	-52.96	382.86	7.27	-45.69
O=C([O-])CCCCCCNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007637028	0	42	-1.0	-54.12	354.27	2.26	-51.86
O=C([O-])CCCCCCNS(=O)(=O)CCOCC1CCCC1	REAL300007637029	0	50	-1.0	-51.60	406.15	5.79	-45.81
COC1=CC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1Cl	REAL300007637030	0	44	-1.0	-52.96	382.48	5.96	-47.00
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637031	0	46	-1.0	-63.72	405.86	3.55	-60.17
CSC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1Cl	REAL300007637032	0	41	-1.0	-51.10	376.62	6.80	-44.30
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637033	0	49	-1.0	-51.74	395.24	5.80	-45.94
O=C([O-])CCCCCCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007637034	0	45	-1.0	-56.11	392.57	3.88	-52.23
CCC1=NOC2=NC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C12	REAL300007637035	0	44	-1.0	-56.11	382.64	3.04	-53.07
CN1N=CC2=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CN=C21	REAL300007637036	0	42	-1.0	-54.14	365.76	4.45	-49.69
CCC1=CC(CC)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(CC)=C1	REAL300007637037	0	55	-1.0	-49.19	421.37	10.06	-39.13
O=C([O-])CCCCCCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007637038	0	44	-1.0	-57.44	367.19	5.35	-52.09
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007637039	0	43	-1.0	-51.53	390.03	3.41	-48.12
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007637040	0	46	-1.0	-59.22	387.73	9.11	-50.11
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1F	REAL300007637041	0	44	-1.0	-52.19	370.61	5.56	-46.63
CC1(CS(=O)(=O)NCCCCCCC(=O)[O-])CCCCC1	REAL300007637042	0	49	-1.0	-50.80	371.25	6.84	-43.96
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007637043	0	46	-1.0	-52.36	383.46	6.75	-45.61
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637044	0	55	0.0	-82.12	437.87	6.52	-75.60
O=C([O-])CCCCCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007637045	0	45	-1.0	-53.17	390.86	6.59	-46.58
COCC1=CC(Cl)=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637046	0	44	-1.0	-51.62	393.21	5.56	-46.06
CC1=CC=C(CS(=O)(=O)NCCCCCCC(=O)[O-])C(F)=C1	REAL300007637047	0	43	-1.0	-53.98	371.90	6.75	-47.23
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637048	0	49	0.0	-79.49	399.78	7.23	-72.26
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007637049	0	37	-1.0	-50.49	353.98	5.52	-44.97
O=C([O-])CCCCCCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007637050	0	50	-1.0	-53.64	410.16	8.62	-45.02
CC(C)(C)C1=CC(CS(=O)(=O)NCCCCCCC(=O)[O-])=NO1	REAL300007637051	0	48	-1.0	-55.18	403.29	6.04	-49.14
CC(C)(C)CCCS(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637052	0	48	-1.0	-51.62	383.49	6.27	-45.35
O=C([O-])CCCCCCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007637053	0	46	-1.0	-61.85	382.55	2.50	-59.35
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007637054	0	40	-1.0	-52.44	357.58	5.78	-46.66
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007637054	1	39	-2.0	-96.26	355.34	5.42	-90.84
CC1=C(CCS(=O)(=O)NCCCCCCC(=O)[O-])SC=N1	REAL300007637055	0	42	-1.0	-53.64	370.19	4.55	-49.09
O=C([O-])CCCCCCNS(=O)(=O)CC12CCC(CC1)C2	REAL300007637056	0	47	-1.0	-51.35	366.08	6.78	-44.57
O=C([O-])CCCCCCNS(=O)(=O)CC1CC(F)(F)C1	REAL300007637057	0	40	-1.0	-54.17	346.70	5.28	-48.89
COC1=CC=C2C=C(S(=O)(=O)NCCCCCCC(=O)[O-])CCC2=C1	REAL300007637058	0	49	-1.0	-52.00	405.34	7.02	-44.98
O=C([O-])CCCCCCNS(=O)(=O)CC12CCC(CC1)CC2	REAL300007637059	0	50	-1.0	-51.10	378.83	7.35	-43.75
O=C([O-])CCCCCCNS(=O)(=O)CCC1CCOC1	REAL300007637060	0	44	-1.0	-53.66	360.71	3.82	-49.84
CC(C)(CCS(=O)(=O)NCCCCCCC(=O)[O-])S(C)(=O)=O	REAL300007637061	0	48	-1.0	-61.52	394.66	2.44	-59.08
O=C([O-])CCCCCCNS(=O)(=O)CC1CCCCC1(F)F	REAL300007637062	0	46	-1.0	-51.43	374.45	6.47	-44.96
O=C([O-])CCCCCCNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007637063	0	44	-1.0	-51.83	372.09	7.45	-44.38
CCC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007637064	0	45	-1.0	-53.44	383.86	7.15	-46.29
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007637065	0	37	-1.0	-49.92	338.13	5.84	-44.08
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007637066	0	37	-1.0	-49.84	342.69	5.95	-43.89
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007637067	0	39	-1.0	-52.35	349.64	6.00	-46.35
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007637068	0	43	-1.0	-52.12	367.37	7.60	-44.52
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007637069	0	39	-1.0	-53.73	349.64	6.00	-47.73
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637070	0	42	-1.0	-55.73	364.37	6.89	-48.84
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637071	0	41	-1.0	-51.28	350.90	4.62	-46.66
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007637072	0	39	-1.0	-55.60	338.81	6.81	-48.79
CCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637073	0	44	-1.0	-51.10	372.76	5.55	-45.55
CC1=CC(C)=C(C)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1C	REAL300007637074	0	49	-1.0	-49.79	381.99	7.89	-41.90
CC1=CC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1	REAL300007637075	0	46	-1.0	-49.62	369.50	7.49	-42.13
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637076	0	52	-1.0	-50.98	412.36	8.54	-42.44
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007637077	0	40	-1.0	-50.88	360.49	6.34	-44.54
O=C([O-])CCCCCCNS(=O)(=O)C=CC1=CC=CC=C1	REAL300007637078	0	41	-1.0	-51.81	353.32	6.50	-45.31
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007637079	0	40	-1.0	-51.73	346.35	6.89	-44.84
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007637080	0	37	-1.0	-50.34	338.16	5.84	-44.50
CC(=O)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637081	0	42	-1.0	-53.67	361.88	5.72	-47.95
CC1=CC=C(C)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637082	0	43	-1.0	-51.23	357.56	6.89	-44.34
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C	REAL300007637083	0	43	-1.0	-51.07	359.83	6.53	-44.54
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1	REAL300007637084	0	43	-1.0	-51.11	357.52	6.89	-44.22
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007637085	0	43	-1.0	-58.38	376.93	6.07	-52.31
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637086	0	49	-1.0	-50.32	397.62	7.65	-42.67
CC(C)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637087	0	46	-1.0	-50.50	381.64	7.26	-43.24
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637088	0	48	-1.0	-56.12	417.73	3.29	-52.83
CCCC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637089	0	46	-1.0	-50.51	385.80	7.55	-42.96
COC1=CC=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637090	0	41	-1.0	-52.26	341.94	5.15	-47.11
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1Br	REAL300007637091	0	41	-1.0	-51.50	371.32	5.30	-46.20
CC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C1Br	REAL300007637092	0	40	-1.0	-49.98	360.92	6.51	-43.47
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C2)=C1	REAL300007637093	0	51	-1.0	-51.68	431.53	8.84	-42.84
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007637094	0	41	-1.0	-50.19	367.40	5.12	-45.07
CC1=C(C)C(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1C	REAL300007637095	0	52	-1.0	-50.27	391.08	8.18	-42.09
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007637096	0	46	-1.0	-52.83	384.24	5.27	-47.56
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637097	0	53	-1.0	-51.70	418.15	7.48	-44.22
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007637098	0	42	-1.0	-53.54	365.63	6.52	-47.02
CC1=NNC(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637099	0	40	-1.0	-51.40	337.62	3.16	-48.24
COC1=CC=C(Br)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637100	0	41	-1.0	-51.10	363.22	5.78	-45.32
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637101	0	55	-1.0	-49.40	423.73	9.13	-40.27
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007637102	0	40	-1.0	-50.37	360.16	6.32	-44.05
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007637103	0	47	-1.0	-50.79	384.13	7.82	-42.97
COC1=CC=C(OC)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637104	0	45	-1.0	-53.32	371.39	4.44	-48.88
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1OC	REAL300007637105	0	45	-1.0	-53.12	380.15	4.53	-48.59
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007637106	0	44	-1.0	-51.15	366.96	7.23	-43.92
CC1=NOC(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637107	0	39	-1.0	-50.69	334.59	4.29	-46.40
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007637108	0	45	-1.0	-51.20	375.89	7.73	-43.47
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007637109	0	42	-1.0	-52.11	357.33	5.19	-46.92
CC(C)CCC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637110	0	52	-1.0	-50.34	424.87	8.83	-41.51
CCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1OCC	REAL300007637111	0	51	-1.0	-53.09	423.85	6.37	-46.72
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637112	0	42	-1.0	-57.27	375.65	0.28	-56.99
CC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007637113	0	45	-1.0	-52.85	385.82	7.17	-45.68
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1C	REAL300007637114	0	45	-1.0	-55.14	381.28	7.42	-47.72
O=C([O-])CCCCCCNS(=O)(=O)N1CCCCCC1	REAL300007637115	0	45	-1.0	-50.27	354.08	5.40	-44.87
CC1=CC2=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C2N=C1	REAL300007637116	0	45	-1.0	-54.86	374.98	7.08	-47.78
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007637117	0	43	-1.0	-54.11	368.27	6.11	-48.00
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637118	0	41	-1.0	-50.40	358.66	5.67	-44.73
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637119	0	42	-1.0	-57.31	375.60	0.29	-57.02
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637120	0	45	-1.0	-52.24	389.20	6.89	-45.35
O=C([O-])CCCCCCNS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007637121	0	46	-1.0	-50.17	374.05	6.46	-43.71
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=CC=CN=C12	REAL300007637122	0	45	-1.0	-53.52	377.66	6.62	-46.90
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C	REAL300007637123	0	45	-1.0	-54.12	377.93	8.03	-46.09
CC1CCN(S(=O)(=O)NCCCCCCC(=O)[O-])CC1	REAL300007637124	0	45	-1.0	-49.47	358.48	5.00	-44.47
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637125	0	48	-1.0	-55.82	416.16	3.37	-52.45
O=C([O-])CCCCCCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007637126	0	49	-1.0	-61.54	407.35	4.67	-56.87
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637127	0	43	-1.0	-58.54	382.11	2.85	-55.69
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007637128	0	47	-1.0	-49.44	376.41	8.40	-41.04
CC1CC(C)CN(S(=O)(=O)NCCCCCCC(=O)[O-])C1	REAL300007637129	0	48	-1.0	-49.37	370.56	5.60	-43.77
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007637130	0	43	-1.0	-52.81	362.46	7.68	-45.13
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007637131	0	47	-1.0	-51.92	395.60	8.74	-43.18
CC1=CC=C(F)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637132	0	40	-1.0	-52.02	343.38	6.19	-45.83
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=CC=C12	REAL300007637133	0	51	-1.0	-51.87	415.83	7.53	-44.34
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007637134	0	38	-1.0	-54.64	339.75	3.71	-50.93
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637135	0	41	-1.0	-51.15	358.66	5.67	-45.48
COC1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637136	0	41	-1.0	-52.16	350.91	4.62	-47.54
CCC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637137	0	52	-1.0	-50.32	411.84	8.12	-42.20
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1Cl	REAL300007637138	0	40	-1.0	-51.17	356.88	6.43	-44.74
CC(C)OC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637139	0	47	-1.0	-50.89	390.70	6.17	-44.72
CCC1=CC=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637140	0	43	-1.0	-50.83	352.90	7.10	-43.73
CC1=NC(S(=O)(=O)NCCCCCCC(=O)[O-])=CN1C	REAL300007637141	0	40	-1.0	-56.59	344.94	4.20	-52.39
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007637142	0	40	-1.0	-53.80	361.90	6.55	-47.25
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007637143	0	38	-1.0	-56.46	332.25	4.04	-52.42
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007637144	0	42	-1.0	-52.34	377.68	7.80	-44.54
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007637145	0	42	-1.0	-55.25	353.63	6.44	-48.81
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637146	0	43	-1.0	-51.71	370.15	5.82	-45.89
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1F	REAL300007637147	0	41	-1.0	-52.33	357.13	4.70	-47.63
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1F	REAL300007637148	0	40	-1.0	-51.72	348.14	6.03	-45.69
CC1=CC=C(CS(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637149	0	43	-1.0	-53.34	366.57	6.72	-46.62
CC1CCCCN1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637150	0	45	-1.0	-49.72	351.82	5.40	-44.32
CCCN(CCC)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637151	0	47	-1.0	-49.67	377.62	5.58	-44.09
CC(C)OC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300007637152	0	53	-1.0	-52.63	430.53	8.58	-44.05
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007637153	0	40	-1.0	-53.90	377.09	7.01	-46.89
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300007637154	0	47	-1.0	-53.04	390.78	7.03	-46.01
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637155	0	42	-1.0	-51.96	364.33	6.88	-45.08
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637156	0	42	-1.0	-52.90	359.48	6.64	-46.26
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637157	0	45	-1.0	-55.14	381.31	7.77	-47.37
CC(C)CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637158	0	49	-1.0	-50.51	402.57	8.01	-42.50
COCCC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637159	0	47	-1.0	-51.34	397.98	5.84	-45.50
COCCN(CCOC)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637160	0	49	-1.0	-49.99	395.17	2.53	-47.46
CC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637161	0	40	-1.0	-51.38	353.70	6.64	-44.74
COC1=C(C)C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C	REAL300007637162	0	47	-1.0	-51.20	394.99	6.21	-44.99
CC(C)CCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637163	0	53	-1.0	-51.02	433.34	7.65	-43.37
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007637164	0	51	-1.0	-50.54	416.06	7.55	-42.99
CC(C)COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637165	0	50	-1.0	-51.13	414.38	7.05	-44.08
CCCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637166	0	47	-1.0	-51.17	394.27	6.35	-44.82
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1Cl	REAL300007637167	0	41	-1.0	-51.56	366.93	5.18	-46.38
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007637168	0	41	-1.0	-52.46	376.70	5.46	-47.00
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C	REAL300007637169	0	44	-1.0	-51.70	370.99	5.37	-46.33
CC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C1OC(C)C	REAL300007637170	0	50	-1.0	-51.36	410.76	6.92	-44.44
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1	REAL300007637171	0	44	-1.0	-51.50	365.57	5.53	-45.97
COCCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637172	0	48	-1.0	-53.74	406.40	4.82	-48.92
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=CC=C1F	REAL300007637173	0	40	-1.0	-54.17	350.47	6.07	-48.10
CC1=CC(Br)=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637174	0	40	-1.0	-49.90	357.40	6.84	-43.06
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1C	REAL300007637175	0	45	-1.0	-54.98	372.59	8.06	-46.92
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637176	0	46	-1.0	-60.31	396.85	3.74	-56.57
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637177	0	45	-1.0	-56.34	398.02	1.50	-54.84
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637178	0	45	-1.0	-56.72	365.67	2.88	-53.84
CC1=NC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])S1	REAL300007637179	0	39	-1.0	-50.92	346.65	3.89	-47.03
O=C([O-])CCCCCCNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007637180	0	40	-1.0	-50.82	347.39	6.21	-44.61
COC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C1F	REAL300007637181	0	41	-1.0	-51.71	357.15	4.70	-47.01
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007637182	0	47	-1.0	-52.62	395.62	8.74	-43.88
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007637183	0	40	-1.0	-52.66	378.64	7.04	-45.62
O=C([O-])CCCCCCNS(=O)(=O)CC1CCCCC1	REAL300007637184	0	46	-1.0	-51.32	364.11	6.44	-44.88
CC1=NC(C2=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])S2)=CS1	REAL300007637185	0	43	-1.0	-52.54	400.86	5.88	-46.66
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007637186	0	57	-1.0	-50.52	455.98	8.94	-41.58
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637187	0	45	-1.0	-54.81	374.98	7.10	-47.71
CNC(=O)C1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CN1C	REAL300007637188	0	45	-1.0	-55.78	385.31	2.97	-52.81
COC1=CC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1	REAL300007637189	0	47	-1.0	-50.69	376.97	6.10	-44.59
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007637190	0	48	-1.0	-52.41	405.62	9.44	-42.97
COC1=CC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C	REAL300007637191	0	47	-1.0	-52.03	386.53	6.14	-45.89
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007637192	0	45	-1.0	-52.34	367.35	6.51	-45.83
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007637193	0	42	-1.0	-53.96	357.73	5.88	-48.08
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C2	REAL300007637194	0	50	-1.0	-54.84	421.23	9.16	-45.68
CCN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007637195	0	42	-1.0	-56.95	371.43	6.21	-50.74
CCN1C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007637195	1	41	-2.0	-103.56	369.49	5.84	-97.72
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007637196	0	44	-1.0	-52.59	392.33	6.01	-46.58
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007637197	0	51	-1.0	-52.06	432.67	8.60	-43.46
CCC(=O)C1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637198	0	45	-1.0	-56.51	384.50	6.59	-49.92
O=C([O-])CCCCCCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007637199	0	47	-1.0	-53.64	407.39	6.88	-46.76
O=C([O-])CCCCCCNS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007637200	0	40	-1.0	-64.56	349.61	4.52	-60.04
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637201	0	59	-1.0	-49.66	456.03	8.16	-41.50
CC1=CC=CC(CS(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637202	0	43	-1.0	-53.37	366.58	6.71	-46.66
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637203	0	45	-1.0	-57.91	398.49	1.95	-55.96
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007637204	0	40	-1.0	-54.50	351.58	6.11	-48.39
CC1=CC=CC=C1CS(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637205	0	43	-1.0	-52.97	360.97	6.62	-46.35
CCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300007637206	0	50	-1.0	-52.74	412.59	7.96	-44.78
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637207	0	47	-1.0	-51.74	385.20	6.74	-45.00
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007637208	0	42	-1.0	-60.17	369.70	5.51	-54.66
O=C([O-])CCCCCCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007637209	0	44	-1.0	-54.96	381.98	6.44	-48.52
CCOCCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637210	0	51	-1.0	-52.86	428.24	5.79	-47.07
CCCCCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637211	0	53	-1.0	-51.01	437.27	7.91	-43.10
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007637212	0	47	-1.0	-51.12	377.08	8.00	-43.12
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007637213	0	43	-1.0	-53.34	369.79	7.14	-46.20
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007637214	0	41	-1.0	-50.51	377.79	6.79	-43.72
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007637215	0	42	-1.0	-51.51	357.38	4.62	-46.89
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007637216	0	45	-1.0	-57.58	385.06	6.58	-51.00
O=C([O-])CCCCCCNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007637217	0	43	-1.0	-61.41	365.36	1.78	-59.63
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007637218	0	42	-1.0	-58.42	369.68	5.50	-52.92
CCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1	REAL300007637219	0	47	-1.0	-51.26	387.46	6.45	-44.81
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637220	0	45	-1.0	-57.70	398.04	1.49	-56.21
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007637221	0	41	-1.0	-52.46	351.70	5.42	-47.04
CSC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637222	0	41	-1.0	-50.83	361.61	6.35	-44.48
CCCCCCCS(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637223	0	48	-1.0	-51.63	392.75	6.93	-44.70
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007637224	0	43	-1.0	-54.69	384.23	7.06	-47.63
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637225	0	48	-1.0	-51.94	391.32	7.09	-44.85
CCN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])N=C1C	REAL300007637226	0	43	-1.0	-56.02	366.95	5.11	-50.91
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007637227	0	43	-1.0	-52.65	355.86	4.88	-47.77
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300007637228	0	42	-1.0	-53.47	357.53	5.78	-47.69
O=C([O-])CCCCCCNS(=O)(=O)CC1CCCCO1	REAL300007637229	0	44	-1.0	-53.89	359.35	4.35	-49.54
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C(F)(F)F	REAL300007637230	0	43	-1.0	-51.95	375.85	6.85	-45.10
O=C([O-])CCCCCCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007637231	0	43	-1.0	-53.55	394.24	6.06	-47.49
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007637232	0	46	-1.0	-54.68	386.22	6.92	-47.76
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C12	REAL300007637233	0	45	-1.0	-54.01	387.72	5.05	-48.96
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637234	0	44	-1.0	-53.69	390.07	5.93	-47.76
COCC1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637235	0	44	-1.0	-52.27	376.48	5.05	-47.22
CC1(C)CC2=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C2O1	REAL300007637236	0	48	-1.0	-52.85	392.65	6.59	-46.26
CCN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=N1	REAL300007637237	0	40	-1.0	-53.13	347.49	3.88	-49.25
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007637238	0	40	-1.0	-52.91	358.75	6.48	-46.43
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007637239	0	44	-1.0	-53.31	391.17	5.83	-47.48
CC(C1CC1)N(C)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637240	0	45	-1.0	-49.65	363.94	5.27	-44.38
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007637241	0	45	-1.0	-53.85	383.26	5.97	-47.88
O=C([O-])CCCCCCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007637242	0	40	-1.0	-52.49	372.08	6.93	-45.56
CC1CC2=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C2O1	REAL300007637243	0	45	-1.0	-51.99	378.46	5.93	-46.06
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637244	0	49	-1.0	-49.45	378.40	8.49	-40.96
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637245	0	49	-1.0	-57.69	409.34	4.33	-53.36
O=C([O-])CCCCCCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007637246	0	43	-1.0	-53.53	387.84	5.99	-47.54
CC1=NC(C2=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C2)=CO1	REAL300007637247	0	46	-1.0	-55.06	397.81	4.40	-50.66
CN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007637248	0	40	-1.0	-53.95	360.88	4.28	-49.67
CN1C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007637248	1	39	-2.0	-98.77	357.80	3.80	-94.97
CC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C(C)O1	REAL300007637249	0	40	-1.0	-52.47	346.18	4.84	-47.63
CC1=CSC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637250	0	37	-1.0	-50.67	334.98	4.99	-45.68
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007637251	0	40	-1.0	-54.37	351.17	5.71	-48.66
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007637251	1	39	-2.0	-101.78	348.93	5.35	-96.43
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007637252	0	40	-1.0	-52.34	347.46	3.99	-48.35
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=N1	REAL300007637253	0	40	-1.0	-51.72	348.59	2.01	-49.71
O=C([O-])CCCCCCNS(=O)(=O)C1=CN=C2CCCN12	REAL300007637254	0	41	-1.0	-57.12	343.43	4.51	-52.61
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])SC=C1	REAL300007637255	0	37	-1.0	-51.38	328.02	4.82	-46.56
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007637256	0	45	-1.0	-52.04	375.12	5.95	-46.09
O=C([O-])CCCCCCNS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007637257	0	44	-1.0	-52.57	360.47	6.88	-45.69
CC1=CC=C(N2C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=N2)C=C1	REAL300007637258	0	47	-1.0	-53.57	403.38	7.11	-46.46
CC1CC2=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC(Cl)=C2O1	REAL300007637259	0	45	-1.0	-51.41	395.19	6.44	-44.97
CC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007637260	0	42	-1.0	-52.18	365.64	6.50	-45.68
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=N1	REAL300007637261	0	48	-1.0	-57.66	409.15	6.08	-51.58
CC1=NN(C)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637262	0	40	-1.0	-53.73	344.84	3.66	-50.07
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])N(C)N=C1	REAL300007637263	0	40	-1.0	-51.00	338.29	3.78	-47.22
O=C([O-])CCCCCCNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007637264	0	39	-1.0	-53.00	353.41	4.80	-48.20
CN(C)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637265	0	45	-1.0	-51.92	372.90	5.73	-46.19
CC1=CC2=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C2C=C1	REAL300007637266	0	46	-1.0	-52.12	388.71	8.26	-43.86
COC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])SC=C1	REAL300007637267	0	38	-1.0	-55.40	339.42	3.46	-51.94
CN(C)C1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637268	0	45	-1.0	-51.90	373.94	5.75	-46.15
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007637269	0	42	-1.0	-52.95	351.11	5.19	-47.76
O=C([O-])CCCCCCNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007637270	0	42	-1.0	-58.50	368.52	5.39	-53.11
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007637271	0	42	-1.0	-52.70	357.22	5.16	-47.54
O=C([O-])CCCCCCNS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007637272	0	43	-1.0	-52.77	383.40	7.35	-45.42
CN1CCCC2=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C21	REAL300007637273	0	49	-1.0	-51.78	395.63	5.88	-45.90
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007637274	0	39	-1.0	-52.38	356.15	4.55	-47.83
COC1=CC=CC(OC)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637275	0	45	-1.0	-55.23	375.40	5.84	-49.39
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637276	0	45	-1.0	-51.80	380.42	7.37	-44.43
CC1=CC=C(C)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300007637277	0	45	-1.0	-56.08	377.58	8.30	-47.78
CC1=CC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007637278	0	45	-1.0	-55.88	380.12	7.41	-48.47
COC1=CC=C(CCS(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637279	0	47	-1.0	-53.79	396.17	6.13	-47.66
COC1=CN=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637280	0	40	-1.0	-52.24	345.98	2.79	-49.45
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])S1	REAL300007637281	0	46	-1.0	-50.68	394.41	6.97	-43.71
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007637282	0	44	-1.0	-50.67	370.63	7.43	-43.24
COC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC(OC)=C1	REAL300007637283	0	45	-1.0	-53.19	380.39	3.93	-49.26
O=C([O-])CCCCCCNS(=O)(=O)CCC1CCCCC1	REAL300007637284	0	49	-1.0	-51.51	387.45	7.00	-44.51
CC1=CC=C(CCS(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637285	0	46	-1.0	-52.49	388.07	7.51	-44.98
CC1=CC2=C(C=C1S(=O)(=O)NCCCCCCC(=O)[O-])OCO2	REAL300007637286	0	43	-1.0	-53.01	362.20	4.90	-48.11
O=C([O-])CCCCCCNS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007637287	0	40	-1.0	-53.68	343.50	5.51	-48.17
COC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C1Cl	REAL300007637288	0	41	-1.0	-51.03	366.95	5.18	-45.85
O=C([O-])CCCCCCNS(=O)(=O)CCC1CCCC1	REAL300007637289	0	46	-1.0	-51.58	371.87	6.44	-45.14
CN1C=NC2=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C21	REAL300007637290	0	43	-1.0	-56.84	369.68	6.67	-50.17
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007637291	0	45	-1.0	-56.26	369.82	6.85	-49.41
CC1=NC2=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C2O1	REAL300007637292	0	42	-1.0	-54.31	365.05	2.98	-51.33
CCC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1CC	REAL300007637293	0	49	-1.0	-50.64	398.48	7.88	-42.76
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637294	0	45	-1.0	-50.36	372.32	7.34	-43.02
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637295	0	47	-1.0	-52.47	380.39	6.89	-45.58
CC1=C(C)SC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637296	0	40	-1.0	-51.06	354.37	5.71	-45.35
NC1=NC=C(Cl)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637297	0	38	-1.0	-50.86	343.62	3.20	-47.66
CC1=NC=C(S(=O)(=O)NCCCCCCC(=O)[O-])S1	REAL300007637298	0	36	-1.0	-51.16	329.95	3.16	-48.00
CCC1=NC=C(S(=O)(=O)NCCCCCCC(=O)[O-])S1	REAL300007637299	0	39	-1.0	-50.82	351.42	3.91	-46.91
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(N)=NO1	REAL300007637300	0	38	-1.0	-51.19	327.86	2.73	-48.46
CC1=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(N)=NO1	REAL300007637300	1	37	-2.0	-90.83	325.60	2.36	-88.47
CN(C)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=N1	REAL300007637301	0	44	-1.0	-53.25	370.08	5.10	-48.15
CC1=CC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])S1	REAL300007637302	0	40	-1.0	-50.95	351.02	5.95	-45.00
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007637303	0	43	-1.0	-54.72	351.27	6.46	-48.26
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007637304	0	40	-1.0	-53.64	341.75	3.88	-49.76
CC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC(C)=C1F	REAL300007637305	0	43	-1.0	-50.18	368.44	6.67	-43.51
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007637306	0	44	-1.0	-56.33	377.41	5.08	-51.25
O=C([O-])CCCCCCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007637307	0	50	-1.0	-55.11	422.19	6.89	-48.22
O=C([O-])CCCCCCNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007637308	0	41	-1.0	-56.05	359.83	5.39	-50.66
O=C([O-])CCCCCCNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007637309	0	39	-1.0	-54.15	345.75	5.08	-49.07
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=N1	REAL300007637310	0	39	-1.0	-52.52	338.03	4.14	-48.38
CC1=NC(CS(=O)(=O)NCCCCCCC(=O)[O-])=CS1	REAL300007637311	0	39	-1.0	-55.75	351.76	3.72	-52.03
COC(CS(=O)(=O)NCCCCCCC(=O)[O-])C1CC1	REAL300007637312	0	44	-1.0	-52.75	363.60	4.67	-48.08
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007637313	0	40	-1.0	-52.97	361.90	6.56	-46.41
CC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C1Cl	REAL300007637314	0	40	-1.0	-49.95	356.89	6.42	-43.53
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007637315	0	43	-1.0	-58.13	369.53	6.31	-51.82
CC1=CSC(C2=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C2)=N1	REAL300007637316	0	46	-1.0	-52.97	407.65	6.80	-46.17
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007637317	0	45	-1.0	-52.36	364.77	6.51	-45.85
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007637318	0	44	-1.0	-59.00	386.53	3.18	-55.82
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007637319	0	46	-1.0	-52.74	383.16	5.67	-47.07
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007637320	0	40	-1.0	-52.45	365.04	6.54	-45.91
CCC(C)OC1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637321	0	50	-1.0	-51.72	411.45	6.99	-44.73
COC(CS(=O)(=O)NCCCCCCC(=O)[O-])C1CCCC1	REAL300007637322	0	50	-1.0	-51.78	398.77	5.65	-46.13
COC(CS(=O)(=O)NCCCCCCC(=O)[O-])C1CCCCC1	REAL300007637323	0	53	-1.0	-52.24	413.10	6.35	-45.89
CC1(C)CC(S(=O)(=O)NCCCCCCC(=O)[O-])CO1	REAL300007637324	0	44	-1.0	-52.24	354.17	3.65	-48.59
CCOC(CS(=O)(=O)NCCCCCCC(=O)[O-])C1CC1	REAL300007637325	0	47	-1.0	-52.79	385.50	5.63	-47.16
CCCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C(C)C	REAL300007637326	0	56	-1.0	-50.80	452.88	8.38	-42.42
CCC1=NC(S(=O)(=O)NCCCCCCC(=O)[O-])=CN1CC1CC1	REAL300007637327	0	50	-1.0	-54.90	413.51	7.24	-47.66
O=C([O-])CCCCCCNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007637328	0	40	-1.0	-50.89	361.16	4.83	-46.06
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007637329	0	45	-1.0	-52.76	384.55	7.79	-44.97
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637330	0	44	-1.0	-50.70	367.98	5.21	-45.49
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007637331	0	50	-1.0	-51.45	422.38	7.65	-43.80
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637332	0	40	-1.0	-51.56	363.03	3.94	-47.62
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007637333	0	48	-1.0	-53.04	422.04	9.43	-43.61
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007637334	0	47	-1.0	-53.80	387.51	8.73	-45.07
CCC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C(C)C=C1OC	REAL300007637335	0	50	-1.0	-51.86	407.28	7.00	-44.86
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300007637336	0	38	-2.0	-112.00	347.52	3.86	-108.14
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCCCCCC(=O)[O-])=N1	REAL300007637336	1	39	-1.0	-58.45	346.10	4.20	-54.25
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007637337	0	46	-1.0	-52.05	372.15	8.38	-43.67
CC(C)OC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=N1	REAL300007637338	0	46	-1.0	-51.22	390.58	3.88	-47.34
COC1=C(F)C=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637339	0	41	-1.0	-51.49	346.05	5.43	-46.06
CCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C(C)C	REAL300007637340	0	53	-1.0	-51.15	431.38	7.58	-43.57
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1F	REAL300007637341	0	49	-1.0	-51.34	399.64	7.59	-43.75
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007637342	0	56	-1.0	-52.75	447.02	9.85	-42.90
CN1N=C2CCCCC2=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637343	0	47	-1.0	-51.28	380.38	5.36	-45.92
CN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C(C)(C)C)=N1	REAL300007637344	0	49	-1.0	-54.85	392.06	5.59	-49.26
O=C([O-])CCCCCCNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007637345	0	47	-1.0	-52.83	388.81	5.68	-47.15
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637346	0	40	-1.0	-51.30	347.65	3.91	-47.39
COC1=CC=C(F)C=C1CS(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637347	0	44	-1.0	-54.15	379.75	5.48	-48.67
C=CCCC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637348	0	47	-1.0	-50.56	398.62	8.11	-42.45
CCC1=NN(C)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637349	0	43	-1.0	-53.40	365.69	4.43	-48.97
CCCCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C(C)C	REAL300007637350	0	59	-1.0	-50.46	474.37	9.16	-41.30
O=C([O-])CCCCCCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007637351	0	41	-1.0	-51.21	370.05	7.02	-44.19
CCCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C(C)(C)C	REAL300007637352	0	59	-1.0	-50.60	465.43	9.04	-41.56
CCCOC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1CC	REAL300007637353	0	53	-1.0	-50.67	435.96	7.84	-42.83
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637354	0	43	-1.0	-48.66	364.25	7.32	-41.34
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637355	0	43	-1.0	-52.50	382.26	7.23	-45.27
O=C([O-])CCCCCCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007637356	0	41	-1.0	-52.14	367.55	6.93	-45.21
CCCC1=CC=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637357	0	46	-1.0	-50.78	374.26	7.87	-42.91
COC1=NC=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637358	0	40	-1.0	-53.06	339.68	2.53	-50.53
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637359	0	53	-1.0	-53.02	436.97	8.12	-44.90
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007637360	0	42	-1.0	-54.25	357.58	5.87	-48.38
CC1=NC=C(S(=O)(=O)NCCCCCCC(=O)[O-])N1C	REAL300007637361	0	40	-1.0	-54.07	340.56	4.37	-49.70
CC1=CSC(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637362	0	40	-1.0	-48.80	344.10	6.00	-42.80
O=C([O-])CCCCCCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007637363	0	44	-1.0	-53.48	371.31	5.01	-48.47
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007637364	0	44	-1.0	-52.60	363.80	4.92	-47.68
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007637365	0	47	-1.0	-51.90	380.89	5.67	-46.23
CC1(C)COC2=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=NN2C1	REAL300007637366	0	48	-1.0	-53.26	392.33	3.37	-49.89
O=C([O-])CCCCCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007637367	0	43	-1.0	-51.98	388.26	6.23	-45.75
O=C([O-])CCCCCCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300007637368	0	44	-1.0	-52.31	362.37	5.28	-47.03
COC1=CC(C(C)C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C	REAL300007637369	0	53	-1.0	-51.75	424.91	7.44	-44.31
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637370	0	47	-1.0	-51.00	382.70	6.53	-44.47
CC1CC2=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C2O1	REAL300007637371	0	45	-1.0	-52.99	366.79	5.76	-47.23
CC(C)(C)C1=NC=C(S(=O)(=O)NCCCCCCC(=O)[O-])S1	REAL300007637372	0	45	-1.0	-50.68	390.08	4.99	-45.69
O=C([O-])CCCCCCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007637373	0	43	-1.0	-52.59	375.09	5.95	-46.64
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637374	0	42	-1.0	-58.87	362.10	4.93	-53.94
CCN1N=NC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637375	0	39	-1.0	-52.87	335.34	2.66	-50.21
O=C([O-])CCCCCCNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007637376	0	46	-1.0	-50.17	367.19	5.28	-44.89
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007637377	0	38	-1.0	-51.69	336.30	4.11	-47.58
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007637378	0	40	-1.0	-52.59	360.26	6.75	-45.84
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637379	0	44	-1.0	-51.72	372.34	5.10	-46.62
CC1=CC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1F	REAL300007637380	0	46	-1.0	-50.37	369.55	7.34	-43.03
COC1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1OC	REAL300007637381	0	45	-1.0	-52.43	369.07	5.12	-47.31
O=C([O-])CCCCCCNS(=O)(=O)C1=COC2=CC=CC=C12	REAL300007637382	0	40	-1.0	-52.64	344.36	5.28	-47.36
CN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C2CCCC2)=N1	REAL300007637383	0	50	-1.0	-53.31	394.65	5.57	-47.74
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637384	0	49	-1.0	-52.01	400.58	5.93	-46.08
CCCCN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=N1	REAL300007637385	0	49	-1.0	-53.07	411.56	6.02	-47.05
CN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C2CC2)=N1	REAL300007637386	0	44	-1.0	-53.68	365.05	4.70	-48.98
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007637387	0	41	-1.0	-53.39	360.66	4.91	-48.48
CN1N=NC2=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=CC=C21	REAL300007637388	0	42	-1.0	-60.74	359.75	3.74	-57.00
CC1=CC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1Br	REAL300007637389	0	43	-1.0	-51.38	375.63	7.41	-43.97
CC1(C)CCCN(S(=O)(=O)NCCCCCCC(=O)[O-])C1	REAL300007637390	0	48	-1.0	-49.85	375.92	5.70	-44.15
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007637391	0	43	-1.0	-51.33	389.62	6.46	-44.87
CN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C2CCC2)=N1	REAL300007637392	0	47	-1.0	-53.41	377.69	5.07	-48.34
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637393	0	55	-1.0	-50.91	435.56	9.33	-41.58
O=C([O-])CCCCCCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007637394	0	47	-1.0	-52.79	395.38	5.96	-46.83
O=C([O-])CCCCCCNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007637395	0	41	-1.0	-51.68	352.99	6.30	-45.38
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007637396	0	48	-1.0	-50.92	411.18	8.14	-42.78
COC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007637397	0	46	-1.0	-59.78	386.84	6.54	-53.24
CCCC1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637398	0	46	-1.0	-50.64	385.80	7.54	-43.10
CN1N=C2CCCC2=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637399	0	44	-1.0	-52.22	366.11	4.88	-47.34
O=C([O-])CCCCCCNS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007637400	0	43	-1.0	-50.05	349.96	4.82	-45.23
CC1=CC=CC(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637401	0	43	-1.0	-49.64	348.10	6.83	-42.81
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637402	0	46	-1.0	-52.29	370.06	4.99	-47.30
CC(C)(C)N1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=N1	REAL300007637403	0	46	-1.0	-52.42	385.91	5.03	-47.39
O=C([O-])CCCCCCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007637404	0	44	-1.0	-52.55	370.87	4.38	-48.17
CC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300007637405	0	42	-1.0	-51.28	372.33	5.14	-46.14
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007637406	0	40	-1.0	-49.68	366.56	6.40	-43.28
CC1=NN(C)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637407	0	40	-1.0	-51.88	343.60	3.54	-48.34
CC1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1C	REAL300007637408	0	43	-1.0	-51.33	353.97	6.66	-44.67
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637409	0	48	-1.0	-56.29	406.00	7.36	-48.93
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007637410	0	48	-1.0	-51.30	391.04	8.36	-42.94
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007637411	0	43	-1.0	-51.42	383.83	6.37	-45.05
O=C([O-])CCCCCCNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007637412	0	43	-1.0	-50.88	363.86	5.76	-45.12
O=C([O-])CCCCCCNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007637413	0	44	-1.0	-56.54	374.46	3.67	-52.87
O=C([O-])CCCCCCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007637414	0	37	-1.0	-50.67	340.69	5.72	-44.95
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007637415	0	44	-1.0	-50.78	370.61	7.43	-43.35
COC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=CS1	REAL300007637416	0	38	-1.0	-51.27	337.22	3.83	-47.44
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007637417	0	47	-1.0	-52.80	387.49	5.75	-47.05
CCC(C)N1N=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637418	0	46	-1.0	-51.12	381.36	5.22	-45.90
CCC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])O1	REAL300007637419	0	40	-1.0	-52.30	347.49	4.92	-47.38
CN(C1CCCCCC1)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637420	0	51	-1.0	-49.84	392.06	6.31	-43.53
CN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300007637421	0	51	-1.0	-54.03	419.90	4.45	-49.58
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637422	0	43	-1.0	-51.46	374.63	6.86	-44.60
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007637423	0	41	-1.0	-52.95	360.67	4.91	-48.04
O=C([O-])CCCCCCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007637424	0	52	-1.0	-51.09	416.92	7.98	-43.11
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])S1	REAL300007637425	0	38	-1.0	-50.92	345.20	3.78	-47.14
CC1=CC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=NC=CC=C12	REAL300007637426	0	48	-1.0	-56.81	392.86	7.67	-49.14
O=C([O-])CCCCCCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007637427	0	45	-1.0	-51.38	375.03	5.31	-46.07
O=C([O-])CCCCCCNS(=O)(=O)C1=CN(CCF)N=C1	REAL300007637428	0	40	-1.0	-53.03	354.08	4.02	-49.01
CCOCC1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637429	0	47	-1.0	-52.22	398.33	6.01	-46.21
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637430	0	47	-1.0	-53.08	401.10	6.51	-46.57
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O=C([O-])CCCCCCNS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007637441	0	42	-1.0	-61.12	364.60	-0.72	-61.84
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CC1=NC(S(=O)(=O)NCCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007637447	0	46	-1.0	-53.61	396.00	4.20	-49.41
CC1=NC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007637447	1	45	-2.0	-110.07	395.22	3.93	-106.14
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O=C([O-])CCCCCCNS(=O)(=O)CCN1C=NN=N1	REAL300007637449	0	38	-1.0	-60.32	336.19	3.21	-57.11
CC1(C)COC(CS(=O)(=O)NCCCCCCC(=O)[O-])C1	REAL300007637450	0	47	-1.0	-54.33	381.99	4.51	-49.82
O=C([O-])CCCCCCNS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007637451	0	40	-1.0	-60.36	352.40	1.01	-59.35
CC(C)(CS(=O)(=O)NCCCCCCC(=O)[O-])C(C)(F)F	REAL300007637452	0	45	-1.0	-51.18	360.40	5.79	-45.39
CS(=O)(=O)CCCCS(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637453	0	45	-1.0	-62.78	391.89	2.14	-60.64
CC1(C)CCC(CS(=O)(=O)NCCCCCCC(=O)[O-])OC1	REAL300007637454	0	50	-1.0	-53.26	395.67	5.69	-47.57
O=C([O-])CCCCCCNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007637455	0	47	-1.0	-51.69	391.94	7.62	-44.07
O=C([O-])CCCCCCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007637456	0	41	-1.0	-57.85	369.39	4.36	-53.49
O=C([O-])CCCCCCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007637457	0	47	-1.0	-54.87	404.71	8.22	-46.65
O=C([O-])CCCCCCNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007637458	0	46	-1.0	-55.98	375.46	2.77	-53.21
COCCC1(S(=O)(=O)NCCCCCCC(=O)[O-])CC1	REAL300007637459	0	44	-1.0	-52.33	355.99	4.17	-48.16
CCN1N=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=N1	REAL300007637460	0	39	-1.0	-53.24	342.12	2.19	-51.05
CCN1N=CC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300007637460	1	38	-2.0	-98.13	340.02	1.80	-96.33
O=C([O-])CCCCCCNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007637461	0	50	-1.0	-51.47	388.74	7.31	-44.16
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007637462	0	41	-1.0	-50.94	365.24	6.63	-44.31
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C21	REAL300007637463	0	59	-1.0	-50.39	450.99	9.50	-40.89
COC1=CC=C(C=C(C)S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637464	0	48	-1.0	-51.91	394.74	6.19	-45.72
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637465	0	42	-1.0	-54.05	349.75	2.25	-51.80
CCC1=NNC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637466	0	40	-1.0	-52.58	344.12	3.03	-49.55
COC1=CSC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1OC	REAL300007637467	0	42	-1.0	-53.82	370.19	3.17	-50.65
O=C([O-])CCCCCCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007637468	0	49	-1.0	-50.05	381.84	5.77	-44.28
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637469	0	48	-1.0	-51.27	401.69	7.21	-44.06
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007637470	0	41	-1.0	-52.47	370.12	6.12	-46.35
COC1=CC(F)=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(F)=C1	REAL300007637471	0	41	-1.0	-51.90	359.40	4.89	-47.01
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(F)=C1	REAL300007637471	1	40	-2.0	-102.27	357.16	4.54	-97.73
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007637472	0	41	-1.0	-53.84	366.90	4.97	-48.87
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637473	0	43	-1.0	-53.16	365.83	5.27	-47.89
CN1C=CC2=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C21	REAL300007637474	0	44	-1.0	-54.20	375.13	7.09	-47.11
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007637475	0	46	-1.0	-52.43	400.28	5.81	-46.62
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637476	0	50	-1.0	-54.60	412.44	7.74	-46.86
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007637477	0	48	-1.0	-53.64	411.83	8.24	-45.40
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637478	0	43	-1.0	-54.47	358.29	7.33	-47.14
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007637479	0	38	-1.0	-53.10	356.57	4.18	-48.92
C=C(C)COC1=CC=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637480	0	48	-1.0	-52.23	404.75	6.94	-45.29
CCN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C2CC2)=N1	REAL300007637481	0	47	-1.0	-53.51	386.57	5.57	-47.94
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=NSN=C2C=C1	REAL300007637482	0	41	-1.0	-56.33	359.43	4.70	-51.63
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007637483	0	43	-1.0	-51.25	384.05	8.10	-43.15
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007637484	0	47	-1.0	-51.18	412.33	9.26	-41.92
O=C([O-])CCCCCCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007637485	0	36	-1.0	-52.45	348.75	3.30	-49.15
CCC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=C1Br	REAL300007637486	0	43	-1.0	-49.71	380.46	7.19	-42.52
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637487	0	50	-1.0	-51.32	408.18	6.51	-44.81
O=C([O-])CCCCCCNS(=O)(=O)C1=C(Cl)OC=C1	REAL300007637488	0	34	-1.0	-51.46	311.68	3.46	-48.00
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(Cl)=CS1	REAL300007637489	0	34	-1.0	-49.45	330.22	4.84	-44.61
COCCC1=CC=C(OC)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637490	0	51	-1.0	-52.72	418.50	5.65	-47.07
O=C([O-])CCCCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007637491	0	43	-1.0	-52.35	368.76	7.62	-44.73
CN1N=C2CCOCC2=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637492	0	45	-1.0	-52.42	372.06	3.00	-49.42
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007637493	0	44	-1.0	-51.39	364.27	7.56	-43.83
CC1(C)CCN(S(=O)(=O)NCCCCCCC(=O)[O-])CC1	REAL300007637494	0	48	-1.0	-49.34	371.91	5.29	-44.05
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007637495	0	52	-1.0	-51.64	423.30	5.71	-45.93
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637496	0	40	-1.0	-50.27	356.50	3.01	-47.26
COC1=NC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1C	REAL300007637497	0	43	-1.0	-51.32	368.73	2.74	-48.58
CC(C)CN1C=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=N1	REAL300007637498	0	46	-1.0	-53.82	388.83	5.43	-48.39
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637499	0	46	-1.0	-52.88	385.03	5.02	-47.86
O=C([O-])CCCCCCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007637500	0	47	-1.0	-51.97	383.64	3.09	-48.88
COCC1=CC(CS(=O)(=O)NCCCCCCC(=O)[O-])=NO1	REAL300007637501	0	43	-1.0	-56.58	375.76	3.20	-53.38
O=C([O-])CCCCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007637502	0	42	-1.0	-52.59	374.52	7.58	-45.01
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])N=C1	REAL300007637503	0	48	-1.0	-51.91	391.06	5.91	-46.00
CC(C)N1N=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637504	0	43	-1.0	-51.24	363.12	4.58	-46.66
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007637505	0	44	-1.0	-51.23	370.04	5.47	-45.76
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007637506	0	44	-1.0	-52.28	376.65	6.59	-45.69
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007637507	0	39	-1.0	-52.91	346.86	4.45	-48.46
O=C([O-])CCCCCCNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007637508	0	42	-1.0	-55.55	356.54	5.70	-49.85
CC1=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=NN1C(C)C	REAL300007637509	0	46	-1.0	-54.49	384.68	5.12	-49.37
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C=C1	REAL300007637510	0	51	-1.0	-51.93	430.21	8.89	-43.04
O=C([O-])CCCCCCNS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007637511	0	42	-1.0	-55.14	355.27	5.98	-49.16
CC1=CN=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C)=C1	REAL300007637512	0	42	-1.0	-53.72	353.91	4.91	-48.81
CC1=CN=CC=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637513	0	39	-1.0	-51.61	332.51	4.32	-47.29
O=C([O-])CCCCCCNS(=O)(=O)N1CC=C(Br)CC1	REAL300007637514	0	40	-1.0	-50.52	352.86	5.04	-45.48
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637515	0	45	-1.0	-59.07	379.67	1.12	-57.95
O=C([O-])CCCCCCNS(=O)(=O)N1CC2CCC(C1)O2	REAL300007637516	0	44	-1.0	-50.12	352.82	3.44	-46.68
N#CC1CCN(S(=O)(=O)NCCCCCCC(=O)[O-])CC1	REAL300007637517	0	43	-1.0	-55.39	359.71	4.80	-50.59
COC1=CC=NC(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637518	0	40	-1.0	-53.98	346.99	2.73	-51.25
C=CCN(CC=C)S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637519	0	43	-1.0	-49.90	361.91	5.22	-44.68
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(C(F)F)=C1	REAL300007637520	0	44	-1.0	-50.62	373.03	5.96	-44.66
COC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])N=C1	REAL300007637521	0	40	-1.0	-52.36	344.08	2.89	-49.47
CC1=CC=CN=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637522	0	39	-1.0	-52.97	327.91	4.04	-48.93
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637523	0	43	-1.0	-50.18	378.64	3.47	-46.71
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007637524	0	42	-1.0	-53.28	358.03	5.76	-47.52
CCOC1=CC=CN=C1S(=O)(=O)NCCCCCCC(=O)[O-]	REAL300007637525	0	43	-1.0	-56.45	363.76	4.70	-51.75
CC1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C2=NC=CC=C12	REAL300007637526	0	45	-1.0	-55.10	371.36	6.97	-48.13
CC1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=CC=N1	REAL300007637527	0	39	-1.0	-51.35	338.20	4.14	-47.21
O=C([O-])CCCCCCNS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007637528	0	41	-1.0	-54.24	347.98	4.96	-49.28
O=C([O-])CCCCCCNS(=O)(=O)N1CCC(F)(F)C1	REAL300007637529	0	39	-1.0	-50.75	338.41	3.80	-46.95
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007637530	0	39	-1.0	-56.39	352.40	4.30	-52.09
O=C([O-])CCCCCCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007637531	0	44	-1.0	-54.37	387.05	5.96	-48.41
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300007637532	0	50	-1.0	-51.52	403.06	7.36	-44.16
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)=C(C)O1	REAL300007637533	0	45	-1.0	-58.81	374.21	2.10	-56.71
CCS(=O)(=O)N1CCN(S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])CC1	REAL300007637534	0	43	-1.0	-61.11	360.43	2.70	-58.41
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)=C(C)O1	REAL300007637535	0	40	-1.0	-61.61	338.96	1.81	-59.80
CCCS(=O)(=O)N1CCN(S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])CC1	REAL300007637536	0	46	-1.0	-60.74	381.93	3.49	-57.25
CCS(=O)(=O)N1CCN(S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])CC1	REAL300007637537	0	43	-1.0	-61.11	360.43	2.70	-58.41
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)=C(C)O1	REAL300007637538	0	44	-1.0	-60.43	369.90	3.57	-56.86
CCC(C)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637539	0	43	-1.0	-49.11	345.05	7.01	-42.10
COC1=CC=C(C)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637540	0	38	-1.0	-53.53	312.41	5.07	-48.46
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637541	0	34	-1.0	-52.36	298.18	5.67	-46.69
CC(CN(C)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007637542	0	35	-1.0	-50.95	304.80	5.28	-45.67
CC(CN(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007637543	0	37	-1.0	-54.83	327.99	2.46	-52.37
CC(CN(C)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007637544	0	35	-1.0	-50.93	313.27	4.25	-46.68
COC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1OC	REAL300007637545	0	42	-1.0	-50.35	334.84	4.15	-46.20
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637546	0	34	-1.0	-44.72	297.88	5.69	-39.03
CC(CN(C)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007637547	0	47	-1.0	-48.83	368.24	8.23	-40.60
CC(CN(C)S(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007637548	0	37	-1.0	-54.07	313.05	3.68	-50.39
CC(CN(C)S(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007637549	0	31	-1.0	-47.32	278.08	5.21	-42.11
CC(CN(C)S(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007637550	0	31	-1.0	-50.80	288.59	5.07	-45.73
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637551	0	36	-1.0	-58.59	291.20	6.97	-51.62
CC(CN(C)S(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007637552	0	37	-1.0	-48.00	328.26	7.03	-40.97
CC(CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007637553	0	41	-1.0	-60.95	352.53	1.05	-59.90
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637554	0	42	-1.0	-54.40	348.98	6.26	-48.14
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007637555	0	37	-1.0	-49.83	313.02	5.45	-44.38
COCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637556	0	38	-1.0	-48.68	322.35	4.67	-44.01
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N1	REAL300007637557	0	37	-1.0	-45.86	314.84	2.57	-43.29
CC(CN(C)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007637558	0	40	-1.0	-60.30	352.32	3.14	-57.16
CC(CN(C)S(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007637559	0	36	-1.0	-64.04	317.05	0.51	-63.53
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1C	REAL300007637560	0	41	-1.0	-50.31	321.72	4.87	-45.44
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007637561	0	36	-1.0	-52.59	321.99	5.09	-47.50
CC(CN(C)S(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007637562	0	34	-1.0	-48.44	310.45	6.35	-42.09
CC(CN(C)S(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007637563	0	36	-1.0	-54.73	308.21	4.84	-49.89
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637564	0	48	-1.0	-51.83	406.12	4.16	-47.67
CC(CN(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007637565	0	41	-1.0	-54.50	342.77	0.55	-53.95
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007637566	0	40	-1.0	-50.94	337.42	6.08	-44.86
CCN1N=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1C	REAL300007637567	0	40	-1.0	-47.21	325.15	4.90	-42.31
CC(C)CN1C=NC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637568	0	40	-1.0	-57.52	333.26	5.77	-51.75
CC(CN(C)S(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007637569	0	43	-1.0	-48.80	323.26	7.85	-40.95
CC(CN(C)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007637570	0	44	-1.0	-54.12	366.38	7.15	-46.97
CC(CN(C)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007637571	0	39	-1.0	-66.10	335.06	3.92	-62.18
CC(CN(C)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007637572	0	37	-1.0	-47.21	336.71	6.02	-41.19
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1OC	REAL300007637573	0	39	-1.0	-52.96	334.55	4.02	-48.94
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(OC)C=C1Br	REAL300007637574	0	39	-1.0	-51.33	341.94	4.40	-46.93
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Br	REAL300007637575	0	34	-1.0	-46.17	305.88	5.62	-40.55
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007637576	0	37	-1.0	-47.85	314.54	7.34	-40.51
CC(CN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007637577	0	36	-1.0	-45.99	330.17	6.88	-39.11
CC(CN(C)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007637578	0	35	-1.0	-51.76	311.86	4.07	-47.69
CC(CN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007637579	0	38	-1.0	-53.57	328.94	6.16	-47.41
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637580	0	46	-1.0	-50.24	359.30	5.99	-44.25
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007637581	0	34	-1.0	-50.63	302.27	5.91	-44.72
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637582	0	42	-1.0	-55.05	347.16	4.15	-50.90
COC1=CC(C)=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C(C)=C1	REAL300007639001	0	45	-1.0	-52.06	347.59	5.72	-46.34
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CC1	REAL300007639002	0	46	-1.0	-52.04	378.15	8.64	-43.40
COC1=CC(C)=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C=C1C	REAL300007639003	0	45	-1.0	-51.96	359.28	5.50	-46.46
CC1=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300007639004	0	43	-1.0	-52.03	339.15	5.65	-46.38
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300007639005	0	40	-1.0	-53.04	331.33	5.12	-47.92
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC1CCC(C(=O)[O-])CC1)=C2	REAL300007639006	0	48	-1.0	-55.63	393.74	8.37	-47.26
CCN1C=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300007639007	0	40	-1.0	-54.81	347.34	5.51	-49.30
CCN1C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300007639007	1	39	-2.0	-108.19	340.99	5.31	-102.88
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CC1	REAL300007639008	0	42	-1.0	-51.27	364.83	5.21	-46.06
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300007639009	0	49	-1.0	-51.48	405.16	7.80	-43.68
CCC(=O)C1=CC=CC(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300007639010	0	43	-1.0	-54.47	357.02	5.80	-48.67
O=C([O-])C1CCC(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300007639011	0	45	-1.0	-57.10	375.16	6.28	-50.82
O=C([O-])C1CCC(NS(=O)(=O)C2=CN=C3NC=CC=C23)CC1	REAL300007639012	0	38	-1.0	-65.19	323.53	3.78	-61.41
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007639013	0	57	-1.0	-50.24	425.68	7.27	-42.97
CC1=CC=CC(CS(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300007639014	0	41	-1.0	-52.96	338.31	5.90	-47.06
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300007639015	0	43	-1.0	-59.36	367.50	1.23	-58.13
O=C([O-])C1CCC(NS(=O)(=O)CC2=CC=CC(F)=C2)CC1	REAL300007639016	0	38	-1.0	-54.40	323.30	5.30	-49.10
CC1=CC=CC=C1CS(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007639017	0	41	-1.0	-52.57	331.25	5.89	-46.68
CCOC1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300007639018	0	48	-1.0	-52.32	386.12	7.20	-45.12
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007639019	0	45	-1.0	-51.98	366.56	5.92	-46.06
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1	REAL300007639020	0	40	-1.0	-66.79	339.39	5.00	-61.79
O=C([O-])C1CCC(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300007639021	0	42	-1.0	-55.22	354.57	5.62	-49.60
CCOCCOC1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300007639022	0	49	-1.0	-51.77	400.75	4.99	-46.78
CCCCCOC1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300007639023	0	51	-1.0	-49.91	409.76	7.11	-42.80
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=CC3=C2CCCC3)CC1	REAL300007639024	0	45	-1.0	-50.88	341.77	7.31	-43.57
O=C([O-])C1CCC(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CC1	REAL300007639025	0	41	-1.0	-55.31	341.52	6.33	-48.98
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CC1	REAL300007639026	0	39	-1.0	-50.64	350.31	5.99	-44.65
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C3COCC3=C2)CC1	REAL300007639027	0	40	-1.0	-50.68	329.91	3.82	-46.86
O=C([O-])C1CCC(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300007639028	0	43	-1.0	-56.99	356.79	5.77	-51.22
O=C([O-])C1CCC(NS(=O)(=O)C2CCS(=O)(=O)CC2)CC1	REAL300007639029	0	41	-1.0	-60.03	339.69	1.05	-58.98
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1	REAL300007639030	0	40	-1.0	-54.83	342.20	4.70	-50.13
CCOC1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C(C)=C1	REAL300007639031	0	45	-1.0	-51.06	361.00	5.68	-45.38
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300007639032	0	43	-1.0	-57.20	367.73	0.99	-56.21
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300007639033	0	39	-1.0	-49.71	309.70	4.34	-45.37
CSC1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300007639034	0	39	-1.0	-49.98	334.12	5.55	-44.43
CCCCCCCS(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007639035	0	46	-1.0	-51.30	364.47	6.12	-45.18
O=C([O-])C1CCC(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300007639036	0	41	-1.0	-54.81	355.63	6.22	-48.59
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007639037	0	46	-1.0	-50.89	362.21	6.29	-44.60
CCN1C=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)N=C1C	REAL300007639038	0	41	-1.0	-57.55	340.34	4.40	-53.15
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=CC3=C2OCCO3)CC1	REAL300007639039	0	41	-1.0	-52.69	338.24	4.19	-48.50
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)CC1	REAL300007639040	0	40	-1.0	-52.97	331.16	5.02	-47.95
O=C([O-])C1CCC(NS(=O)(=O)CC2CCCCO2)CC1	REAL300007639041	0	42	-1.0	-54.03	333.36	3.63	-50.40
CC1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300007639042	0	41	-1.0	-52.88	348.32	6.05	-46.83
O=C([O-])C1CCC(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CC1	REAL300007639043	0	41	-1.0	-50.44	366.76	5.26	-45.18
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1	REAL300007639044	0	44	-1.0	-51.58	358.76	6.13	-45.45
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3CCC(C(=O)[O-])CC3)C=C12	REAL300007639045	0	43	-1.0	-55.57	357.45	4.54	-51.03
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007639046	0	42	-1.0	-53.36	361.80	5.13	-48.23
COCC1=CC=CC(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300007639047	0	42	-1.0	-55.51	346.19	4.54	-50.97
CC1(C)CC2=CC=CC(S(=O)(=O)NC3CCC(C(=O)[O-])CC3)=C2O1	REAL300007639048	0	46	-1.0	-52.61	372.98	5.78	-46.83
CCN1C=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C=N1	REAL300007639049	0	38	-1.0	-54.61	320.11	3.05	-51.56
O=C([O-])C1CCC(NS(=O)(=O)CC2=CC=CC=C2Cl)CC1	REAL300007639050	0	38	-1.0	-52.06	330.46	5.67	-46.39
O=C([O-])C1CCC(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300007639051	0	42	-1.0	-52.45	362.89	5.02	-47.43
CC(C1CC1)N(C)S(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007639052	0	43	-1.0	-49.05	341.37	4.62	-44.43
O=C([O-])C1CCC(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC1	REAL300007639053	0	43	-1.0	-52.43	355.63	5.10	-47.33
O=C([O-])C1CCC(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300007639054	0	38	-1.0	-52.91	337.73	6.33	-46.58
CC1CC2=CC(S(=O)(=O)NC3CCC(C(=O)[O-])CC3)=CC=C2O1	REAL300007639055	0	43	-1.0	-51.57	351.00	5.14	-46.43
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1CCC(C(=O)[O-])CC1	REAL300007639056	0	47	-1.0	-49.10	352.27	7.73	-41.37
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300007639057	0	47	-1.0	-56.37	381.93	3.49	-52.88
O=C([O-])C1CCC(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300007639058	0	41	-1.0	-51.72	360.35	5.20	-46.52
CC1=NC(C2=CC=C(S(=O)(=O)NC3CCC(C(=O)[O-])CC3)C=C2)=CO1	REAL300007639059	0	44	-1.0	-53.88	370.30	3.59	-50.29
CN1C=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300007639060	0	38	-1.0	-52.26	336.23	3.53	-48.73
CN1C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300007639060	1	37	-2.0	-102.93	329.33	3.27	-99.66
CC1=CC(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C(C)O1	REAL300007639061	0	38	-1.0	-52.72	320.44	4.19	-48.53
CC1=CSC(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300007639062	0	35	-1.0	-50.37	307.32	4.21	-46.16
O=C([O-])C1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300007639063	0	38	-1.0	-54.64	324.68	5.00	-49.64
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CC(C)N1C=NC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007639382	0	38	-1.0	-58.13	340.12	5.46	-52.67
CC(C)C1=NC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CN1	REAL300007639383	0	38	-1.0	-58.32	338.47	3.52	-54.80
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CC(COC1CCCC1)CS(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639408	0	48	-1.0	-58.19	395.24	6.48	-51.71
COCC(C)CS(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639409	0	38	-1.0	-58.61	328.70	3.41	-55.20
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COC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300007639414	0	38	-1.0	-58.64	350.19	5.83	-52.81
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639415	0	38	-1.0	-53.85	348.45	7.01	-46.84
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639416	0	38	-1.0	-55.04	348.46	7.00	-48.04
CC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300007639417	0	38	-1.0	-54.27	349.09	6.59	-47.68
CC(C)C1=CC=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639418	0	41	-1.0	-54.45	348.57	7.16	-47.29
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CCOC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007639420	0	39	-1.0	-56.52	346.02	5.31	-51.21
COCCN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007639421	0	39	-1.0	-57.90	354.43	2.69	-55.21
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CC1=CC(Br)=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007639428	0	35	-1.0	-53.80	337.39	6.36	-47.44
CC1=C(Br)C=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639429	0	35	-1.0	-54.02	328.13	6.38	-47.64
COCC1=CC=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639430	0	39	-1.0	-54.18	341.02	5.22	-48.96
COC1=CC(OC)=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300007639431	0	40	-1.0	-56.56	360.67	4.79	-51.77
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CC1(C)CC2=CC(S(=O)(=O)NCC3=CC=C(C(=O)[O-])C=C3)=CC=C2O1	REAL300007639434	0	43	-1.0	-55.54	372.12	6.33	-49.21
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CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639436	0	43	-1.0	-62.53	367.49	3.18	-59.35
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007639437	0	44	-1.0	-61.23	398.34	4.30	-56.93
CSC1=CC=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639438	0	36	-1.0	-55.53	319.01	5.26	-50.27
CCC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007639439	0	38	-1.0	-54.74	337.56	6.51	-48.23
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CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007639443	0	41	-1.0	-62.58	376.84	3.50	-59.08
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CC1=CC=C(CS(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300007639445	0	41	-1.0	-58.88	356.85	7.01	-51.87
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1C1=CC=CC=C1	REAL300007639446	0	46	-1.0	-56.22	402.87	8.14	-48.08
CC(C)CN(C)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639447	0	39	-1.0	-54.28	329.12	4.75	-49.53
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CN(C1CCCC1)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639449	0	40	-1.0	-53.64	331.91	4.96	-48.68
CC1(C)CN(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007639450	0	41	-1.0	-54.07	340.86	3.29	-50.78
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CC(C)N1N=CC2=CC(S(=O)(=O)NCC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300007639452	0	44	-1.0	-57.41	385.40	6.61	-50.80
CCS(=O)(=O)NCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639453	0	39	-1.0	-66.49	358.54	-0.16	-66.65
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CC1(CS(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)CCCCC1	REAL300007639480	0	44	-1.0	-56.28	344.51	6.60	-49.68
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COC1=CC=CC(OC)=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639714	0	40	-1.0	-58.61	348.66	5.60	-53.01
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007639715	0	40	-1.0	-56.25	353.50	7.15	-49.10
CC1=CC=C(C)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1[N+](=O)[O-]	REAL300007639716	0	40	-1.0	-62.02	350.85	8.05	-53.97
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CC1=CN=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300007639948	0	37	-1.0	-55.71	327.17	4.67	-51.04
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CC1=CC=CN=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639958	0	34	-1.0	-56.46	306.21	4.01	-52.45
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639959	0	38	-1.0	-53.81	351.95	3.26	-50.55
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CCOC1=CC=CN=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300007639961	0	38	-1.0	-59.23	339.57	4.37	-54.86
CC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)C2=NC=CC=C12	REAL300007639962	0	40	-1.0	-58.33	344.62	6.74	-51.59
CC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC=N1	REAL300007639963	0	34	-1.0	-55.12	311.47	3.90	-51.22
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CNC3=CC=CC=C23)C=C1	REAL300007639964	0	36	-1.0	-57.01	321.25	4.72	-52.29
O=C([O-])C1=CC=C(CNS(=O)(=O)N2CCC(F)(F)C2)C=C1	REAL300007639965	0	34	-1.0	-54.47	311.65	3.58	-50.89
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(C(F)F)=CC=N2)C=C1	REAL300007639966	0	34	-1.0	-60.04	324.88	4.12	-55.92
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)C=C1	REAL300007639967	0	39	-1.0	-57.18	360.20	5.71	-51.47
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007639968	0	45	-1.0	-55.17	374.65	7.03	-48.14
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007639969	0	28	-1.0	-40.77	270.13	3.75	-37.02
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007639970	0	29	-1.0	-48.76	276.76	2.44	-46.32
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007639971	0	31	-1.0	-52.19	293.38	-0.30	-52.49
CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007639972	0	29	-1.0	-41.95	278.69	1.97	-39.98
COC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OC	REAL300007639973	0	36	-1.0	-44.04	308.18	2.20	-41.84
CC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007639974	0	41	-1.0	-43.13	334.56	5.98	-37.15
CC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007639975	0	25	-1.0	-44.09	250.61	2.96	-41.13
CC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007639976	0	25	-1.0	-42.64	254.16	2.79	-39.85
CC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007639977	0	35	-1.0	-49.16	315.45	-1.25	-50.41
CC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007639978	0	34	-1.0	-55.08	317.74	0.39	-54.69
CC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007639979	0	30	-1.0	-49.59	289.68	2.58	-47.01
CC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007639980	0	28	-1.0	-42.15	277.41	3.52	-38.63
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007639981	0	42	-1.0	-48.79	374.54	1.25	-47.54
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007639982	0	34	-1.0	-49.23	307.84	3.55	-45.68
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007639983	0	38	-1.0	-51.44	338.39	5.17	-46.27
CC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007639984	0	33	-1.0	-53.12	299.24	1.57	-51.55
CC(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007639985	0	31	-1.0	-42.23	301.03	3.35	-38.88
COC1=CC(Cl)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OC	REAL300007639986	0	33	-1.0	-47.02	303.76	1.93	-45.09
COC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(OC)C=C1Br	REAL300007639987	0	33	-1.0	-47.37	310.27	1.90	-45.47
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007639988	0	28	-1.0	-46.76	270.51	3.27	-43.49
CC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007639989	0	31	-1.0	-43.93	289.43	5.00	-38.93
CC(NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300007639990	0	35	-1.0	-47.37	326.30	6.13	-41.24
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007639991	0	30	-1.0	-42.23	284.67	4.35	-37.88
COCCOC1=C(Cl)C=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300007639992	0	36	-1.0	-44.62	351.81	2.82	-41.80
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007639993	0	29	-1.0	-46.87	276.49	1.72	-45.15
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007639994	0	32	-1.0	-47.16	299.42	3.39	-43.77
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007639995	0	40	-1.0	-47.83	329.50	3.47	-44.36
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007639996	0	36	-1.0	-52.38	315.25	1.65	-50.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300007640001	0	36	-1.0	-49.05	324.72	-0.86	-49.91
CC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007640002	0	43	-1.0	-41.62	319.81	3.83	-37.79
CC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007640003	0	33	-1.0	-50.60	297.27	4.08	-46.52
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300007640004	0	43	-1.0	-52.87	374.18	4.75	-48.12
CC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007640005	0	36	-1.0	-48.02	308.32	0.58	-47.44
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640006	0	39	-1.0	-52.38	353.93	3.25	-49.13
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640007	0	39	-1.0	-50.01	351.29	3.47	-46.54
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007640008	0	40	-1.0	-52.19	354.95	3.54	-48.65
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640009	0	32	-1.0	-45.43	299.06	2.39	-43.04
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300007640010	0	43	-1.0	-49.31	382.72	0.29	-49.02
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300007640010	1	42	-2.0	-100.05	375.83	0.47	-99.58
COC1=CC(Br)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640011	0	29	-1.0	-45.75	281.62	2.01	-43.74
CC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007640012	0	29	-1.0	-47.19	276.47	2.26	-44.93
COC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007640013	0	31	-1.0	-45.19	286.30	2.83	-42.36
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640014	0	31	-1.0	-39.68	288.43	4.03	-35.65
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640015	0	31	-1.0	-40.57	288.56	4.02	-36.55
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007640016	0	31	-1.0	-40.98	287.29	3.68	-37.30
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007640017	0	32	-1.0	-47.49	297.02	2.72	-44.77
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300007640018	0	52	-1.0	-47.36	418.41	6.60	-40.76
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300007640019	0	39	-1.0	-47.96	351.25	0.51	-47.45
CC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007640020	0	33	-1.0	-53.17	303.54	4.26	-48.91
CC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007640021	0	28	-1.0	-43.10	277.41	3.51	-39.59
CC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007640022	0	28	-1.0	-50.32	270.84	3.36	-46.96
CC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007640023	0	32	-1.0	-58.33	297.48	0.04	-58.29
CC1=CC(Br)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640024	0	28	-1.0	-46.07	273.78	3.36	-42.71
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640025	0	28	-1.0	-42.26	266.72	3.63	-38.63
COC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300007640026	0	29	-1.0	-44.63	280.69	2.06	-42.57
COC1=CC(OC)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300007640027	0	33	-1.0	-45.36	308.05	1.86	-43.50
CC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007640028	0	28	-1.0	-49.03	277.39	1.25	-47.78
CC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007640029	0	28	-1.0	-50.11	272.17	1.23	-48.88
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1I	REAL300007640030	0	28	-1.0	-46.72	276.36	3.71	-43.01
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640031	0	37	-1.0	-50.75	336.52	1.38	-49.37
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640032	0	42	-1.0	-51.37	367.62	1.81	-49.56
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640033	0	42	-1.0	-51.43	375.73	0.68	-50.75
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007640034	0	33	-1.0	-49.94	309.97	-1.15	-51.09
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300007640035	0	39	-1.0	-50.30	368.72	-0.17	-50.47
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300007640036	0	40	-1.0	-48.32	357.40	-0.39	-48.71
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300007640037	0	39	-1.0	-51.66	356.46	0.66	-51.00
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300007640037	1	38	-2.0	-102.85	352.96	0.76	-102.09
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007640038	0	36	-1.0	-55.49	310.49	2.54	-52.95
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300007640039	0	39	-1.0	-48.66	352.93	0.53	-48.13
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007640040	0	40	-1.0	-49.57	335.45	2.80	-46.77
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300007640041	0	36	-1.0	-48.89	331.43	-0.26	-49.15
CC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007640042	0	40	-1.0	-49.40	344.53	2.53	-46.87
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007640043	0	37	-1.0	-51.60	322.93	2.48	-49.12
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640044	0	34	-1.0	-53.93	312.95	0.51	-53.42
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640045	0	35	-1.0	-57.47	320.87	-0.54	-58.01
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007640046	0	32	-1.0	-46.14	302.78	2.97	-43.17
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007640047	0	39	-1.0	-49.15	339.02	5.15	-44.00
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007640048	0	29	-1.0	-46.98	286.80	2.71	-44.27
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007640049	0	31	-1.0	-43.65	313.28	0.29	-43.36
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640050	0	32	-1.0	-45.11	302.16	2.78	-42.33
CC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007640051	0	39	-1.0	-44.90	345.82	4.11	-40.79
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640052	0	32	-1.0	-49.53	299.87	3.11	-46.42
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C21	REAL300007640053	0	37	-1.0	-48.47	321.78	3.62	-44.85
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007640054	0	31	-1.0	-46.46	285.76	3.43	-43.03
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007640055	0	28	-1.0	-42.60	288.89	4.15	-38.45
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007640056	0	31	-1.0	-43.30	301.49	5.11	-38.19
CC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007640057	0	28	-1.0	-45.33	287.60	4.07	-41.26
CC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007640058	0	31	-1.0	-49.16	291.75	5.08	-44.08
CC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007640059	0	31	-1.0	-43.98	293.70	3.97	-40.01
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007640060	0	39	-1.0	-50.00	347.01	5.52	-44.48
CC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007640061	0	38	-1.0	-49.45	340.24	3.73	-45.72
CC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007640062	0	36	-1.0	-55.54	330.31	-0.85	-56.39
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007640063	0	34	-1.0	-45.12	304.87	5.21	-39.91
CC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007640064	0	31	-1.0	-44.05	293.80	4.12	-39.93
COC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300007640065	0	32	-1.0	-41.97	294.62	2.97	-39.00
CC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007640066	0	34	-1.0	-52.74	316.67	0.42	-52.32
CSC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300007640067	0	29	-1.0	-46.04	286.22	3.55	-42.49
CC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007640068	0	33	-1.0	-46.29	301.99	0.62	-45.67
CC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007640069	0	36	-1.0	-45.06	327.33	1.92	-43.14
CC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007640070	0	31	-1.0	-46.33	298.03	4.98	-41.35
CCC1=CC(CC)=C(S(=O)(=O)NC(C)C(=O)[O-])C(CC)=C1	REAL300007640071	0	43	-1.0	-42.99	331.45	6.89	-36.10
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640072	0	39	-2.0	-102.07	351.83	-0.72	-102.79
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640072	1	40	-1.0	-52.86	354.68	-0.76	-53.62
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007640073	0	31	-1.0	-44.82	299.44	0.18	-44.64
CC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007640074	0	34	-1.0	-47.07	300.08	6.05	-41.02
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640075	0	43	0.0	-76.77	347.38	3.24	-73.53
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007640076	0	33	-1.0	-45.73	300.29	3.34	-42.39
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640077	0	32	-1.0	-46.37	302.66	2.32	-44.05
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007640078	0	25	-1.0	-40.04	265.96	2.40	-37.64
COC1=CC=C2C=C(S(=O)(=O)NC(C)C(=O)[O-])CCC2=C1	REAL300007640079	0	37	-1.0	-44.95	317.84	3.92	-41.03
CC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007640080	0	36	-1.0	-55.32	305.60	-0.70	-56.02
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C12	REAL300007640081	0	40	-1.0	-49.53	354.22	5.32	-44.21
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C12	REAL300007640082	0	44	-1.0	-46.88	372.57	2.85	-44.03
CCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007640083	0	33	-1.0	-45.19	295.28	3.99	-41.20
CC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007640084	0	25	-1.0	-41.05	254.02	2.80	-38.25
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640085	0	32	-1.0	-49.39	303.32	3.48	-45.91
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007640086	0	31	-1.0	-46.93	288.34	2.91	-44.02
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300007640087	0	41	-1.0	-50.44	359.46	-0.35	-50.79
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640088	0	42	-1.0	-47.90	369.61	1.88	-46.02
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007640089	0	36	-1.0	-48.01	328.39	0.17	-47.84
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007640090	0	29	-1.0	-46.58	280.92	2.05	-44.53
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007640091	0	31	-1.0	-39.54	310.66	4.19	-35.35
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300007640092	0	28	-1.0	-41.50	272.33	3.35	-38.15
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)=C1	REAL300007640093	0	39	-1.0	-47.08	340.95	5.60	-41.48
CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007640094	0	29	-1.0	-40.83	278.70	1.97	-38.86
CC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007640095	0	34	-1.0	-47.48	293.84	2.02	-45.46
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640096	0	41	-1.0	-51.09	336.36	4.28	-46.81
CC(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007640097	0	32	-1.0	-46.44	308.10	4.55	-41.89
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640098	0	29	-1.0	-49.31	281.47	2.56	-46.75
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640099	0	43	-1.0	-43.51	334.94	6.03	-37.48
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OCC	REAL300007640100	0	39	-1.0	-47.42	333.22	3.14	-44.28
CC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007640101	0	30	-1.0	-48.94	286.90	-2.86	-51.80
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300007640102	0	33	-1.0	-41.46	294.29	4.31	-37.15
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007640103	0	31	-1.0	-51.92	281.19	3.00	-48.92
CC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007640104	0	30	-1.0	-52.99	285.31	-2.97	-55.96
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007640105	0	37	-1.0	-50.57	342.10	-0.00	-50.57
CC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007640106	0	33	-1.0	-45.07	298.27	3.71	-41.36
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300007640107	0	33	-1.0	-52.61	290.42	4.93	-47.68
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007640108	0	36	-1.0	-52.01	326.57	0.08	-51.93
CC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007640109	0	37	-1.0	-52.90	319.86	1.52	-51.38
CC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007640110	0	31	-1.0	-54.87	291.53	-0.39	-55.26
CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007640111	0	35	-1.0	-46.79	304.91	5.82	-40.97
CC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007640112	0	35	-1.0	-45.00	306.87	5.59	-39.41
CC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007640113	0	39	-1.0	-46.48	328.70	4.42	-42.06
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007640114	0	30	-1.0	-47.96	290.26	4.70	-43.26
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007640115	0	36	-1.0	-48.45	336.34	5.48	-42.97
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640116	0	31	-1.0	-42.83	290.65	2.66	-40.17
CC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007640117	0	36	-1.0	-42.70	338.10	5.54	-37.16
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300007640118	0	40	-1.0	-44.17	350.89	4.31	-39.86
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)C(=O)[O-])C(C(C)C)=C1	REAL300007640119	0	52	-1.0	-44.26	393.86	8.22	-36.04
CC(C)OC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007640120	0	41	-1.0	-47.20	343.33	5.50	-41.70
CC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007640121	0	28	-1.0	-41.87	288.03	3.86	-38.01
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007640122	0	35	-1.0	-47.50	303.39	3.93	-43.57
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300007640123	0	43	-1.0	-47.59	369.97	2.16	-45.43
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007640124	0	41	-1.0	-46.22	352.76	-0.19	-46.41
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640125	0	33	-1.0	-41.24	293.86	4.66	-36.58
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640126	0	41	-1.0	-43.29	344.71	4.49	-38.80
CC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007640127	0	39	-1.0	-43.26	327.46	4.39	-38.87
CC(C)COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640128	0	38	-1.0	-43.31	325.75	3.89	-39.42
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007640129	0	29	-1.0	-46.56	286.05	2.22	-44.34
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007640130	0	38	-1.0	-44.19	322.20	3.76	-40.43
COCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640131	0	36	-1.0	-46.43	317.77	1.66	-44.77
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640132	0	28	-1.0	-40.37	270.21	3.72	-36.65
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300007640133	0	33	-1.0	-52.11	283.58	4.99	-47.12
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640134	0	34	-1.0	-51.40	309.54	0.65	-50.75
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007640135	0	37	-1.0	-50.10	340.07	-0.07	-50.17
CC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007640136	0	35	-1.0	-46.29	307.02	5.58	-40.71
CC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007640137	0	28	-1.0	-49.08	287.36	3.82	-45.26
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])S2)=CS1	REAL300007640138	0	31	-1.0	-45.16	312.86	2.76	-42.40
CC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007640139	0	45	-1.0	-43.40	367.40	5.78	-37.62
CC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007640140	0	36	-1.0	-46.03	316.91	6.29	-39.74
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300007640141	0	42	-1.0	-46.90	379.45	3.82	-43.08
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007640142	0	32	-1.0	-44.28	303.75	2.85	-41.43
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007640143	0	39	-1.0	-44.73	343.94	5.45	-39.28
CC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007640144	0	35	-1.0	-46.77	319.41	3.75	-43.02
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640145	0	47	-1.0	-42.29	366.33	5.04	-37.25
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007640146	0	33	-1.0	-49.80	309.76	-1.20	-51.00
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007640147	0	40	-1.0	-53.41	352.76	1.22	-52.19
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007640148	0	38	-1.0	-47.15	325.32	4.85	-42.30
CCOCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640149	0	39	-1.0	-46.41	339.49	2.63	-43.78
CCCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640150	0	41	-1.0	-43.19	348.51	4.76	-38.43
CC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007640151	0	29	-1.0	-41.14	289.10	3.64	-37.50
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1)C(=O)[O-]	REAL300007640152	0	46	-1.0	-53.49	378.75	2.78	-50.71
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007640153	0	44	-1.0	-53.29	363.14	-0.01	-53.30
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007640154	0	46	-1.0	-51.71	373.74	2.47	-49.24
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640155	0	46	-1.0	-45.42	386.05	3.10	-42.32
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300007640156	0	43	-1.0	-52.75	367.93	2.08	-50.67
CC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007640157	0	31	-1.0	-43.44	295.04	3.93	-39.51
CC(NS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1)C(=O)[O-]	REAL300007640158	0	31	-1.0	-48.68	319.34	3.48	-45.20
CC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007640159	0	37	-1.0	-46.28	327.78	4.20	-42.08
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007640160	0	31	-1.0	-42.86	287.29	3.68	-39.18
CC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007640161	0	31	-1.0	-49.23	304.68	2.91	-46.32
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007640162	0	36	-1.0	-48.05	349.51	-0.37	-48.42
COC1=CC(OC)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007640163	0	33	-1.0	-45.34	312.44	1.97	-43.37
CC(NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300007640164	0	38	-1.0	-50.35	353.92	4.34	-46.01
CC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007640165	0	33	-1.0	-50.65	296.18	2.86	-47.79
CC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007640166	0	28	-1.0	-50.36	280.73	3.71	-46.65
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640167	0	37	-1.0	-51.60	320.50	1.13	-50.47
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007640168	0	36	-1.0	-47.06	336.19	5.44	-41.62
CC(NS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300007640169	0	31	-1.0	-57.74	321.34	3.68	-54.06
CC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007640170	0	31	-1.0	-51.78	301.20	2.83	-48.95
CC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007640171	0	31	-1.0	-48.81	314.77	3.38	-45.43
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)=CO1	REAL300007640172	0	34	-1.0	-50.80	307.46	1.15	-49.65
CC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007640173	0	28	-1.0	-48.40	272.20	1.13	-47.27
CC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007640173	1	27	-2.0	-119.42	268.15	0.93	-118.49
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)C(=O)[O-])C=N2)C=C1	REAL300007640174	0	35	-1.0	-46.95	315.53	3.97	-42.98
CC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007640175	0	33	-1.0	-43.44	306.63	3.28	-40.16
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)C(=O)[O-])C=N1	REAL300007640176	0	36	-1.0	-51.91	318.67	2.82	-49.09
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640177	0	33	-1.0	-44.49	293.14	4.27	-40.22
CC1=CC=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007640178	0	33	-1.0	-52.98	288.40	5.16	-47.82
CC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007640179	0	33	-1.0	-42.04	293.11	4.27	-37.77
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640180	0	33	-1.0	-40.30	288.07	4.44	-35.86
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)=N1	REAL300007640181	0	34	-1.0	-47.74	317.07	3.56	-44.18
CC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007640182	0	32	-1.0	-54.47	296.18	-0.06	-54.53
CC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007640183	0	34	-1.0	-50.62	293.80	2.49	-48.13
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640184	0	50	-1.0	-43.21	413.14	7.09	-36.12
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640185	0	35	-1.0	-44.65	327.10	4.35	-40.30
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640186	0	38	-1.0	-45.89	322.86	3.83	-42.06
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007640187	0	39	-1.0	-47.64	348.25	5.44	-42.20
CCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007640188	0	44	-1.0	-46.39	362.47	5.13	-41.26
CCC1=NC(S(=O)(=O)NC(C)C(=O)[O-])=CN1CC1CC1	REAL300007640189	0	38	-1.0	-59.70	328.31	4.14	-55.56
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007640190	0	33	-1.0	-45.98	297.21	4.69	-41.29
CC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007640191	0	38	-1.0	-43.76	336.86	4.50	-39.26
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007640192	0	28	-1.0	-40.58	275.22	0.82	-39.76
CC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007640193	0	36	-1.0	-45.13	333.28	6.26	-38.87
CC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007640194	0	35	-1.0	-50.03	300.17	5.62	-44.41
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007640195	0	45	-1.0	-47.50	384.12	6.87	-40.63
CCC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(C)C=C1OC	REAL300007640196	0	38	-1.0	-42.97	319.90	3.90	-39.07
CC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007640197	0	31	-1.0	-40.55	303.91	4.05	-36.50
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007640198	0	41	-1.0	-46.54	340.74	4.34	-42.20
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007640199	0	37	-1.0	-46.24	309.00	4.34	-41.90
CC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007640200	0	44	-1.0	-43.26	357.83	6.71	-36.55
CC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007640201	0	28	-1.0	-42.09	264.63	0.98	-41.11
CCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007640202	0	47	-1.0	-46.07	383.73	5.92	-40.15
CCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007640203	0	47	-1.0	-43.82	376.70	5.88	-37.94
CCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1CC	REAL300007640204	0	41	-1.0	-43.66	347.40	4.68	-38.98
COCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007640205	0	36	-1.0	-48.34	336.40	2.24	-46.10
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)C(=O)[O-]	REAL300007640206	0	31	-1.0	-49.10	290.91	4.00	-45.10
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640207	0	41	-1.0	-47.80	345.14	4.79	-43.01
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300007640208	0	40	-1.0	-43.67	361.72	6.03	-37.64
CC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007640209	0	36	-1.0	-47.25	302.20	0.33	-46.92
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007640210	0	31	-1.0	-44.98	300.35	3.12	-41.86
CCCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007640211	0	50	-1.0	-46.21	405.47	6.69	-39.52
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300007640212	0	41	-1.0	-43.08	335.03	4.29	-38.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640213	0	35	-1.0	-45.67	308.53	3.64	-42.03
CCOCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007640214	0	48	-1.0	-48.39	396.22	4.56	-43.83
CC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007640215	0	31	-1.0	-47.46	284.69	2.81	-44.65
CC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007640216	0	38	-1.0	-46.94	321.36	3.07	-43.87
CC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007640217	0	31	-1.0	-41.22	288.33	4.32	-36.90
CC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007640218	0	31	-1.0	-41.68	302.26	3.34	-38.34
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640219	0	43	-1.0	-43.06	345.81	6.18	-36.88
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007640220	0	31	-1.0	-42.80	303.94	4.05	-38.75
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007640221	0	36	-1.0	-45.31	332.73	5.01	-40.30
COC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007640222	0	34	-1.0	-62.54	295.75	3.31	-59.23
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007640223	0	30	-1.0	-41.65	283.70	1.99	-39.66
CC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007640224	0	28	-1.0	-43.11	275.97	3.16	-39.95
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007640225	0	31	-1.0	-42.37	296.47	3.25	-39.12
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640226	0	35	-1.0	-42.36	328.91	2.95	-39.41
CC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007640227	0	25	-1.0	-44.67	251.37	2.54	-42.13
CC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007640228	0	39	-1.0	-46.44	332.73	1.34	-45.10
CC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007640229	0	40	-1.0	-42.04	328.12	4.83	-37.21
CC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C2=NC=CC=C12	REAL300007640230	0	36	-1.0	-52.98	305.41	4.55	-48.43
CC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007640231	0	33	-1.0	-45.67	286.65	2.18	-43.49
CC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007640232	0	28	-1.0	-45.06	292.53	4.21	-40.85
CC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007640233	0	35	-1.0	-45.09	313.13	3.38	-41.71
CC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007640234	0	38	-1.0	-44.95	319.91	3.14	-41.81
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007640235	0	36	-1.0	-46.74	319.69	4.93	-41.81
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC(C)=C1Br	REAL300007640236	0	31	-1.0	-44.67	288.56	3.84	-40.83
CC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007640237	0	35	-1.0	-49.28	306.91	3.64	-45.64
CC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007640238	0	29	-1.0	-47.16	284.73	3.94	-43.22
CC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007640239	0	29	-1.0	-47.12	284.73	3.95	-43.17
CC1=NC(S(=O)(=O)NC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007640240	0	34	-1.0	-56.66	310.37	1.44	-55.22
CC1=NC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007640240	1	33	-2.0	-133.90	304.70	0.98	-132.92
CC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007640241	0	42	-1.0	-42.53	309.35	5.06	-37.47
CC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007640242	0	29	-1.0	-56.07	278.28	1.12	-54.95
CC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007640243	0	35	-1.0	-52.04	313.60	4.98	-47.06
CC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007640244	0	47	-1.0	-47.44	360.42	6.27	-41.17
CC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007640245	0	29	-1.0	-43.19	278.86	2.50	-40.69
CC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007640246	0	29	-1.0	-49.03	276.53	1.72	-47.31
CC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007640247	0	34	-1.0	-45.57	309.70	2.57	-43.00
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640248	0	38	-1.0	-48.16	321.84	4.47	-43.69
CC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007640249	0	36	-1.0	-45.95	323.08	5.09	-40.86
CC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007640250	0	26	-1.0	-48.81	273.71	0.91	-47.90
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007640251	0	29	-1.0	-47.99	271.87	1.61	-46.38
CC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007640252	0	31	-1.0	-46.47	293.48	4.88	-41.59
CC(NS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007640253	0	34	-1.0	-40.33	325.35	4.55	-35.78
CC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007640254	0	35	-1.0	-43.53	323.61	6.10	-37.43
CC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007640255	0	24	-1.0	-48.77	261.82	0.14	-48.63
CCC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300007640256	0	31	-1.0	-41.46	291.89	4.04	-37.42
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640257	0	38	-1.0	-43.64	320.24	3.41	-40.23
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640258	0	39	-1.0	-51.72	336.74	2.44	-49.28
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007640259	0	31	-1.0	-46.62	293.10	5.06	-41.56
CC(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007640260	0	31	-1.0	-47.17	295.90	1.91	-45.26
CC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007640261	0	40	-1.0	-43.73	334.58	2.55	-41.18
CC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007640262	0	35	-1.0	-43.81	295.28	-0.04	-43.85
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007640263	0	30	-1.0	-42.03	283.96	4.35	-37.68
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007640264	0	39	-1.0	-46.63	339.68	5.65	-40.98
CC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007640265	0	28	-1.0	-42.34	265.05	1.85	-40.49
CC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007640266	0	33	-1.0	-51.18	288.74	-2.07	-53.25
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300007640267	0	48	-1.0	-44.52	404.31	7.37	-37.15
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(C(F)F)=C1	REAL300007640268	0	32	-1.0	-47.35	281.26	2.91	-44.44
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640269	0	31	-1.0	-42.66	299.00	0.33	-42.33
CC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007640270	0	32	-1.0	-47.38	306.77	3.15	-44.23
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007640271	0	38	-1.0	-48.24	323.49	4.23	-44.01
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007640272	0	45	-1.0	-57.81	387.06	6.80	-51.01
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300007640273	0	45	-1.0	-52.44	392.87	6.87	-45.57
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)C)C(=O)[O-])C=C1	REAL300007640274	0	43	-1.0	-52.13	354.63	3.87	-48.26
CCCCN(C)S(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640275	0	52	-1.0	-52.71	419.12	6.40	-46.31
CCCCS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640276	0	47	-1.0	-60.94	393.92	6.06	-54.88
CCOC1=CC=C(CC(CNS(=O)(=O)CC)C(=O)[O-])C=C1	REAL300007640277	0	41	-1.0	-61.28	350.92	4.48	-56.80
CCOC1=CC=C(CC(CNS(C)(=O)=O)C(=O)[O-])C=C1	REAL300007640278	0	38	-1.0	-61.76	329.45	3.59	-58.17
CCCS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640279	0	44	-1.0	-60.95	372.42	5.28	-55.67
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CS2)C(=O)[O-])C=C1	REAL300007640280	0	42	-1.0	-50.68	378.40	5.81	-44.87
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(C)S2)C(=O)[O-])C=C1	REAL300007640281	0	45	-1.0	-50.97	400.28	6.60	-44.37
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCOCC2)C(=O)[O-])C=C1	REAL300007640282	0	48	-1.0	-56.18	395.38	3.50	-52.68
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(C)N=C2)C(=O)[O-])C=C1	REAL300007640283	0	45	-1.0	-50.34	385.56	4.52	-45.82
CCOC1=CC=C(CC(CNS(=O)(=O)N(CC)CC)C(=O)[O-])C=C1	REAL300007640284	0	49	-1.0	-52.37	390.82	5.48	-46.89
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)C2CCCCC2)C(=O)[O-])C=C1	REAL300007640285	0	56	-1.0	-45.59	433.40	7.15	-38.44
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)N(C)N=C2C)C(=O)[O-])C=C1	REAL300007640286	0	51	-1.0	-54.48	417.35	5.73	-48.75
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(CC)C=C2)C(=O)[O-])C=C1	REAL300007640287	0	51	-1.0	-57.07	430.01	8.24	-48.83
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CNN=C2C)C(=O)[O-])C=C1	REAL300007640288	0	45	-1.0	-53.44	382.67	3.66	-49.78
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC(C)=CC(F)=C2)C(=O)[O-])C=C1	REAL300007640289	0	48	-1.0	-44.89	408.82	7.55	-37.34
CCOC1=CC=C(CC(CNS(=O)(=O)CCC2CC2)C(=O)[O-])C=C1	REAL300007640290	0	48	-1.0	-55.66	394.48	6.78	-48.88
CCOC1=CC=C(CC(CNS(=O)(=O)CC2=NOC=C2)C(=O)[O-])C=C1	REAL300007640291	0	44	-1.0	-65.61	385.82	4.79	-60.82
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)N(C)N=C2)C(=O)[O-])C=C1	REAL300007640292	0	48	-1.0	-59.00	408.90	5.07	-53.93
CCOC1=CC=C(CC(CNS(=O)(=O)N2CC3CCC2C3)C(=O)[O-])C=C1	REAL300007640293	0	51	-1.0	-52.03	413.92	6.34	-45.69
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(C(C)C)N=C2)C(=O)[O-])C=C1	REAL300007640294	0	51	-1.0	-57.01	431.88	5.88	-51.13
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(C(C)C)C=N2)C(=O)[O-])C=C1	REAL300007640295	0	51	-1.0	-55.42	431.91	7.18	-48.24
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CNC(C(C)C)=N2)C(=O)[O-])C=C1	REAL300007640296	0	51	-1.0	-60.13	424.46	5.14	-54.99
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CCCOC2)C(=O)[O-])C=C1	REAL300007640297	0	52	-1.0	-63.17	420.90	5.53	-57.64
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC(F)=C2C)C(=O)[O-])C=C1	REAL300007640298	0	48	-1.0	-51.91	406.39	7.72	-44.19
CCOC1=CC=C(CC(CNS(=O)(=O)C(C)CCOC)C(=O)[O-])C=C1	REAL300007640299	0	51	-1.0	-40.78	403.78	4.86	-35.92
CCOC1=CC=C(CC(CNS(=O)(=O)CC(C)CC)C(=O)[O-])C=C1	REAL300007640300	0	50	-1.0	-55.79	396.83	6.62	-49.17
CCOC1=CC=C(CC(CNS(=O)(=O)N(CC)CC2CC2)C(=O)[O-])C=C1	REAL300007640301	0	53	-1.0	-54.60	422.80	6.80	-47.80
CCCN1C=NC(S(=O)(=O)NCC(CC2=CC=C(OCC)C=C2)C(=O)[O-])=C1	REAL300007640302	0	51	-1.0	-55.24	433.79	7.55	-47.69
CCOC1=CC=C(CC(CNS(=O)(=O)CCOCC2CC2)C(=O)[O-])C=C1	REAL300007640303	0	52	-1.0	-45.89	427.32	6.00	-39.89
CCOC1=CC=C(CC(CNS(=O)(=O)CC(C)COC)C(=O)[O-])C=C1	REAL300007640304	0	51	-1.0	-62.23	421.09	5.12	-57.11
CCOCC(C)CS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640305	0	54	-1.0	-57.09	433.40	6.04	-51.05
CCOC1=CC=C(CC(CNS(=O)(=O)CCC(C)(C)C)C(=O)[O-])C=C1	REAL300007640306	0	53	-1.0	-55.48	418.10	6.93	-48.55
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCC(C)C2)C(=O)[O-])C=C1	REAL300007640307	0	50	-1.0	-50.77	411.25	5.74	-45.03
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC(CC)=C2)C(=O)[O-])C=C1	REAL300007640308	0	51	-1.0	-52.21	429.36	8.23	-43.98
CCOC1=CC=C(CC(CNS(=O)(=O)CCC2=CC=CS2)C(=O)[O-])C=C1	REAL300007640309	0	48	-1.0	-54.92	413.00	7.34	-47.58
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)CC(C)C)C(=O)[O-])C=C1	REAL300007640310	0	52	-1.0	-52.73	417.36	6.34	-46.39
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)CC)C(=O)[O-])C=C1	REAL300007640311	0	46	-1.0	-57.50	385.64	4.91	-52.59
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)C2CCCC2)C(=O)[O-])C=C1	REAL300007640312	0	53	-1.0	-50.41	425.15	6.58	-43.83
CCCN(C)S(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640313	0	49	-1.0	-57.39	407.14	5.67	-51.72
CCOC1=CC=C(CC(CNS(=O)(=O)CC2=CC(C)=NO2)C(=O)[O-])C=C1	REAL300007640314	0	47	-1.0	-54.06	407.16	5.66	-48.40
CCOC1=CC=C(CC(CNS(=O)(=O)CCC2CCCO2)C(=O)[O-])C=C1	REAL300007640315	0	52	-1.0	-61.52	428.88	5.60	-55.92
CCOC1=CC=C(CC(CNS(=O)(=O)CC(C)OC)C(=O)[O-])C=C1	REAL300007640316	0	48	-1.0	-57.76	394.15	4.46	-53.30
CCOC1=CC=C(CC(CNS(=O)(=O)CC2(C)CCCCC2)C(=O)[O-])C=C1	REAL300007640317	0	57	-1.0	-46.50	430.85	8.32	-38.18
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN=NN2C)C(=O)[O-])C=C1	REAL300007640318	0	44	-1.0	-50.37	381.09	3.22	-47.15
CCOC1=CC=C(CC(CNS(=O)(=O)CCC2CCC2)C(=O)[O-])C=C1	REAL300007640319	0	51	-1.0	-55.67	411.10	7.30	-48.37
CCOC1=CC=C(CC(CNS(=O)(=O)CCCC(C)(C)C)C(=O)[O-])C=C1	REAL300007640320	0	56	-1.0	-55.76	439.60	7.69	-48.07
CCOC1=CC=C(CC(CNS(=O)(=O)C2(COC)CC2)C(=O)[O-])C=C1	REAL300007640321	0	49	-1.0	-48.88	402.05	5.72	-43.16
CCOC1=CC=C(CC(CNS(=O)(=O)CC23CCC(CC2)C3)C(=O)[O-])C=C1	REAL300007640322	0	55	-1.0	-50.69	431.14	8.25	-42.44
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CC(F)(F)C2)C(=O)[O-])C=C1	REAL300007640323	0	48	-1.0	-45.90	401.56	6.66	-39.24
CCOC1=CC=C(CC(CNS(=O)(=O)CCC2CCOC2)C(=O)[O-])C=C1	REAL300007640324	0	52	-1.0	-47.62	415.57	5.20	-42.42
CCOC1=CC=C(CC(CNS(=O)(=O)C2=NN(C)C=C2)C(=O)[O-])C=C1	REAL300007640325	0	45	-1.0	-53.74	381.12	4.23	-49.51
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(Cl)C=C2)C(=O)[O-])C=C1	REAL300007640326	0	45	-1.0	-54.35	403.84	7.32	-47.03
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300007640327	0	49	-1.0	-56.88	416.60	6.09	-50.79
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(C)C=C2)C(=O)[O-])C=C1	REAL300007640328	0	48	-1.0	-57.47	408.52	7.47	-50.00
CCOC1=CC=C(CC(CNS(=O)(=O)CC)C(=O)[O-])C=C1	REAL300007640329	0	41	-1.0	-61.28	350.92	4.48	-56.80
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC(C)=C2)C(=O)[O-])C=C1	REAL300007640330	0	48	-1.0	-47.44	397.67	7.36	-40.08
CCOC1=CC=C(CC(CNS(=O)(=O)C=CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007640331	0	49	-1.0	-51.85	418.38	7.98	-43.87
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300007640332	0	45	-1.0	-51.75	403.20	7.32	-44.43
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC(C)=CC=C2C)C(=O)[O-])C=C1	REAL300007640333	0	51	-1.0	-46.36	417.07	8.36	-38.00
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(C)C(C)=C2)C(=O)[O-])C=C1	REAL300007640334	0	51	-1.0	-52.50	424.90	8.00	-44.50
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(C)C=C2C)C(=O)[O-])C=C1	REAL300007640335	0	51	-1.0	-46.41	417.07	8.36	-38.05
CCCCS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640336	0	47	-1.0	-60.94	393.92	6.06	-54.88
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC=C2OC)C(=O)[O-])C=C1	REAL300007640337	0	49	-1.0	-54.74	407.05	6.63	-48.11
CCOC1=CC=C(CC(CNS(=O)(=O)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007640338	0	48	-1.0	-52.37	410.22	7.51	-44.86
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)NN=C2C)C(=O)[O-])C=C1	REAL300007640339	0	48	-1.0	-55.16	403.32	4.63	-50.53
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)ON=C2C)C(=O)[O-])C=C1	REAL300007640340	0	47	-1.0	-52.44	400.30	5.76	-46.68
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCCCCC2)C(=O)[O-])C=C1	REAL300007640341	0	53	-1.0	-49.93	419.13	6.89	-43.04
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCCCC2)C(=O)[O-])C=C1	REAL300007640342	0	50	-1.0	-51.72	393.77	5.84	-45.88
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCCC2)C(=O)[O-])C=C1	REAL300007640343	0	47	-1.0	-50.64	389.93	5.15	-45.49
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCC(C)CC2)C(=O)[O-])C=C1	REAL300007640344	0	53	-1.0	-54.23	419.67	6.51	-47.72
CCOC1=CC=C(CC(CNS(=O)(=O)N2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300007640345	0	56	-1.0	-49.53	435.62	7.08	-42.45
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC(F)=CC=C2C)C(=O)[O-])C=C1	REAL300007640346	0	48	-1.0	-43.45	402.06	7.76	-35.69
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC(OC)=C2)C(=O)[O-])C=C1	REAL300007640347	0	49	-1.0	-54.77	415.98	6.10	-48.67
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC=C2CC)C(=O)[O-])C=C1	REAL300007640348	0	51	-1.0	-55.26	412.18	8.47	-46.79
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC=C2C)C(=O)[O-])C=C1	REAL300007640349	0	48	-1.0	-50.55	398.86	7.64	-42.91
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(C)C(C)=N2)C(=O)[O-])C=C1	REAL300007640350	0	48	-1.0	-61.61	410.00	5.68	-55.93
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(C)C(F)=C2)C(=O)[O-])C=C1	REAL300007640351	0	48	-1.0	-50.22	413.20	7.50	-42.72
CCOC1=CC=C(CC(CNS(=O)(=O)CC2=CC=C(C)C=C2)C(=O)[O-])C=C1	REAL300007640352	0	51	-1.0	-52.43	431.63	8.18	-44.25
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(C)C=N2)C(=O)[O-])C=C1	REAL300007640353	0	45	-1.0	-56.37	390.48	5.89	-50.48
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CN=C2)C(=O)[O-])C=C1	REAL300007640354	0	44	-1.0	-53.54	375.66	4.91	-48.63
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCCCC2C)C(=O)[O-])C=C1	REAL300007640355	0	53	-1.0	-49.59	416.88	6.88	-42.71
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)C(C)C)C(=O)[O-])C=C1	REAL300007640356	0	49	-1.0	-57.08	401.75	5.40	-51.68
CCCN(CCC)S(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640357	0	55	-1.0	-52.22	433.81	7.01	-45.21
CCOC1=CC=C(CC(CNS(=O)(=O)C2CC2)C(=O)[O-])C=C1	REAL300007640358	0	42	-1.0	-57.04	353.95	5.24	-51.80
CCOC1=CC=C(CC(CNS(=O)(=O)CC2=CC=CC=C2F)C(=O)[O-])C=C1	REAL300007640359	0	48	-1.0	-59.99	409.71	7.45	-52.54
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)N=C(C)S2)C(=O)[O-])C=C1	REAL300007640360	0	47	-1.0	-51.33	411.69	5.36	-45.97
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CCCC2)C(=O)[O-])C=C1	REAL300007640361	0	51	-1.0	-61.14	414.05	7.22	-53.92
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CSC=C2)C(=O)[O-])C=C1	REAL300007640362	0	42	-1.0	-55.85	378.23	5.69	-50.16
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CCCCC2)C(=O)[O-])C=C1	REAL300007640363	0	54	-1.0	-60.98	429.82	7.91	-53.07
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)C2CC2)C(=O)[O-])C=C1	REAL300007640364	0	47	-1.0	-49.80	391.96	5.46	-44.34
CCOC1=CC=C(CC(CNS(=O)(=O)CC2=CC=CC(C)=C2)C(=O)[O-])C=C1	REAL300007640365	0	51	-1.0	-57.33	422.68	8.12	-49.21
CCOC1=CC=C(CC(CNS(=O)(=O)CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300007640366	0	48	-1.0	-57.73	407.69	7.53	-50.20
CCOC1=CC=C(CC(CNS(=O)(=O)CC2=CC=CC=C2C)C(=O)[O-])C=C1	REAL300007640367	0	51	-1.0	-58.68	420.08	8.00	-50.68
CCOC1=CC=C(CC(CNS(=O)(=O)CCOC)C(=O)[O-])C=C1	REAL300007640368	0	45	-1.0	-53.63	375.04	3.50	-50.13
CCCCCCCS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640369	0	56	-1.0	-60.85	458.42	8.40	-52.45
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(CC)C(C)=N2)C(=O)[O-])C=C1	REAL300007640370	0	51	-1.0	-61.01	432.01	6.59	-54.42
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CCCO2)C(=O)[O-])C=C1	REAL300007640371	0	49	-1.0	-54.14	406.08	5.13	-49.01
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CCCCO2)C(=O)[O-])C=C1	REAL300007640372	0	52	-1.0	-47.77	418.95	5.84	-41.93
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CC2)C(=O)[O-])C=C1	REAL300007640373	0	45	-1.0	-50.75	381.91	6.05	-44.70
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(CC)N=C2)C(=O)[O-])C=C1	REAL300007640374	0	48	-1.0	-50.52	407.09	5.37	-45.15
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)C(C)C2CC2)C(=O)[O-])C=C1	REAL300007640375	0	53	-1.0	-51.82	418.33	6.72	-45.10
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=NN2C)C(=O)[O-])C=C1	REAL300007640376	0	45	-1.0	-52.70	382.26	4.24	-48.46
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CCOC2)C(=O)[O-])C=C1	REAL300007640377	0	49	-1.0	-50.97	402.56	4.71	-46.26
CCCCCS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640378	0	50	-1.0	-60.82	415.42	6.84	-53.98
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)CCOC)C(=O)[O-])C=C1	REAL300007640379	0	50	-1.0	-57.29	416.03	4.09	-53.20
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)CC2CC2)C(=O)[O-])C=C1	REAL300007640380	0	50	-1.0	-54.02	401.16	5.91	-48.11
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)OC(C)=C2)C(=O)[O-])C=C1	REAL300007640381	0	48	-1.0	-44.63	401.05	6.23	-38.40
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC(C)=CS2)C(=O)[O-])C=C1	REAL300007640382	0	45	-1.0	-50.57	400.04	6.47	-44.10
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(OC)N=C2)C(=O)[O-])C=C1	REAL300007640383	0	48	-1.0	-54.76	414.30	3.48	-51.28
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CO2)C(=O)[O-])C=C1	REAL300007640384	0	42	-1.0	-51.81	369.15	4.79	-47.02
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN=C3CCCN23)C(=O)[O-])C=C1	REAL300007640385	0	49	-1.0	-52.51	408.99	6.25	-46.26
CCOC1=CC=C(CC(CNS(=O)(=O)C2=COC=C2)C(=O)[O-])C=C1	REAL300007640386	0	42	-1.0	-54.00	363.18	4.58	-49.42
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)C=CS2)C(=O)[O-])C=C1	REAL300007640387	0	45	-1.0	-55.27	387.26	6.20	-49.07
CCOC1=CC=C(CC(CNS(=O)(=O)C2CCOC2)C(=O)[O-])C=C1	REAL300007640388	0	46	-1.0	-48.14	379.20	3.92	-44.22
C=CCCS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640389	0	45	-1.0	-60.50	385.23	5.84	-54.66
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CNC=N2)C(=O)[O-])C=C1	REAL300007640390	0	42	-1.0	-60.32	367.77	4.18	-56.14
CCOC1=CC=C(CC(CNS(=O)(=O)CCCF)C(=O)[O-])C=C1	REAL300007640391	0	44	-1.0	-57.79	369.45	5.36	-52.43
CCOC1=CC=C(CC(CNS(=O)(=O)CCCCF)C(=O)[O-])C=C1	REAL300007640392	0	47	-1.0	-56.27	390.95	6.14	-50.13
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(C)N=C2C)C(=O)[O-])C=C1	REAL300007640393	0	48	-1.0	-54.59	404.06	5.03	-49.56
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(C)O2)C(=O)[O-])C=C1	REAL300007640394	0	45	-1.0	-57.52	391.71	5.61	-51.91
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)C=NN2C)C(=O)[O-])C=C1	REAL300007640395	0	48	-1.0	-50.29	397.53	5.15	-45.14
C=C(C)CS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640396	0	45	-1.0	-60.87	385.26	5.71	-55.16
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(OC)C=CS2)C(=O)[O-])C=C1	REAL300007640397	0	46	-1.0	-60.35	396.50	5.21	-55.14
C=CCCCS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640398	0	48	-1.0	-61.24	406.73	6.62	-54.62
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CCC2)C(=O)[O-])C=C1	REAL300007640399	0	48	-1.0	-61.44	399.20	6.58	-54.86
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN=CC(OC)=C2)C(=O)[O-])C=C1	REAL300007640400	0	48	-1.0	-47.33	400.83	4.18	-43.15
CCOC1=CC=C(CC(CNS(=O)(=O)CCC2CCCCC2)C(=O)[O-])C=C1	REAL300007640401	0	57	-1.0	-46.06	447.04	8.48	-37.58
CCOC1=CC=C(CC(CNS(=O)(=O)CCC2CCCC2)C(=O)[O-])C=C1	REAL300007640402	0	54	-1.0	-46.10	430.56	7.90	-38.20
CCOC1=CC=C(CC(CNS(=O)(=O)C2(C)CC2)C(=O)[O-])C=C1	REAL300007640403	0	45	-1.0	-45.58	366.35	5.95	-39.63
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC(C)=C(C)S2)C(=O)[O-])C=C1	REAL300007640404	0	48	-1.0	-57.21	420.08	7.18	-50.03
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN=C(C)S2)C(=O)[O-])C=C1	REAL300007640405	0	44	-1.0	-46.61	384.80	4.53	-42.08
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN=C(CC)S2)C(=O)[O-])C=C1	REAL300007640406	0	47	-1.0	-46.20	406.28	5.28	-40.92
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)ON=C2N)C(=O)[O-])C=C1	REAL300007640407	0	46	-1.0	-52.14	392.90	4.21	-47.93
CCOC1=CC=C(CC(C[N-]S(=O)(=O)C2=C(C)ON=C2N)C(=O)[O-])C=C1	REAL300007640407	1	45	-2.0	-117.31	391.29	3.83	-113.48
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)C=C(C)S2)C(=O)[O-])C=C1	REAL300007640408	0	48	-1.0	-45.52	405.88	7.32	-38.20
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(C)N=C2)C(=O)[O-])C=C1	REAL300007640409	0	47	-1.0	-56.67	403.73	5.61	-51.06
CCOC1=CC=C(CC(CNS(=O)(=O)CC2=CSC(C)=N2)C(=O)[O-])C=C1	REAL300007640410	0	47	-1.0	-48.34	406.61	5.10	-43.24
CCOC1=CC=C(CC(CNS(=O)(=O)CC(OC)C2CC2)C(=O)[O-])C=C1	REAL300007640411	0	52	-1.0	-61.83	429.31	6.14	-55.69
CCOC1=CC=C(CC(CNS(=O)(=O)C2(CC)CC2)C(=O)[O-])C=C1	REAL300007640412	0	48	-1.0	-57.57	384.74	6.62	-50.95
CCOC1=CC=C(CC(CNS(=O)(=O)C2COC(C)(C)C2)C(=O)[O-])C=C1	REAL300007640413	0	52	-1.0	-58.73	419.83	5.12	-53.61
CCOC1=CC=C(CC(CNS(=O)(=O)CC(OCC)C2CC2)C(=O)[O-])C=C1	REAL300007640414	0	55	-1.0	-62.06	451.20	7.10	-54.96
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(C)N=C2CC)C(=O)[O-])C=C1	REAL300007640415	0	51	-1.0	-54.63	431.34	5.80	-48.83
CCOC1=CC=C(CC(CNS(=O)(=O)CCCC2CC2)C(=O)[O-])C=C1	REAL300007640416	0	51	-1.0	-61.10	425.53	7.62	-53.48
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CN=C2OC)C(=O)[O-])C=C1	REAL300007640417	0	48	-1.0	-54.37	405.00	4.03	-50.34
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN=C(C)N2C)C(=O)[O-])C=C1	REAL300007640418	0	48	-1.0	-47.21	395.42	5.75	-41.46
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC=N2)C(=O)[O-])C=C1	REAL300007640419	0	44	-1.0	-55.07	379.55	5.11	-49.96
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)SC=C2C)C(=O)[O-])C=C1	REAL300007640420	0	48	-1.0	-50.26	409.39	7.50	-42.76
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN=NN2CC)C(=O)[O-])C=C1	REAL300007640421	0	47	-1.0	-49.90	400.56	4.14	-45.76
CCOC1=CC=C(CC(CNS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C(=O)[O-])C=C1	REAL300007640422	0	54	-1.0	-52.27	423.30	6.71	-45.56
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCCC(C)(C)C2)C(=O)[O-])C=C1	REAL300007640423	0	56	-1.0	-49.61	441.16	7.19	-42.42
CCOC1=CC=C(CC(CNS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C(=O)[O-])C=C1	REAL300007640424	0	51	-1.0	-50.24	414.79	6.20	-44.04
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(C)C=CC=C2C)C(=O)[O-])C=C1	REAL300007640425	0	51	-1.0	-52.85	407.35	8.21	-44.64
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC(C)=NN2C)C(=O)[O-])C=C1	REAL300007640426	0	48	-1.0	-45.85	403.19	5.03	-40.82
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC(C)=C2C)C(=O)[O-])C=C1	REAL300007640427	0	51	-1.0	-45.62	408.46	8.15	-37.47
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)C2CCC2)C(=O)[O-])C=C1	REAL300007640428	0	50	-1.0	-50.43	407.21	5.93	-44.50
CCOC1=CC=C(CC(CNC(=O)N2CCC(F)(F)CC2)C(=O)[O-])C=C1	REAL300007640429	0	49	-1.0	-49.33	396.09	8.87	-40.46
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(OC)SC=C2)C(=O)[O-])C=C1	REAL300007640430	0	46	-1.0	-56.74	396.47	5.21	-51.53
CCOC1=CC=C(CC(CNS(=O)(=O)N(C)C(C)(C)C)C(=O)[O-])C=C1	REAL300007640431	0	52	-1.0	-52.45	403.73	6.23	-46.22
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(CC)O2)C(=O)[O-])C=C1	REAL300007640432	0	48	-1.0	-57.26	413.20	6.39	-50.87
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(OC)S2)C(=O)[O-])C=C1	REAL300007640433	0	46	-1.0	-50.59	410.26	5.25	-45.34
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN(CCF)N=C2)C(=O)[O-])C=C1	REAL300007640434	0	48	-1.0	-51.84	419.14	5.50	-46.34
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=CC=C2CF)C(=O)[O-])C=C1	REAL300007640435	0	48	-1.0	-61.12	406.96	7.88	-53.24
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300007640436	0	47	-1.0	-46.23	392.70	5.54	-40.69
CCOC1=CC=C(CC(CNS(=O)(=O)N2CC3CC2C3)C(=O)[O-])C=C1	REAL300007640437	0	48	-1.0	-58.54	398.83	5.70	-52.84
CCOCCCS(=O)(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007640438	0	51	-1.0	-62.67	427.95	5.31	-57.36
CCOC1=CC=C(CC(CNS(=O)(=O)CC2COCCO2)C(=O)[O-])C=C1	REAL300007640439	0	50	-1.0	-53.50	415.02	4.17	-49.33
CCOC1=CC=C(CC(CNS(=O)(=O)CCN2C=NN=N2)C(=O)[O-])C=C1	REAL300007640440	0	46	-1.0	-58.81	392.30	4.63	-54.18
CCOC1=CC=C(CC(CNS(=O)(=O)CC2CC(C)(C)CO2)C(=O)[O-])C=C1	REAL300007640441	0	55	-1.0	-61.37	441.23	5.88	-55.49
CCOC1=CC=C(CC(CNS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C(=O)[O-])C=C1	REAL300007640442	0	55	-1.0	-62.09	457.60	9.09	-53.00
CCOC1=CC=C(CC(CNS(=O)(=O)C2(CCOC)CC2)C(=O)[O-])C=C1	REAL300007640443	0	52	-1.0	-51.88	420.52	5.80	-46.08
CCOC1=CC=C(CC(CNS(=O)(=O)C2=NN(CC)N=C2)C(=O)[O-])C=C1	REAL300007640444	0	47	-1.0	-52.32	407.19	3.67	-48.65
CCOC1=CC=C(CC(C[N-]S(=O)(=O)C2=NN(CC)N=C2)C(=O)[O-])C=C1	REAL300007640444	1	46	-2.0	-128.64	405.71	3.27	-125.37
CCOC1=CC=C(CC(CNS(=O)(=O)[C@H]2COC[C@H]2OC)C(=O)[O-])C=C1	REAL300007640445	0	50	-1.0	-63.22	415.52	3.69	-59.53
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC(C)=CO2)C(=O)[O-])C=C1	REAL300007640446	0	45	-1.0	-54.26	385.24	5.37	-48.89
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(C)O2)C(=O)[O-])C=C1	REAL300007640447	0	45	-1.0	-57.52	391.71	5.61	-51.91
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CNN=C2CC)C(=O)[O-])C=C1	REAL300007640448	0	48	-1.0	-53.36	409.18	4.51	-48.85
CCOC1=CC=C(CC(CNS(=O)(=O)C2=C(Cl)OC=C2)C(=O)[O-])C=C1	REAL300007640449	0	42	-1.0	-52.85	370.90	4.83	-48.02
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCC(C)(C)CC2)C(=O)[O-])C=C1	REAL300007640450	0	56	-1.0	-50.65	437.03	6.78	-43.87
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=NN2C(C)C)C(=O)[O-])C=C1	REAL300007640451	0	51	-1.0	-45.59	422.73	6.06	-39.53
CCOC1=CC=C(CC(CNS(=O)(=O)C2=NC=C(C)C=C2C)C(=O)[O-])C=C1	REAL300007640452	0	50	-1.0	-48.16	408.78	6.29	-41.87
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=NC=C2C)C(=O)[O-])C=C1	REAL300007640453	0	47	-1.0	-55.33	397.57	5.90	-49.43
CCOC1=CC=C(CC(CNS(=O)(=O)N2CC3CCC(C2)O3)C(=O)[O-])C=C1	REAL300007640454	0	52	-1.0	-50.71	417.90	4.92	-45.79
CCOC1=CC=C(CC(CNS(=O)(=O)N2CCC(C#N)CC2)C(=O)[O-])C=C1	REAL300007640455	0	51	-1.0	-48.07	419.26	6.31	-41.76
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CCOC1=CC=C(CC(CNS(=O)(=O)C2=CC=C(OC)C=N2)C(=O)[O-])C=C1	REAL300007640458	0	48	-1.0	-48.06	406.43	4.17	-43.89
CCOC1=CC=C(CC(CNS(=O)(=O)C2=NC=CC=C2C)C(=O)[O-])C=C1	REAL300007640459	0	47	-1.0	-53.42	398.01	5.73	-47.69
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CCOC1=CC=C(CC(CNS(=O)(=O)N2CCC(F)(F)C2)C(=O)[O-])C=C1	REAL300007640461	0	47	-1.0	-46.45	397.98	5.30	-41.15
CCOC1=CC=C(CC(CNS(=O)(=O)C2=CN=CS2)C(=O)[O-])C=C1	REAL300007640462	0	41	-1.0	-51.13	373.22	3.92	-47.21
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CCN(CC)S(=O)(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300007640476	0	39	-1.0	-60.53	333.51	4.47	-56.06
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CCOC1=CC=C(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=N1	REAL300007640488	0	41	-1.0	-57.57	369.34	3.35	-54.22
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COC1=NC=C(Cl)C=C1S(=O)(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300007640882	0	38	-1.0	-58.55	355.43	3.44	-55.11
COC1=NC=C(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=C1C	REAL300007640883	0	41	-1.0	-56.99	367.62	3.15	-53.84
CC(C)CN1C=C(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=N1	REAL300007640884	0	44	-1.0	-52.45	387.73	5.82	-46.63
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300007640885	0	44	-1.0	-54.32	385.54	5.37	-48.95
COCC1=CC(CS(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)=NO1	REAL300007640886	0	41	-1.0	-65.54	374.66	3.61	-61.93
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)N=C1	REAL300007640887	0	46	-1.0	-60.11	392.70	6.12	-53.99
CC(C)N1N=CC=C1S(=O)(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300007640888	0	41	-1.0	-51.54	360.35	4.93	-46.61
O=C([O-])C1=C(CNS(=O)(=O)C2=CC=NN2CC2CC2)C2=CC=CC=C2O1	REAL300007640889	0	42	-1.0	-56.30	368.94	5.89	-50.41
O=C([O-])C1=C(CNS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C2=CC=CC=C2O1	REAL300007640890	0	42	-1.0	-51.59	370.85	6.57	-45.02
O=C([O-])C1=C(CNS(=O)(=O)C2=CC=C(C(F)F)C=N2)C2=CC=CC=C2O1	REAL300007640891	0	37	-1.0	-60.57	348.49	4.65	-55.92
O=C([O-])C1=C(CNS(=O)(=O)N2CCC3=CC=CN=C32)C2=CC=CC=C2O1	REAL300007640892	0	40	-1.0	-55.44	355.44	6.11	-49.33
CC1=C(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=NN1C(C)C	REAL300007640893	0	44	-1.0	-50.24	383.45	5.53	-44.71
O=C([O-])C1=C(CNS(=O)(=O)C2=NC=CC3=CC=CC=C32)C2=CC=CC=C2O1	REAL300007640894	0	40	-1.0	-56.50	356.91	6.22	-50.28
CC1=CN=C(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C(C)=C1	REAL300007640895	0	40	-1.0	-65.18	352.80	5.33	-59.85
CC1=CN=CC=C1S(=O)(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300007640896	0	37	-1.0	-48.90	330.71	4.82	-44.08
O=C([O-])C1=C(CNS(=O)(=O)N2CC3CCC(C2)O3)C2=CC=CC=C2O1	REAL300007640897	0	42	-1.0	-59.24	351.74	3.86	-55.38
N#CC1CCN(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)CC1	REAL300007640898	0	41	-1.0	-62.33	356.72	5.10	-57.23
COC1=CC=NC(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)=C1	REAL300007640899	0	38	-1.0	-62.73	345.88	3.15	-59.58
C=CCN(CC=C)S(=O)(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300007640900	0	41	-1.0	-60.70	360.81	5.62	-55.08
COC1=CC=C(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)N=C1	REAL300007640901	0	38	-1.0	-60.36	345.72	3.10	-57.26
CC1=CC=CN=C1S(=O)(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300007640902	0	37	-1.0	-66.10	331.84	4.66	-61.44
O=C([O-])C1=C(CNS(=O)(=O)C2=CC=NC3=CC=CC=C32)C2=CC=CC=C2O1	REAL300007640903	0	40	-1.0	-53.20	356.90	6.16	-47.04
CCOC1=CC=CN=C1S(=O)(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300007640904	0	41	-1.0	-67.49	365.19	5.02	-62.47
CC1=CC=C(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C2=NC=CC=C12	REAL300007640905	0	43	-1.0	-69.90	370.26	7.38	-62.52
CC1=CC(S(=O)(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)=CC=N1	REAL300007640906	0	37	-1.0	-50.97	337.10	4.54	-46.43
O=C([O-])C1=C(CNS(=O)(=O)C2=CNC3=CC=CC=C23)C2=CC=CC=C2O1	REAL300007640907	0	39	-1.0	-65.67	346.84	5.36	-60.31
O=C([O-])C1=C(CNS(=O)(=O)N2CCC(F)(F)C2)C2=CC=CC=C2O1	REAL300007640908	0	37	-1.0	-58.71	337.28	4.22	-54.49
O=C([O-])C1=C(CNS(=O)(=O)C2=CN=CS2)C2=CC=CC=C2O1	REAL300007640909	0	31	-1.0	-50.70	306.89	2.84	-47.86
O=C([O-])C1=C(CNS(=O)(=O)C2=CC(C(F)F)=CC=N2)C2=CC=CC=C2O1	REAL300007640910	0	37	-1.0	-57.46	350.53	4.75	-52.71
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640911	0	28	-1.0	-41.00	269.98	3.74	-37.26
C[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007640912	0	29	-1.0	-46.00	279.07	2.47	-43.53
C[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007640913	0	31	-1.0	-52.15	293.38	-0.30	-52.45
C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007640914	0	29	-1.0	-42.02	278.85	1.96	-40.06
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1OC	REAL300007640915	0	36	-1.0	-44.24	307.64	2.32	-41.92
C[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007640916	0	41	-1.0	-43.43	334.94	5.96	-37.47
C[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007640917	0	25	-1.0	-44.10	250.59	2.96	-41.14
C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007640918	0	25	-1.0	-42.62	254.02	2.80	-39.82
C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007640919	0	35	-1.0	-49.22	315.63	-1.26	-50.48
C[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007640920	0	34	-1.0	-60.09	317.73	0.38	-59.71
C[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007640921	0	30	-1.0	-49.62	289.65	2.58	-47.04
C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007640922	0	28	-1.0	-42.28	277.64	3.52	-38.76
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007640923	0	42	-1.0	-48.62	370.87	1.35	-47.27
C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007640924	0	35	-1.0	-53.66	303.56	-2.23	-55.89
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007640925	0	34	-1.0	-48.87	307.47	3.47	-45.40
C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007640926	0	38	-1.0	-51.39	338.47	5.17	-46.22
C[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007640927	0	33	-1.0	-53.12	299.25	1.57	-51.55
C[C@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007640928	0	31	-1.0	-42.14	300.91	3.35	-38.79
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1OC	REAL300007640929	0	33	-1.0	-47.03	303.76	1.93	-45.10
COC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(OC)C=C1Br	REAL300007640930	0	33	-1.0	-47.31	310.14	1.92	-45.39
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300007640931	0	28	-1.0	-43.07	272.33	3.36	-39.71
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007640932	0	31	-1.0	-43.89	289.41	5.01	-38.88
C[C@H](NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300007640933	0	35	-1.0	-44.10	328.54	6.19	-37.91
C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007640934	0	30	-1.0	-42.24	284.67	4.35	-37.89
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300007640935	0	36	-1.0	-43.14	354.05	2.87	-40.27
C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007640936	0	29	-1.0	-44.33	278.27	1.81	-42.52
C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007640937	0	32	-1.0	-48.87	297.53	3.31	-45.56
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640938	0	40	-1.0	-45.52	329.02	3.54	-41.98
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007640939	0	36	-1.0	-47.50	317.51	1.71	-45.79
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007641001	0	31	-1.0	-43.60	301.38	5.09	-38.51
C[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007641002	0	28	-1.0	-45.21	287.58	4.08	-41.13
C[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007641003	0	31	-1.0	-49.41	291.98	5.08	-44.33
C[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007641004	0	31	-1.0	-44.11	293.84	3.95	-40.16
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007641005	0	39	-1.0	-50.06	347.21	5.48	-44.58
C[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007641006	0	38	-1.0	-49.67	339.36	3.69	-45.98
C[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007641007	0	36	-1.0	-48.62	332.59	-0.75	-49.37
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007641008	0	34	-1.0	-45.72	298.05	5.08	-40.64
C[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007641009	0	31	-1.0	-44.06	293.81	4.12	-39.94
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300007641010	0	32	-1.0	-41.37	294.85	2.87	-38.50
C[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007641011	0	34	-1.0	-52.74	316.68	0.42	-52.32
CSC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300007641012	0	29	-1.0	-43.34	288.01	3.63	-39.71
C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007641013	0	33	-1.0	-45.02	304.28	0.73	-44.29
C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007641014	0	36	-1.0	-44.78	329.34	1.98	-42.80
C[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007641015	0	31	-1.0	-43.10	299.84	5.05	-38.05
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(CC)=C1	REAL300007641016	0	43	-1.0	-42.90	330.97	6.84	-36.06
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641017	0	39	-2.0	-112.44	353.98	-0.63	-113.07
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641017	1	40	-1.0	-52.91	354.25	-0.77	-53.68
C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007641018	0	31	-1.0	-41.66	301.34	0.24	-41.42
C[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007641019	0	34	-1.0	-47.09	300.71	5.98	-41.11
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641020	0	43	0.0	-69.34	347.32	3.28	-66.06
C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007641021	0	33	-1.0	-45.08	302.23	3.43	-41.65
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007641022	0	32	-1.0	-42.70	304.89	2.38	-40.32
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007641023	0	25	-1.0	-40.16	266.14	2.39	-37.77
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])CCC2=C1	REAL300007641024	0	37	-1.0	-45.27	318.22	3.91	-41.36
C[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007641025	0	36	-1.0	-55.93	305.46	-0.68	-56.61
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C12	REAL300007641026	0	40	-1.0	-48.88	356.10	5.42	-43.46
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C12	REAL300007641027	0	44	-1.0	-45.85	374.37	2.94	-42.91
CCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007641028	0	33	-1.0	-45.22	295.26	4.00	-41.22
C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007641029	0	25	-1.0	-41.35	254.38	2.78	-38.57
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641030	0	32	-1.0	-44.88	305.73	3.53	-41.35
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007641031	0	31	-1.0	-46.65	288.21	2.93	-43.72
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300007641032	0	41	-1.0	-48.39	361.45	-0.28	-48.67
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641033	0	42	-1.0	-44.45	369.59	1.88	-42.57
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007641034	0	36	-1.0	-44.88	329.17	0.13	-44.75
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300007641035	0	29	-1.0	-43.66	282.71	2.13	-41.53
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007641036	0	31	-1.0	-39.38	310.52	4.20	-35.18
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300007641037	0	28	-1.0	-41.38	272.20	3.37	-38.01
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)=C1	REAL300007641038	0	39	-1.0	-44.46	343.19	5.67	-38.79
C[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007641039	0	29	-1.0	-40.92	278.83	1.96	-38.96
C[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007641040	0	34	-1.0	-44.07	295.49	2.11	-41.96
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641041	0	41	-1.0	-46.85	338.63	4.32	-42.53
C[C@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007641042	0	32	-1.0	-46.45	308.09	4.55	-41.90
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641043	0	29	-1.0	-44.57	283.86	2.60	-41.97
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641044	0	43	-1.0	-43.89	339.31	6.19	-37.70
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1OCC	REAL300007641045	0	39	-1.0	-45.26	335.12	3.22	-42.04
C[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007641046	0	30	-1.0	-45.85	286.89	-2.86	-48.71
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007641047	0	33	-1.0	-45.47	293.93	3.88	-41.59
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1C	REAL300007641048	0	33	-1.0	-40.86	295.44	4.26	-36.60
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007641049	0	31	-1.0	-51.96	281.20	3.00	-48.96
C[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007641050	0	30	-1.0	-50.72	286.91	-2.87	-53.59
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007641051	0	37	-1.0	-50.44	341.87	0.01	-50.43
C[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007641052	0	33	-1.0	-45.39	298.63	3.63	-41.76
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300007641053	0	33	-1.0	-52.57	293.36	4.95	-47.62
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007641054	0	36	-1.0	-50.14	328.41	0.16	-49.98
C[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007641055	0	37	-1.0	-52.20	319.45	1.54	-50.66
C[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007641056	0	31	-1.0	-53.75	293.51	-0.31	-54.06
C[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007641057	0	35	-1.0	-46.75	304.29	5.84	-40.91
C[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007641058	0	35	-1.0	-45.01	306.86	5.59	-39.42
C[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007641059	0	39	-1.0	-46.49	328.70	4.42	-42.07
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007641060	0	30	-1.0	-47.88	290.47	4.70	-43.18
C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007641061	0	36	-1.0	-46.91	338.19	5.57	-41.34
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641062	0	31	-1.0	-42.97	290.79	2.65	-40.32
C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007641063	0	36	-1.0	-42.41	338.25	5.53	-36.88
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300007641064	0	40	-1.0	-44.24	351.02	4.30	-39.94
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(C(C)C)=C1	REAL300007641065	0	52	-1.0	-44.23	390.30	7.93	-36.30
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007641066	0	41	-1.0	-47.17	343.34	5.47	-41.70
C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007641067	0	28	-1.0	-41.94	287.98	3.86	-38.08
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007641068	0	35	-1.0	-47.70	303.49	3.92	-43.78
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300007641069	0	43	-1.0	-47.79	370.21	2.14	-45.65
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007641070	0	41	-1.0	-46.02	352.48	-0.18	-46.20
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641071	0	33	-1.0	-41.30	294.35	4.64	-36.66
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641072	0	41	-1.0	-43.34	344.99	4.48	-38.86
C[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007641073	0	39	-1.0	-43.27	327.46	4.39	-38.88
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641074	0	38	-1.0	-43.47	326.03	3.87	-39.60
C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007641075	0	29	-1.0	-44.09	288.08	2.28	-41.81
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1OC(C)C	REAL300007641076	0	38	-1.0	-43.92	322.18	3.77	-40.15
COCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641077	0	36	-1.0	-45.42	317.82	1.66	-43.76
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641078	0	28	-1.0	-40.14	270.13	3.74	-36.40
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1C	REAL300007641079	0	33	-1.0	-53.43	284.67	5.14	-48.29
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641080	0	34	-1.0	-51.70	309.63	0.63	-51.07
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007641081	0	37	-1.0	-48.17	342.10	-0.00	-48.17
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641082	0	33	-1.0	-45.33	309.45	-1.66	-46.99
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641083	0	33	-1.0	-51.45	290.21	0.85	-50.60
C[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007641084	0	35	-1.0	-46.30	307.02	5.58	-40.72
C[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007641085	0	28	-1.0	-41.24	289.58	3.91	-37.33
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S2)=CS1	REAL300007641086	0	31	-1.0	-45.51	313.23	2.72	-42.79
C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007641087	0	45	-1.0	-43.53	367.66	5.77	-37.76
C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007641088	0	36	-1.0	-46.34	317.30	6.27	-40.07
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300007641089	0	42	-1.0	-46.98	379.56	3.81	-43.17
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007641090	0	38	-1.0	-49.44	332.65	6.00	-43.44
C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007641091	0	32	-1.0	-44.27	303.76	2.85	-41.42
C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007641092	0	39	-1.0	-45.00	344.34	5.43	-39.57
C[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007641093	0	35	-1.0	-46.42	319.66	3.75	-42.67
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641094	0	47	-1.0	-42.66	369.02	5.11	-37.55
C[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007641095	0	33	-1.0	-49.70	306.41	-1.12	-50.82
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007641096	0	40	-1.0	-50.76	354.66	1.31	-49.45
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007641097	0	38	-1.0	-47.30	325.46	4.85	-42.45
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641098	0	39	-1.0	-45.60	339.91	2.61	-42.99
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641099	0	41	-1.0	-43.21	348.69	4.75	-38.46
C[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007641100	0	31	-1.0	-45.82	280.74	3.99	-41.83
C[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007641101	0	29	-1.0	-41.48	289.46	3.62	-37.86
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007641102	0	33	-1.0	-49.78	309.34	-1.65	-51.43
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1)C(=O)[O-]	REAL300007641103	0	46	-1.0	-50.37	384.10	3.07	-47.30
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007641104	0	44	-1.0	-48.64	366.90	0.10	-48.54
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007641105	0	46	-1.0	-48.95	372.95	2.48	-46.47
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641106	0	46	-1.0	-45.19	385.95	3.11	-42.08
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300007641107	0	43	-1.0	-49.81	369.93	2.16	-47.65
C[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007641108	0	31	-1.0	-43.48	294.72	3.90	-39.58
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1)C(=O)[O-]	REAL300007641109	0	31	-1.0	-48.28	318.83	3.76	-44.52
C[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007641110	0	37	-1.0	-46.33	327.77	4.20	-42.13
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(F)(F)F	REAL300007641111	0	31	-1.0	-43.21	287.27	3.70	-39.51
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007641112	0	31	-1.0	-48.60	304.08	3.20	-45.40
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641113	0	32	-1.0	-45.44	301.02	2.79	-42.65
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007641114	0	36	-1.0	-45.63	349.66	-0.38	-46.01
C[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007641115	0	37	-1.0	-57.22	329.44	0.67	-56.55
C[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007641116	0	32	-1.0	-42.45	302.34	2.69	-39.76
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300007641117	0	33	-1.0	-45.36	312.44	1.98	-43.38
C[C@H](NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300007641118	0	38	-1.0	-46.33	355.03	4.21	-42.12
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007641119	0	33	-1.0	-50.73	298.48	2.89	-47.84
C[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007641120	0	28	-1.0	-45.29	283.14	3.79	-41.50
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007641121	0	37	-1.0	-44.81	321.36	1.18	-43.63
C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007641122	0	36	-1.0	-45.69	338.25	5.52	-40.17
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300007641123	0	31	-1.0	-52.49	318.97	3.74	-48.75
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007641124	0	31	-1.0	-50.92	297.54	3.14	-47.78
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007641125	0	31	-1.0	-48.34	314.40	3.65	-44.69
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)=CO1	REAL300007641126	0	34	-1.0	-48.54	309.23	1.24	-47.30
C[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007641127	0	28	-1.0	-48.94	273.15	1.12	-47.82
C[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007641127	1	27	-2.0	-119.61	268.39	0.91	-118.70
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=N2)C=C1	REAL300007641128	0	35	-1.0	-46.91	315.43	3.98	-42.93
C[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007641129	0	33	-1.0	-44.12	306.62	3.30	-40.82
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=N1	REAL300007641130	0	36	-1.0	-50.76	321.43	2.94	-47.82
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007641131	0	33	-1.0	-44.28	292.82	4.27	-40.01
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007641132	0	33	-1.0	-50.79	291.37	5.46	-45.33
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007641133	0	33	-1.0	-42.24	292.72	4.31	-37.93
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641134	0	33	-1.0	-40.78	291.48	4.52	-36.26
C[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007641135	0	38	-1.0	-44.24	333.00	3.75	-40.49
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)=N1	REAL300007641136	0	34	-1.0	-44.86	318.92	3.64	-41.22
C[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007641137	0	32	-1.0	-49.31	297.82	0.03	-49.28
C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007641138	0	34	-1.0	-50.54	293.69	2.51	-48.03
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641139	0	50	-1.0	-43.39	413.42	7.08	-36.31
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641140	0	35	-1.0	-44.63	327.10	4.35	-40.28
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007641141	0	38	-1.0	-44.01	322.72	3.84	-40.17
C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007641142	0	39	-1.0	-45.32	350.28	5.52	-39.80
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007641143	0	44	-1.0	-43.73	364.28	5.22	-38.51
CCC1=NC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CN1CC1CC1	REAL300007641144	0	38	-1.0	-53.26	330.36	4.38	-48.88
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007641145	0	33	-1.0	-45.92	298.23	4.56	-41.36
C[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007641146	0	38	-1.0	-43.77	336.86	4.50	-39.27
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007641147	0	28	-1.0	-40.49	274.14	0.86	-39.63
C[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007641148	0	36	-1.0	-45.40	333.46	6.26	-39.14
CC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007641149	0	35	-1.0	-50.03	300.17	5.62	-44.41
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007641150	0	45	-1.0	-45.64	388.43	7.05	-38.59
CCC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(C)C=C1OC	REAL300007641151	0	38	-1.0	-42.91	319.92	3.91	-39.00
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007641152	0	31	-1.0	-40.76	304.03	4.04	-36.72
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007641153	0	41	-1.0	-43.95	342.65	4.42	-39.53
C[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007641154	0	37	-1.0	-43.05	311.07	4.42	-38.63
C[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007641155	0	44	-1.0	-43.23	357.83	6.71	-36.52
C[C@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007641156	0	28	-1.0	-42.10	264.63	0.98	-41.12
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007641157	0	47	-1.0	-43.69	385.78	6.00	-37.69
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)(C)C	REAL300007641158	0	47	-1.0	-43.91	376.83	5.87	-38.04
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1CC	REAL300007641159	0	41	-1.0	-43.73	347.38	4.69	-39.04
COCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300007641160	0	36	-1.0	-46.25	338.19	2.32	-43.93
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641161	0	31	-1.0	-41.80	293.43	4.10	-37.70
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641162	0	41	-1.0	-46.95	348.89	4.98	-41.97
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300007641163	0	40	-1.0	-43.65	361.71	6.03	-37.62
C[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007641164	0	36	-1.0	-47.26	302.07	0.35	-46.91
C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007641165	0	31	-1.0	-45.00	300.39	3.12	-41.88
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007641166	0	50	-1.0	-43.56	407.28	6.78	-36.78
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300007641167	0	41	-1.0	-43.13	335.11	4.28	-38.85
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641168	0	35	-1.0	-45.47	308.71	3.66	-41.81
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007641169	0	48	-1.0	-46.79	398.26	4.64	-42.15
C[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007641170	0	31	-1.0	-48.11	283.04	2.70	-45.41
C[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007641171	0	29	-1.0	-47.41	289.19	2.78	-44.63
C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007641172	0	38	-1.0	-47.26	323.06	3.11	-44.15
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300007641173	0	31	-1.0	-41.44	288.36	4.30	-37.14
C[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007641174	0	31	-1.0	-41.64	302.29	3.34	-38.30
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007641175	0	43	-1.0	-43.53	346.87	6.16	-37.37
C[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007641176	0	31	-1.0	-42.79	303.93	4.05	-38.74
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007641177	0	36	-1.0	-45.60	332.73	5.02	-40.58
COC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007641178	0	34	-1.0	-58.56	296.44	3.42	-55.14
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007641179	0	30	-1.0	-41.94	284.07	1.97	-39.97
C[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007641180	0	28	-1.0	-40.05	278.56	3.23	-36.82
C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007641181	0	31	-1.0	-42.30	296.35	3.25	-39.05
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641182	0	35	-1.0	-42.65	329.03	2.93	-39.72
C[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007641183	0	25	-1.0	-44.66	251.79	2.55	-42.11
C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007641184	0	39	-1.0	-46.46	332.73	1.34	-45.12
C[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007641185	0	40	-1.0	-47.15	326.61	4.72	-42.43
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=NC=CC=C12	REAL300007641186	0	36	-1.0	-53.37	305.65	4.53	-48.84
C[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007641187	0	33	-1.0	-45.55	286.52	2.19	-43.36
C[C@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007641188	0	28	-1.0	-45.12	292.66	4.20	-40.92
C[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007641189	0	35	-1.0	-45.09	313.11	3.38	-41.71
C[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007641190	0	38	-1.0	-45.10	320.05	3.13	-41.97
C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007641191	0	36	-1.0	-44.18	321.52	5.02	-39.16
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC(C)=C1Br	REAL300007641192	0	31	-1.0	-41.99	290.55	3.91	-38.08
C[C@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007641193	0	28	-1.0	-45.12	292.66	4.20	-40.92
C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007641194	0	35	-1.0	-49.69	307.56	3.65	-46.04
C[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007641195	0	29	-1.0	-42.51	287.25	4.02	-38.49
C[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007641196	0	29	-1.0	-42.59	287.11	4.04	-38.55
CC1=NC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007641197	0	34	-1.0	-51.39	308.09	1.48	-49.91
CC1=NC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007641197	1	33	-2.0	-133.76	304.21	1.01	-132.75
C[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007641198	0	42	-1.0	-42.45	309.22	5.07	-37.38
C[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007641199	0	29	-1.0	-48.21	280.20	1.23	-46.98
C[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007641200	0	35	-1.0	-44.25	315.52	5.09	-39.16
C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007641201	0	47	-1.0	-44.79	362.40	6.35	-38.44
C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007641202	0	29	-1.0	-43.17	279.36	2.50	-40.67
C[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007641203	0	29	-1.0	-45.27	278.28	1.81	-43.46
C[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007641204	0	34	-1.0	-42.25	311.68	2.65	-39.60
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641205	0	38	-1.0	-47.54	323.72	4.47	-43.07
C[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007641206	0	36	-1.0	-46.38	323.26	5.09	-41.29
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007641207	0	26	-1.0	-47.32	275.65	1.01	-46.31
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007641208	0	29	-1.0	-47.97	271.91	1.61	-46.36
C[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007641209	0	31	-1.0	-43.24	295.29	4.95	-38.29
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007641210	0	34	-1.0	-40.32	325.34	4.55	-35.77
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007641211	0	35	-1.0	-43.68	323.77	6.10	-37.58
C[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007641212	0	24	-1.0	-48.33	258.61	0.43	-47.90
CCC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300007641213	0	31	-1.0	-41.43	291.75	4.06	-37.37
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007641214	0	38	-1.0	-43.63	320.17	3.40	-40.23
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007641215	0	39	-1.0	-47.45	339.14	2.48	-44.97
C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007641216	0	31	-1.0	-48.68	290.81	5.00	-43.68
C[C@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007641217	0	31	-1.0	-44.74	297.68	1.99	-42.75
C[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007641218	0	40	-1.0	-44.35	334.57	2.55	-41.80
C[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007641219	0	35	-1.0	-48.82	287.72	-0.62	-49.44
C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007641220	0	30	-1.0	-42.18	284.67	4.35	-37.83
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007641221	0	39	-1.0	-44.47	341.89	5.72	-38.75
C[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007641222	0	28	-1.0	-42.47	261.36	1.75	-40.72
C[C@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007641223	0	33	-1.0	-46.16	288.28	-2.08	-48.24
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300007641224	0	48	-1.0	-44.55	404.33	7.37	-37.18
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(C(F)F)=C1	REAL300007641225	0	32	-1.0	-47.09	280.61	2.87	-44.22
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641226	0	31	-1.0	-42.58	299.31	0.35	-42.23
C[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007641227	0	32	-1.0	-47.37	306.54	3.17	-44.20
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007641228	0	38	-1.0	-47.97	323.94	4.24	-43.73
O=C([O-])C1=C(CNS(=O)(=O)C2=CC=CC=C2)C2=CC=CC=C2S1	REAL300007641229	0	35	-1.0	-49.27	325.91	6.33	-42.94
O=C([O-])C1=C(CNS(=O)(=O)C2=CC=CC(F)=C2)C2=CC=CC=C2S1	REAL300007641230	0	35	-1.0	-49.33	332.32	6.39	-42.94
CC(=O)C1=CC=CC(S(=O)(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)=C1	REAL300007641231	0	40	-1.0	-57.34	367.18	6.73	-50.61
CN(C)S(=O)(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007641232	0	33	-1.0	-47.05	302.94	3.52	-43.53
CCCCN(C)S(=O)(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007641233	0	42	-1.0	-46.84	367.46	5.99	-40.85
CCCCS(=O)(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007641234	0	37	-1.0	-46.54	332.76	5.59	-40.95
CCCS(=O)(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007641235	0	34	-1.0	-46.68	311.26	4.81	-41.87
O=C([O-])C1=C(CNS(=O)(=O)C2=CC=CS2)C2=CC=CC=C2S1	REAL300007641236	0	32	-1.0	-48.05	317.84	5.34	-42.71
CC1=CC=C(S(=O)(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)S1	REAL300007641237	0	35	-1.0	-48.69	339.74	6.14	-42.55
O=C([O-])C1=C(CNS(=O)(=O)C2=CC=C(Cl)S2)C2=CC=CC=C2S1	REAL300007641238	0	32	-1.0	-45.56	334.88	5.95	-39.61
COC1=CC=C(C)C=C1S(=O)(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007641239	0	42	-1.0	-52.04	367.85	6.82	-45.22
O=C([O-])C1=C(CNS(=O)(=O)N2CCOCC2)C2=CC=CC=C2S1	REAL300007641240	0	38	-1.0	-58.11	334.18	3.04	-55.07
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CC1=CC=CN=C1S(=O)(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007641535	0	37	-1.0	-50.93	336.78	5.22	-45.71
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CCOC1=CC=CN=C1S(=O)(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007641537	0	41	-1.0	-57.12	370.81	5.62	-51.50
CC1=CC(S(=O)(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)=CC=N1	REAL300007641538	0	37	-1.0	-49.12	342.70	5.15	-43.97
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CC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641543	0	35	-1.0	-61.93	309.11	3.92	-58.01
CCC(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641544	0	42	-1.0	-50.44	344.31	6.05	-44.39
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)S2)CCO1	REAL300007641545	0	27	-1.0	-48.99	275.29	3.04	-45.95
COC1=CC=C(C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641546	0	37	-1.0	-52.59	311.03	3.96	-48.63
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641547	0	33	-1.0	-50.17	291.30	4.40	-45.77
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CCO1	REAL300007641548	0	34	-1.0	-52.45	304.61	3.73	-48.72
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641549	0	36	-1.0	-58.17	326.37	0.98	-57.19
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CCO1	REAL300007641550	0	34	-1.0	-50.72	312.33	3.23	-47.49
COC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OC	REAL300007641551	0	41	-1.0	-52.77	328.69	2.96	-49.81
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641552	0	33	-1.0	-46.73	286.96	4.27	-42.46
CN(C1CCCCC1)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641553	0	41	-1.0	-49.15	322.73	3.90	-45.25
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641554	0	36	-1.0	-53.69	299.89	2.39	-51.30
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCO1	REAL300007641555	0	46	-1.0	-50.29	367.53	7.27	-43.02
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCOC3=C2)CCO1	REAL300007641556	0	36	-1.0	-50.89	310.82	2.60	-48.29
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2Br)CCO1	REAL300007641557	0	30	-1.0	-52.67	272.92	3.72	-48.95
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(Br)=C2)CCO1	REAL300007641558	0	30	-1.0	-50.95	287.63	4.06	-46.89
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641559	0	35	-1.0	-63.47	291.16	5.11	-58.36
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)CCO1	REAL300007641560	0	36	-1.0	-52.27	328.37	5.45	-46.82
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641561	0	40	-1.0	-60.75	348.58	0.01	-60.74
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641562	0	41	-1.0	-50.76	348.25	5.31	-45.45
CC1=CC(F)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641563	0	33	-1.0	-51.20	294.13	4.16	-47.04
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)CCO1	REAL300007641564	0	36	-1.0	-51.38	311.31	3.98	-47.40
COCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641565	0	37	-1.0	-50.73	321.41	3.17	-47.56
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300007641566	0	36	-1.0	-50.37	315.36	1.06	-49.31
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641567	0	39	-1.0	-61.75	351.37	1.66	-60.09
CS(=O)(=O)CCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641568	0	35	-1.0	-64.37	314.51	-0.52	-64.89
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1C	REAL300007641569	0	40	-1.0	-49.74	315.39	3.64	-46.10
O=C([O-])C1CN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CCO1	REAL300007641570	0	35	-1.0	-50.58	321.23	3.96	-46.62
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Br)C=C2)CCO1	REAL300007641571	0	33	-1.0	-50.85	311.43	4.78	-46.07
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)CCO1	REAL300007641572	0	35	-1.0	-54.48	306.51	3.85	-50.63
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300007641573	0	40	-1.0	-58.27	338.95	-0.88	-59.15
CN(C1CCOCC1)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641574	0	39	-1.0	-49.57	312.62	1.53	-48.04
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007641575	0	39	-1.0	-55.48	332.15	4.50	-50.98
CCN1N=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C	REAL300007641576	0	39	-1.0	-53.65	322.79	3.30	-50.35
CC(C)N1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300007641577	0	36	-1.0	-53.51	311.11	2.54	-50.97
CC(C)CN1C=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641578	0	39	-1.0	-56.75	331.04	4.70	-52.05
CC(C)N1C=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641579	0	36	-1.0	-58.40	311.75	3.82	-54.58
CC(C)C1=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1	REAL300007641580	0	36	-1.0	-57.18	310.30	1.89	-55.29
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641581	0	42	-1.0	-50.59	315.41	6.16	-44.43
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641582	0	38	-1.0	-54.90	332.76	2.85	-52.05
COC1=CC(Cl)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OC	REAL300007641583	0	38	-1.0	-49.27	329.09	2.84	-46.43
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Br	REAL300007641584	0	33	-1.0	-51.18	305.84	4.63	-46.55
CC1=C(F)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641585	0	33	-1.0	-49.33	277.24	3.83	-45.50
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCO1	REAL300007641586	0	36	-1.0	-50.33	316.39	6.22	-44.11
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CCO1	REAL300007641587	0	35	-1.0	-47.06	316.87	5.41	-41.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCO1	REAL300007641588	0	34	-1.0	-52.16	311.81	3.08	-49.08
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCO1	REAL300007641589	0	37	-1.0	-51.08	326.31	5.02	-46.06
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641590	0	45	-1.0	-48.89	356.00	4.37	-44.52
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)CCO1	REAL300007641591	0	33	-1.0	-50.62	298.54	4.31	-46.31
COCC1=CC=C(OC)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641592	0	41	-1.0	-53.65	344.69	3.02	-50.63
CC1=CC=C(C(CNS(=O)(=O)C2=CC(Cl)=CN=C2N)C(=O)[O-])C=C1	REAL300007645001	0	39	-1.0	-45.32	354.68	4.27	-41.05
CC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300007645002	0	37	-1.0	-48.90	341.00	4.22	-44.68
CCC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300007645003	0	40	-1.0	-48.46	362.49	4.97	-43.49
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C(N)=NO1	REAL300007645004	0	39	-1.0	-46.54	336.64	3.90	-42.64
CC1=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(C)C=C2)C(N)=NO1	REAL300007645004	1	38	-2.0	-118.62	337.12	3.65	-114.97
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(N(C)C)N=C2)C(=O)[O-])C=C1	REAL300007645005	0	45	-1.0	-49.07	379.69	6.42	-42.65
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300007645006	0	41	-1.0	-48.74	362.08	7.01	-41.73
CC1=CC=C(C(CNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(=O)[O-])C=C1	REAL300007645007	0	44	-1.0	-52.26	356.20	7.43	-44.83
CC1=CC=C(C(CNS(=O)(=O)C2=CC=CC3=C2OCO3)C(=O)[O-])C=C1	REAL300007645008	0	41	-1.0	-50.39	350.55	5.07	-45.32
CC1=CC=C(C(CNS(=O)(=O)C2=CC(C)=C(F)C(C)=C2)C(=O)[O-])C=C1	REAL300007645009	0	44	-1.0	-46.89	379.50	7.73	-39.16
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C(=O)[O-])C=C1	REAL300007645010	0	45	-1.0	-51.51	387.29	6.32	-45.19
CC1=CC=C(C(CNS(=O)(=O)CCCOCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007645011	0	51	-1.0	-60.02	433.32	8.16	-51.86
CC1=CC=C(C(CNS(=O)(=O)C2=CNC3=CC=CC(F)=C32)C(=O)[O-])C=C1	REAL300007645012	0	42	-1.0	-63.19	371.49	6.43	-56.76
CC1=CC=C(C(CNS(=O)(=O)C2=C3N=CSC3=CC=C2)C(=O)[O-])C=C1	REAL300007645013	0	40	-1.0	-55.77	356.81	6.16	-49.61
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(C)N=C2)C(=O)[O-])C=C1	REAL300007645014	0	40	-1.0	-49.02	349.07	5.21	-43.81
CC1=NC(CS(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=CS1	REAL300007645015	0	40	-1.0	-49.92	360.54	4.88	-45.04
COC(CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1)C1CC1	REAL300007645016	0	45	-1.0	-48.88	371.81	6.22	-42.66
CC1=CC=C(C(CNS(=O)(=O)CC2=CC=C(Cl)C=C2)C(=O)[O-])C=C1	REAL300007645017	0	41	-1.0	-46.64	370.70	7.73	-38.91
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(Cl)C(C)=C2)C(=O)[O-])C=C1	REAL300007645018	0	41	-1.0	-46.69	367.95	7.48	-39.21
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(=O)[O-])C=C1	REAL300007645019	0	44	-1.0	-53.30	379.41	7.55	-45.75
CC1=CC=C(C(CNS(=O)(=O)C2=CC=CC3=C2OCCC3)C(=O)[O-])C=C1	REAL300007645020	0	46	-1.0	-53.57	375.82	7.57	-46.00
CC1=CC=C(C(CNS(=O)(=O)C2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300007645021	0	47	-1.0	-53.05	385.24	6.88	-46.17
CC1=CC=C(C(CNS(=O)(=O)CC2=CC(F)=CC=C2Cl)C(=O)[O-])C=C1	REAL300007645022	0	41	-1.0	-57.27	377.62	7.75	-49.52
CCC1(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300007645023	0	41	-1.0	-58.21	334.12	6.16	-52.05
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007645024	0	51	-1.0	-50.73	420.24	8.16	-42.57
COC(CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1)C1CCCC1	REAL300007645025	0	51	-1.0	-57.00	405.40	6.98	-50.02
COC(CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1)C1CCCCC1	REAL300007645026	0	54	-1.0	-58.04	425.28	7.35	-50.69
CC1=CC=C(C(CNS(=O)(=O)C2COC(C)(C)C2)C(=O)[O-])C=C1	REAL300007645027	0	45	-1.0	-46.50	364.06	4.89	-41.61
CCOC(CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1)C1CC1	REAL300007645028	0	48	-1.0	-59.21	398.06	6.84	-52.37
CCC1=NC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=CN1CC1CC1	REAL300007645029	0	51	-1.0	-56.74	425.41	8.34	-48.40
CC1=CC=C(C(CNS(=O)(=O)C2=CN=C(C3CC3)S2)C(=O)[O-])C=C1	REAL300007645030	0	41	-1.0	-52.64	372.29	6.10	-46.54
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C(=O)[O-])C=C1	REAL300007645031	0	46	-1.0	-52.59	395.70	9.06	-43.53
CC1=CC=C(C(CNS(=O)(=O)C2=C(C3CC3)C=NN2C)C(=O)[O-])C=C1	REAL300007645032	0	45	-1.0	-46.45	376.76	6.38	-40.07
CC1=CC=C(C(CNS(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C(=O)[O-])C=C1	REAL300007645033	0	41	-1.0	-47.78	374.15	5.21	-42.57
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C(=O)[O-])C=C1	REAL300007645034	0	48	-1.0	-56.13	398.55	9.79	-46.34
CCC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=C(C)C=C1OC	REAL300007645035	0	51	-1.0	-55.47	418.95	8.06	-47.41
CC1=CC=C(C(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])C=C1	REAL300007645036	0	39	-2.0	-144.63	357.93	5.00	-139.63
CC1=CC=C(C(CNS(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])C=C1	REAL300007645036	1	40	-1.0	-57.92	358.65	5.36	-52.56
CC1=CC=C(C(CNS(=O)(=O)C2=C(C)C=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300007645037	0	47	-1.0	-58.83	383.82	9.44	-49.39
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(OC(C)C)N=C2)C(=O)[O-])C=C1	REAL300007645038	0	47	-1.0	-48.31	401.64	4.94	-43.37
COC1=C(F)C=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300007645039	0	42	-1.0	-49.69	355.93	6.68	-43.01
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CC1=CC=C(C(CNS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C(=O)[O-])C=C1	REAL300007645139	0	47	-1.0	-62.46	387.13	3.81	-58.65
COCCC1(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300007645140	0	45	-1.0	-58.23	367.68	5.22	-53.01
CCN1N=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300007645141	0	40	-1.0	-55.08	353.79	3.24	-51.84
CCN1N=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300007645141	1	39	-2.0	-128.04	351.39	3.10	-124.94
CC1=CC=C(C(CNS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C(=O)[O-])C=C1	REAL300007645142	0	51	-1.0	-46.84	397.72	8.49	-38.35
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(C3CC3)S2)C(=O)[O-])C=C1	REAL300007645143	0	42	-1.0	-48.99	376.29	7.69	-41.30
COC1=CC=C(C=C(C)S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300007645144	0	49	-1.0	-55.81	407.05	7.37	-48.44
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300007645145	0	43	-1.0	-49.05	358.65	3.38	-45.67
CC1=COC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007645146	0	38	-1.0	-49.57	337.06	5.05	-44.52
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)O1	REAL300007645147	0	38	-1.0	-49.99	337.07	5.20	-44.79
CCC1=NNC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300007645148	0	41	-1.0	-50.25	355.18	4.09	-46.16
COC1=CSC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=C1OC	REAL300007645149	0	43	-1.0	-47.69	380.10	4.42	-43.27
CC1=CC=C(C(CNS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C(=O)[O-])C=C1	REAL300007645150	0	50	-1.0	-54.12	392.99	7.05	-47.07
CC1=CC=C(C(CNS(=O)(=O)N(C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007645151	0	49	-1.0	-55.91	413.05	8.27	-47.64
COC1=CC(F)=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C(F)=C1	REAL300007645152	0	42	-1.0	-56.46	370.51	6.18	-50.28
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(C)C=C2)C(F)=C1	REAL300007645152	1	41	-2.0	-137.62	368.83	5.59	-132.03
CC1=CC=C(C(CNS(=O)(=O)C2=C3C=CC=CC3=NN2C)C(=O)[O-])C=C1	REAL300007645153	0	44	-1.0	-49.05	374.63	6.43	-42.62
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C(=O)[O-])C=C1	REAL300007645154	0	45	-1.0	-52.63	385.01	8.32	-44.31
CC1=CC=C(C(CNS(=O)(=O)C2=CC=CC=C2C(C)(F)F)C(=O)[O-])C=C1	REAL300007645155	0	44	-1.0	-56.66	369.29	8.40	-48.26
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007645156	0	49	-1.0	-52.42	416.11	8.01	-44.41
CCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C(C2CC2)=N1	REAL300007645157	0	48	-1.0	-51.57	392.06	6.41	-45.16
CC1=CC=C(C(CNS(=O)(=O)C2=C(C)C=CC3=NSN=C32)C(=O)[O-])C=C1	REAL300007645158	0	42	-1.0	-51.36	368.23	5.87	-45.49
CC1=CC=C(C(CNS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C(=O)[O-])C=C1	REAL300007645159	0	37	-1.0	-51.32	359.81	4.36	-46.96
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007645160	0	51	-1.0	-50.95	419.30	7.78	-43.17
CC1=CC=C(C(CNS(=O)(=O)C2=C(Cl)OC=C2)C(=O)[O-])C=C1	REAL300007645161	0	35	-1.0	-47.53	321.54	4.70	-42.83
CC1=CC=C(C(CNS(=O)(=O)C2=CC(Cl)=CS2)C(=O)[O-])C=C1	REAL300007645162	0	35	-1.0	-51.57	341.89	5.88	-45.69
CC1=CC=C(C(CNS(=O)(=O)C2=C3COCCC3=NN2C)C(=O)[O-])C=C1	REAL300007645163	0	46	-1.0	-49.56	383.16	4.05	-45.51
CC1=CC=C(C(CNS(=O)(=O)C2=CC=CC=C2C2CC2)C(=O)[O-])C=C1	REAL300007645164	0	45	-1.0	-50.56	375.33	8.62	-41.94
CC1=CC=C(C(CNS(=O)(=O)N2CCC(C)(C)CC2)C(=O)[O-])C=C1	REAL300007645165	0	49	-1.0	-47.14	381.90	6.54	-40.60
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300007645166	0	41	-1.0	-47.01	365.35	4.21	-42.80
COC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1C	REAL300007645167	0	44	-1.0	-52.23	380.39	3.79	-48.44
CC1=CC=C(C(CNS(=O)(=O)C2=CN(CC(C)C)N=C2)C(=O)[O-])C=C1	REAL300007645168	0	47	-1.0	-48.07	394.25	6.72	-41.35
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300007645169	0	47	-1.0	-51.07	396.40	6.10	-44.97
CC1=CC=C(C(CNS(=O)(=O)N2CCN(CC(F)F)CC2)C(=O)[O-])C=C1	REAL300007645170	0	48	-1.0	-55.78	395.31	4.14	-51.64
COCC1=CC(CS(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=NO1	REAL300007645171	0	44	-1.0	-53.12	386.82	4.25	-48.87
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)C(=O)[O-])C=C1	REAL300007645172	0	49	-1.0	-57.70	405.48	6.76	-50.94
CC1=CC=C(C(CNS(=O)(=O)C2=CC=NN2C(C)C)C(=O)[O-])C=C1	REAL300007645173	0	44	-1.0	-47.16	369.26	5.34	-41.82
CC1=CC=C(C(CNS(=O)(=O)C2=CC=NN2CC2CC2)C(=O)[O-])C=C1	REAL300007645174	0	45	-1.0	-47.38	381.18	6.55	-40.83
CC1=CC=C(C(CNS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007645175	0	45	-1.0	-50.09	384.40	7.33	-42.76
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(C(F)F)C=N2)C(=O)[O-])C=C1	REAL300007645176	0	40	-1.0	-57.41	361.27	5.29	-52.12
CC1=CC=C(C(CNS(=O)(=O)N2CCC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300007645177	0	43	-1.0	-61.20	368.19	6.76	-54.44
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C=NN1C(C)C	REAL300007645178	0	47	-1.0	-46.57	394.57	6.35	-40.22
CC1=CC=C(C(CNS(=O)(=O)C2=NC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300007645179	0	43	-1.0	-55.19	369.07	6.89	-48.30
CC1=CC=C(C(CNS(=O)(=O)C2=NC=C(C)C=C2C)C(=O)[O-])C=C1	REAL300007645180	0	43	-1.0	-50.32	362.70	6.09	-44.23
CC1=CC=C(C(CNS(=O)(=O)C2=CC=NC=C2C)C(=O)[O-])C=C1	REAL300007645181	0	40	-1.0	-46.41	343.58	5.38	-41.03
CC1=CC=C(C(CNS(=O)(=O)N(C)C2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300007645182	0	46	-1.0	-61.45	389.96	2.45	-59.00
CC1=CC=C(C(CNS(=O)(=O)N2CC3CCC(C2)O3)C(=O)[O-])C=C1	REAL300007645183	0	45	-1.0	-47.03	362.74	4.69	-42.34
COC1=CC=NC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007645185	0	41	-1.0	-53.50	358.05	3.80	-49.70
C=CCN(CC=C)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300007645186	0	44	-1.0	-55.01	373.61	6.28	-48.73
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C(C(F)F)=C1	REAL300007645187	0	45	-1.0	-51.55	389.13	6.77	-44.78
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)N=C1	REAL300007645188	0	41	-1.0	-57.52	358.50	3.73	-53.79
CC1=CC=C(C(CNS(=O)(=O)C2=NC=CC=C2C)C(=O)[O-])C=C1	REAL300007645189	0	40	-1.0	-50.35	341.74	5.43	-44.92
CC1=CC=C(C(CNS(=O)(=O)C2=CC=NC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300007645190	0	43	-1.0	-50.96	369.07	6.82	-44.14
CCOC1=CC=CN=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300007645191	0	44	-1.0	-62.64	377.42	5.88	-56.76
CC1=CC=C(C(CNS(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C(=O)[O-])C=C1	REAL300007645192	0	46	-1.0	-57.85	381.25	8.22	-49.63
CC1=CC=C(C(CNS(=O)(=O)C2=CC=NC(C)=C2)C(=O)[O-])C=C1	REAL300007645193	0	40	-1.0	-48.10	349.26	5.20	-42.90
CC1=CC=C(C(CNS(=O)(=O)C2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007645194	0	42	-1.0	-60.50	359.62	6.01	-54.49
CC1=CC=C(C(CNS(=O)(=O)N2CCC(F)(F)C2)C(=O)[O-])C=C1	REAL300007645195	0	40	-1.0	-52.68	349.51	5.08	-47.60
CC1=CC=C(C(CNS(=O)(=O)C2=CN=CS2)C(=O)[O-])C=C1	REAL300007645196	0	34	-1.0	-47.22	317.89	3.68	-43.54
CC1=CC=C(C(CNS(=O)(=O)C2=CC(C(F)F)=CC=N2)C(=O)[O-])C=C1	REAL300007645197	0	40	-1.0	-51.46	358.56	5.48	-45.98
CC1=CC=C(C(CNS(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C(=O)[O-])C=C1	REAL300007645198	0	51	-1.0	-60.06	411.36	8.27	-51.79
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645199	0	28	-1.0	-46.90	267.93	3.61	-43.29
C[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007645200	0	29	-1.0	-50.10	262.26	2.38	-47.72
C[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007645201	0	31	-1.0	-53.84	291.79	-0.40	-54.24
C[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007645202	0	29	-1.0	-44.83	276.82	1.88	-42.95
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1OC	REAL300007645203	0	36	-1.0	-48.51	306.29	2.24	-46.27
C[C@@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007645204	0	41	-1.0	-46.68	332.92	5.89	-40.79
C[C@@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007645205	0	25	-1.0	-50.90	252.27	2.98	-47.92
C[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007645206	0	25	-1.0	-45.80	252.13	2.72	-43.08
C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007645207	0	35	-1.0	-58.90	312.47	-1.30	-60.20
C[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007645208	0	34	-1.0	-59.70	316.12	0.28	-59.42
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007645209	0	30	-1.0	-49.84	278.24	2.67	-47.17
C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007645210	0	28	-1.0	-49.66	275.12	3.43	-46.23
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645211	0	42	-1.0	-52.58	368.88	1.27	-51.31
C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007645212	0	35	-1.0	-54.29	305.40	-1.99	-56.28
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007645213	0	34	-1.0	-50.41	305.25	3.42	-46.99
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007645214	0	38	-1.0	-53.13	336.34	5.07	-48.06
C[C@@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007645215	0	33	-1.0	-58.86	297.27	1.49	-57.37
C[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007645216	0	31	-1.0	-45.67	299.50	3.26	-42.41
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1OC	REAL300007645217	0	33	-1.0	-47.14	304.02	1.92	-45.22
COC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(OC)C=C1Br	REAL300007645218	0	33	-1.0	-47.43	297.29	1.95	-45.48
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300007645219	0	28	-1.0	-45.91	270.43	3.30	-42.61
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007645220	0	31	-1.0	-46.47	287.34	4.90	-41.57
C[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300007645221	0	35	-1.0	-47.36	326.32	6.14	-41.22
C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007645222	0	30	-1.0	-44.41	283.59	4.31	-40.10
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300007645223	0	36	-1.0	-44.79	352.05	2.81	-41.98
C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007645224	0	29	-1.0	-47.31	276.64	1.74	-45.57
C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007645225	0	32	-1.0	-49.12	284.07	3.81	-45.31
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645226	0	40	-1.0	-46.71	325.22	3.35	-43.36
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645227	0	36	-1.0	-52.54	302.72	1.69	-50.85
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=CC=CC=C1	REAL300007648001	0	38	-1.0	-52.03	345.05	4.70	-47.33
CSC1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300007648002	0	39	-1.0	-59.29	335.98	5.89	-53.40
CCC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007648003	0	41	-1.0	-49.51	353.95	7.14	-42.37
CCC1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007648004	0	44	-1.0	-58.41	378.32	7.85	-50.56
O=C([O-])C(CNS(=O)(=O)CCC1=CC=CS1)C1=CC=CC=C1	REAL300007648005	0	38	-1.0	-56.61	347.16	6.29	-50.32
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007648006	0	44	-1.0	-57.73	390.96	4.25	-53.48
CC1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300007648007	0	44	-1.0	-50.19	373.24	7.62	-42.57
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CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)N=C1	REAL300007648917	0	50	-1.0	-55.87	419.62	6.53	-49.34
CC(C)N1N=CC=C1S(=O)(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300007648918	0	45	-1.0	-54.45	388.95	5.39	-49.06
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CC1=C(S(=O)(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C=NN1C(C)C	REAL300007648922	0	48	-1.0	-58.05	411.93	5.88	-52.17
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CC1=CN=C(S(=O)(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1	REAL300007648924	0	44	-1.0	-56.53	379.73	5.74	-50.79
CC1=CN=CC=C1S(=O)(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300007648925	0	41	-1.0	-55.24	358.34	5.14	-50.10
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N#CC1CCN(S(=O)(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300007648927	0	45	-1.0	-58.47	385.53	5.62	-52.85
COC1=CC=NC(S(=O)(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300007648928	0	42	-1.0	-56.50	372.81	3.55	-52.95
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COC1=CC=C(S(=O)(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)N=C1	REAL300007648930	0	42	-1.0	-56.22	372.64	3.51	-52.71
CC1=CC=CN=C1S(=O)(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300007648931	0	41	-1.0	-57.23	358.77	5.07	-52.16
O=C([O-])COC1=CC=C(CCNS(=O)(=O)C2=CC=NC3=CC=CC=C32)C=C1	REAL300007648932	0	44	-1.0	-56.49	383.85	6.58	-49.91
CCOC1=CC=CN=C1S(=O)(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300007648933	0	45	-1.0	-56.59	392.12	5.43	-51.16
CC1=CC(S(=O)(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)=CC=N1	REAL300007648934	0	41	-1.0	-54.36	364.03	4.96	-49.40
O=C([O-])COC1=CC=C(CCNS(=O)(=O)C2=CNC3=CC=CC=C32)C=C1	REAL300007648935	0	43	-1.0	-56.59	373.79	5.77	-50.82
O=C([O-])COC1=CC=C(CCNS(=O)(=O)N2CCC(F)(F)C2)C=C1	REAL300007648936	0	41	-1.0	-54.04	364.21	4.62	-49.42
O=C([O-])COC1=CC=C(CCNS(=O)(=O)C2=CN=CS2)C=C1	REAL300007648937	0	35	-1.0	-53.98	333.82	3.26	-50.72
O=C([O-])COC1=CC=C(CCNS(=O)(=O)C2=CC(C(F)F)=CC=N2)C=C1	REAL300007648938	0	41	-1.0	-56.70	375.59	5.12	-51.58
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007648939	0	37	-1.0	-57.31	320.86	5.09	-52.22
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007648940	0	44	-1.0	-47.45	354.95	7.11	-40.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007648941	0	29	-1.0	-44.84	287.56	4.22	-40.62
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648942	0	39	-1.0	-50.12	323.66	5.15	-44.97
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648943	0	35	-1.0	-44.30	309.54	5.68	-38.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007648944	0	36	-1.0	-50.30	316.52	4.87	-45.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300007648945	0	38	-1.0	-56.48	336.97	2.04	-54.44
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007648946	0	36	-1.0	-47.04	324.08	4.41	-42.63
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300007648947	0	43	-1.0	-50.20	343.44	4.26	-45.94
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648948	0	35	-1.0	-44.10	303.02	5.63	-38.47
CN(C1CCCCC1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648949	0	43	-1.0	-47.41	334.35	5.04	-42.37
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648950	0	38	-1.0	-47.79	315.51	3.70	-44.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007648951	0	48	-1.0	-47.41	378.12	8.33	-39.08
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007648952	0	38	-1.0	-50.17	322.57	3.77	-46.40
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007648953	0	32	-1.0	-53.63	285.85	4.98	-48.65
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007648954	0	32	-1.0	-47.44	299.38	5.24	-42.20
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648955	0	37	-1.0	-60.71	306.98	6.50	-54.21
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007648956	0	38	-1.0	-50.62	341.04	6.60	-44.02
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648957	0	42	-1.0	-59.83	361.63	1.15	-58.68
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007648958	0	43	-1.0	-47.44	358.88	6.36	-41.08
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007648959	0	35	-1.0	-48.73	304.08	5.25	-43.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007648960	0	38	-1.0	-50.03	324.29	5.11	-44.92
COCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007648961	0	39	-1.0	-48.30	331.34	4.24	-44.06
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300007648962	0	38	-1.0	-46.67	325.30	2.14	-44.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300007648963	0	41	-1.0	-59.22	361.30	2.73	-56.49
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCS(C)(=O)=O)C1	REAL300007648964	0	37	-1.0	-63.49	327.57	0.63	-62.86
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1C	REAL300007648965	0	42	-1.0	-47.03	333.57	4.99	-42.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007648966	0	37	-1.0	-49.05	332.88	5.15	-43.90
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007648967	0	35	-1.0	-50.86	323.68	5.97	-44.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007648968	0	37	-1.0	-50.98	319.06	5.01	-45.97
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	REAL300007648969	0	42	-1.0	-56.60	352.42	0.26	-56.34
CN(C1CCOCC1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648970	0	41	-1.0	-50.67	324.73	2.62	-48.05
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007648971	0	41	-1.0	-53.62	343.59	5.78	-47.84
CCN1N=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300007648972	0	41	-1.0	-47.96	337.38	4.55	-43.41
CC(C)N1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300007648973	0	38	-1.0	-48.54	323.81	3.68	-44.86
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007648974	0	41	-1.0	-54.31	341.28	5.84	-48.47
CC(C)N1C=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007648975	0	38	-1.0	-50.47	323.53	5.01	-45.46
CC(C)C1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1	REAL300007648976	0	38	-1.0	-53.62	320.55	3.03	-50.59
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648977	0	44	-1.0	-47.56	333.26	7.54	-40.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300007648978	0	45	-1.0	-53.12	376.48	7.25	-45.87
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007648979	0	40	-1.0	-55.80	345.48	3.98	-51.82
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300007648980	0	40	-1.0	-48.63	342.41	4.09	-44.54
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Br	REAL300007648981	0	35	-1.0	-47.64	317.58	5.81	-41.83
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648982	0	35	-1.0	-47.48	293.70	5.12	-42.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007648983	0	38	-1.0	-47.39	327.75	7.06	-40.33
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007648984	0	37	-1.0	-51.93	332.81	6.71	-45.22
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007648985	0	36	-1.0	-47.64	323.56	4.26	-43.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007648986	0	39	-1.0	-49.46	336.89	6.08	-43.38
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648987	0	47	-1.0	-50.56	376.25	6.00	-44.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007648988	0	35	-1.0	-48.55	308.45	5.39	-43.16
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007648989	0	43	-1.0	-51.01	357.31	4.20	-46.81
CCCN1C=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649001	0	38	-1.0	-54.17	326.53	5.34	-48.83
COCCOCCOCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649002	0	46	-1.0	-53.51	387.06	1.92	-51.59
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649003	0	48	-1.0	-51.28	379.90	5.95	-45.33
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649004	0	39	-1.0	-46.80	344.84	4.84	-41.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007649005	0	40	-1.0	-50.62	338.07	2.43	-48.19
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649006	0	36	-1.0	-47.38	327.06	4.44	-42.94
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007649007	0	36	-1.0	-49.43	316.87	4.78	-44.65
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007649008	0	38	-1.0	-47.59	333.61	5.36	-42.23
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649009	0	38	-1.0	-44.04	325.37	6.14	-37.90
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649010	0	38	-1.0	-44.26	327.31	6.07	-38.19
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007649011	0	38	-1.0	-45.08	332.51	6.13	-38.95
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649012	0	41	-1.0	-52.04	323.18	6.18	-45.86
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007649013	0	44	-1.0	-51.99	352.30	1.59	-50.40
CCOC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649014	0	39	-1.0	-50.17	329.44	4.84	-45.33
COCCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300007649015	0	39	-1.0	-51.15	336.02	2.16	-48.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007649016	0	39	-1.0	-50.61	340.63	5.06	-45.55
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300007649017	0	59	-1.0	-50.43	465.39	9.12	-41.31
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007649018	0	40	-1.0	-51.60	351.92	6.78	-44.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007649019	0	37	-1.0	-52.97	317.45	4.89	-48.08
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007649020	0	35	-1.0	-51.24	324.12	5.92	-45.32
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007649021	0	35	-1.0	-50.34	319.10	5.90	-44.44
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007649022	0	39	-1.0	-59.79	343.18	2.48	-57.31
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649023	0	35	-1.0	-47.90	318.97	5.80	-42.10
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649024	0	35	-1.0	-46.52	306.55	5.61	-40.91
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649025	0	39	-1.0	-52.15	325.12	4.78	-47.37
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300007649026	0	36	-1.0	-45.77	328.00	4.58	-41.19
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007649027	0	40	-1.0	-50.07	347.66	4.36	-45.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007649028	0	35	-1.0	-53.32	320.72	3.65	-49.67
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007649029	0	35	-1.0	-50.92	315.34	3.40	-47.52
CC1(C)CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300007649030	0	43	-1.0	-51.05	354.14	5.81	-45.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007649031	0	35	-1.0	-57.17	314.17	3.67	-53.50
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649032	0	43	-1.0	-61.89	356.36	3.56	-58.33
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649033	0	44	-1.0	-55.05	379.93	3.74	-51.31
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649034	0	36	-1.0	-55.59	305.91	5.27	-50.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C1	REAL300007649035	0	40	-1.0	-49.51	357.04	1.39	-48.12
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649036	0	46	-1.0	-52.15	395.42	2.31	-49.84
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649037	0	43	-1.0	-69.27	361.00	4.63	-64.64
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300007649038	0	43	-1.0	-48.62	378.50	2.28	-46.34
CCC1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649039	0	41	-1.0	-51.45	345.27	6.78	-44.67
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007649040	0	35	-1.0	-49.74	314.11	5.21	-44.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007649041	0	47	-1.0	-51.26	391.84	5.05	-46.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007649042	0	44	-1.0	-63.87	367.92	3.99	-59.88
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649043	0	41	-1.0	-59.90	358.95	2.98	-56.92
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649044	0	42	-1.0	-59.58	362.93	2.00	-57.58
CC1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300007649045	0	41	-1.0	-52.34	341.25	6.52	-45.82
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Br	REAL300007649046	0	39	-1.0	-45.89	349.85	5.51	-40.38
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007649047	0	46	-1.0	-48.50	386.29	7.67	-40.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007649048	0	36	-1.0	-49.06	327.21	5.23	-43.83
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649049	0	39	-1.0	-51.99	349.12	5.18	-46.81
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOC(C)(C)C2)C1	REAL300007649050	0	41	-1.0	-45.81	322.40	2.74	-43.07
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2S1	REAL300007649051	0	46	-1.0	-48.02	391.08	6.56	-41.46
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649052	0	39	-1.0	-49.82	340.19	5.61	-44.21
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300007649053	0	44	-1.0	-50.11	369.77	6.13	-43.98
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649054	0	39	-1.0	-57.21	342.91	-0.67	-57.88
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007649055	0	38	-1.0	-49.27	333.05	5.63	-43.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007649056	0	35	-1.0	-46.95	333.74	6.56	-40.39
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007649057	0	38	-1.0	-53.31	343.32	7.44	-45.87
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300007649058	0	35	-1.0	-49.66	325.79	6.24	-43.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007649059	0	38	-1.0	-50.49	329.98	7.14	-43.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007649060	0	38	-1.0	-48.38	337.25	6.30	-42.08
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007649061	0	43	-1.0	-53.04	360.21	5.94	-47.10
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300007649062	0	46	-1.0	-48.57	388.16	8.01	-40.56
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649063	0	45	-1.0	-55.00	383.78	6.07	-48.93
CC1(C(=O)[O-])CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007649064	0	43	-1.0	-56.69	379.05	1.65	-55.04
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007649065	0	41	-1.0	-50.72	343.36	7.46	-43.26
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1N(C)C	REAL300007649066	0	43	-1.0	-47.77	352.70	5.27	-42.50
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007649067	0	38	-1.0	-52.09	340.49	6.53	-45.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007649068	0	37	-1.0	-55.05	312.27	1.53	-53.52
CC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007649069	0	45	-1.0	-49.40	363.80	5.06	-44.34
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007649070	0	39	-1.0	-48.64	330.25	4.91	-43.73
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300007649071	0	41	-1.0	-57.73	363.55	2.82	-54.91
CSC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007649072	0	36	-1.0	-45.92	333.29	6.09	-39.83
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649073	0	44	-1.0	-47.48	347.18	4.85	-42.63
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007649074	0	40	-1.0	-48.04	348.39	3.11	-44.93
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C12	REAL300007649075	0	39	-1.0	-51.02	340.29	2.28	-48.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300007649076	0	43	-1.0	-48.46	375.63	4.40	-44.06
CN1N=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CN=C21	REAL300007649077	0	37	-1.0	-51.66	320.62	3.66	-48.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300007649078	0	38	-1.0	-46.55	345.28	7.50	-39.05
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(CC)=C1	REAL300007649079	0	50	-1.0	-46.50	381.38	9.09	-37.41
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007649080	0	39	-1.0	-51.80	323.87	4.66	-47.14
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007649081	0	38	-1.0	-46.25	344.87	2.61	-43.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007649082	0	41	-1.0	-56.34	345.11	8.53	-47.81
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300007649083	0	39	-1.0	-49.90	319.45	4.38	-45.52
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C)CCCCC2)C1	REAL300007649084	0	44	-1.0	-53.21	326.52	6.10	-47.11
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007649085	0	41	-1.0	-48.76	338.25	6.05	-42.71
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649086	0	50	0.0	-81.35	394.36	5.75	-75.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007649087	0	40	-1.0	-48.76	348.49	5.86	-42.90
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649088	0	39	-1.0	-46.14	348.08	4.75	-41.39
CC1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300007649089	0	38	-1.0	-54.56	329.56	6.02	-48.54
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649090	0	44	0.0	-72.16	354.63	6.43	-65.73
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007649091	0	32	-1.0	-43.57	309.86	4.74	-38.83
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007649092	0	45	-1.0	-51.99	367.37	7.92	-44.07
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=NO1	REAL300007649093	0	43	-1.0	-51.70	360.50	5.35	-46.35
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007649094	0	41	-1.0	-58.57	340.22	1.76	-56.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007649095	0	35	-1.0	-46.61	314.76	5.08	-41.53
CC1=C(CCS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC=N1	REAL300007649096	0	37	-1.0	-54.29	326.11	3.84	-50.45
CC1(C(=O)[O-])CCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300007649097	0	42	-1.0	-50.80	328.25	5.99	-44.81
COC1=CC=C2C=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)CCC2=C1	REAL300007649098	0	44	-1.0	-49.52	362.97	6.28	-43.24
CC1(C(=O)[O-])CCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007649099	0	45	-1.0	-50.17	336.04	6.65	-43.52
CC(C)(CCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)S(C)(=O)=O	REAL300007649100	0	43	-1.0	-62.74	352.30	1.70	-61.04
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007649101	0	41	-1.0	-52.03	329.72	5.75	-46.28
CC1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300007649102	0	39	-1.0	-48.55	329.00	6.76	-41.79
CCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007649103	0	40	-1.0	-52.78	340.49	6.46	-46.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300007649104	0	32	-1.0	-45.66	293.00	5.04	-40.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300007649105	0	32	-1.0	-45.65	297.56	5.15	-40.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007649106	0	34	-1.0	-46.40	304.49	5.19	-41.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300007649107	0	38	-1.0	-48.92	324.03	6.90	-42.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300007649108	0	34	-1.0	-56.16	305.00	5.23	-50.93
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649109	0	37	-1.0	-45.27	316.44	5.76	-39.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300007649110	0	34	-1.0	-63.69	295.07	6.26	-57.43
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649111	0	39	-1.0	-49.05	342.97	5.93	-43.12
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649112	0	39	-1.0	-48.38	327.63	4.74	-43.64
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300007649113	0	44	-1.0	-47.90	333.14	7.01	-40.89
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300007649114	0	41	-1.0	-47.72	323.87	6.62	-41.10
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649115	0	47	-1.0	-46.09	364.45	7.38	-38.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300007649116	0	35	-1.0	-48.42	317.15	5.62	-42.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300007649117	0	35	-1.0	-52.95	300.28	5.73	-47.22
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300007649118	0	32	-1.0	-47.51	294.82	5.13	-42.38
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649119	0	37	-1.0	-48.31	319.02	5.01	-43.30
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007649120	0	38	-1.0	-54.58	333.60	5.36	-49.22
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649121	0	44	-1.0	-47.62	353.45	6.87	-40.75
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649122	0	41	-1.0	-47.66	336.50	6.45	-41.21
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649123	0	43	-1.0	-52.56	371.87	2.52	-50.04
CCCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649124	0	41	-1.0	-47.52	340.66	6.74	-40.78
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Br	REAL300007649125	0	36	-1.0	-46.32	327.99	4.58	-41.74
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300007649126	0	35	-1.0	-46.28	318.08	5.78	-40.50
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)=C1	REAL300007649127	0	46	-1.0	-48.29	389.19	8.09	-40.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007649128	0	36	-1.0	-44.95	322.27	4.31	-40.64
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1C	REAL300007649129	0	47	-1.0	-47.51	352.75	7.69	-39.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007649130	0	41	-1.0	-47.27	340.91	4.55	-42.72
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649131	0	48	-1.0	-50.13	378.42	6.81	-43.32
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007649132	0	37	-1.0	-53.91	322.81	5.79	-48.12
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649133	0	36	-1.0	-48.95	323.53	5.10	-43.85
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649134	0	50	-1.0	-47.23	378.67	8.28	-38.95
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300007649135	0	35	-1.0	-45.61	315.02	5.52	-40.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007649136	0	42	-1.0	-47.79	340.80	7.10	-40.69
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649137	0	40	-1.0	-52.54	330.14	3.72	-48.82
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300007649138	0	40	-1.0	-48.39	336.82	3.82	-44.57
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300007649139	0	39	-1.0	-49.16	321.82	6.43	-42.73
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300007649140	0	40	-1.0	-49.14	333.55	6.98	-42.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300007649141	0	37	-1.0	-49.07	312.19	4.37	-44.70
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649142	0	47	-1.0	-47.32	379.72	8.03	-39.29
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OCC	REAL300007649143	0	46	-1.0	-48.02	380.52	5.66	-42.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300007649144	0	37	-1.0	-53.52	330.45	-0.52	-54.04
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300007649145	0	40	-1.0	-53.52	337.95	6.25	-47.27
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300007649146	0	40	-1.0	-55.27	332.13	6.24	-49.03
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2N=C1	REAL300007649147	0	40	-1.0	-54.53	333.87	6.20	-48.33
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007649148	0	38	-1.0	-61.94	326.34	5.71	-56.23
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649149	0	36	-1.0	-51.41	317.44	4.96	-46.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C1	REAL300007649150	0	37	-1.0	-59.28	330.97	-0.48	-59.76
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300007649151	0	44	-1.0	-52.94	384.56	2.34	-50.60
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649152	0	40	-1.0	-50.43	343.81	6.12	-44.31
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007649153	0	41	-1.0	-48.43	335.48	5.89	-42.54
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CN=C12	REAL300007649154	0	40	-1.0	-49.89	329.06	5.58	-44.31
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300007649155	0	40	-1.0	-51.44	334.12	7.48	-43.96
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649156	0	43	-1.0	-57.90	372.38	2.56	-55.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300007649157	0	44	-1.0	-53.14	364.02	3.96	-49.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300007649158	0	38	-1.0	-60.51	337.48	2.08	-58.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300007649159	0	42	-1.0	-47.78	339.30	8.01	-39.77
CC1CC(C)CN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300007649160	0	43	-1.0	-46.45	336.54	4.89	-41.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007649161	0	38	-1.0	-53.43	311.43	6.54	-46.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300007649162	0	42	-1.0	-49.54	353.23	7.98	-41.56
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649163	0	35	-1.0	-44.60	294.65	5.13	-39.47
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C12	REAL300007649164	0	46	-1.0	-48.71	366.71	6.50	-42.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300007649165	0	33	-1.0	-50.59	298.75	3.00	-47.59
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649166	0	36	-1.0	-49.04	318.97	5.00	-44.04
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649167	0	47	-1.0	-47.71	366.70	7.31	-40.40
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007649168	0	35	-1.0	-47.65	313.55	5.73	-41.92
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649169	0	42	-1.0	-47.32	345.54	5.37	-41.95
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007649170	0	35	-1.0	-51.23	319.55	5.82	-45.41
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300007649171	0	33	-1.0	-59.27	290.91	3.38	-55.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300007649172	0	37	-1.0	-48.49	334.68	7.29	-41.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007649173	0	37	-1.0	-55.83	311.76	5.52	-50.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300007649174	0	43	-1.0	-51.07	382.74	7.94	-43.13
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649175	0	38	-1.0	-50.66	328.92	5.11	-45.55
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300007649176	0	36	-1.0	-46.76	313.80	3.99	-42.77
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300007649177	0	35	-1.0	-48.29	304.81	5.32	-42.97
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300007649178	0	43	-1.0	-47.12	382.65	7.91	-39.21
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)C=C1	REAL300007649179	0	47	-1.0	-48.78	395.42	6.68	-42.10
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(C)C)=C1	REAL300007649180	0	59	-1.0	-46.99	434.76	10.49	-36.50
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007649181	0	48	-1.0	-49.48	381.25	7.54	-41.94
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007649182	0	35	-1.0	-51.97	334.30	6.31	-45.66
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007649183	0	42	-1.0	-50.14	341.61	5.99	-44.15
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649184	0	37	-1.0	-44.37	314.52	5.79	-38.58
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649185	0	37	-1.0	-51.04	311.31	5.60	-45.44
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649186	0	40	-1.0	-53.73	339.02	7.12	-46.61
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649187	0	44	-1.0	-47.50	357.47	7.21	-40.29
COCCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649188	0	42	-1.0	-48.13	352.83	5.03	-43.10
COCCN(CCOC)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649189	0	44	-1.0	-49.59	351.59	2.88	-46.71
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649190	0	35	-1.0	-44.42	304.98	5.58	-38.84
COC1=C(C)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300007649191	0	42	-1.0	-47.39	351.67	5.50	-41.89
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649192	0	48	-1.0	-47.01	388.18	6.85	-40.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007649193	0	46	-1.0	-47.41	373.55	6.80	-40.61
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649194	0	45	-1.0	-47.08	369.22	6.24	-40.84
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649195	0	42	-1.0	-47.17	349.11	5.55	-41.62
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007649196	0	36	-1.0	-46.35	323.60	4.47	-41.88
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007649197	0	36	-1.0	-47.50	333.36	4.74	-42.76
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300007649198	0	39	-1.0	-48.83	328.16	4.64	-44.19
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007649199	0	45	-1.0	-46.90	367.44	6.20	-40.70
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300007649200	0	39	-1.0	-48.15	311.99	4.27	-43.88
COCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649201	0	43	-1.0	-48.94	361.24	4.02	-44.92
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300007649202	0	35	-1.0	-51.81	307.70	5.37	-46.44
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649203	0	35	-1.0	-43.99	307.61	5.74	-38.25
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300007649204	0	40	-1.0	-54.42	317.29	7.15	-47.27
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649205	0	41	-1.0	-58.77	345.48	2.58	-56.19
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300007649206	0	44	-1.0	-51.16	387.09	2.46	-48.70
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649207	0	40	-1.0	-52.83	352.88	0.69	-52.14
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649208	0	40	-1.0	-56.29	339.39	2.86	-53.43
CC1=NC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300007649209	0	34	-1.0	-46.48	306.07	3.09	-43.39
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300007649210	0	35	-1.0	-50.64	309.09	5.75	-44.89
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1F	REAL300007649211	0	36	-1.0	-46.19	313.80	3.99	-42.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007649212	0	42	-1.0	-53.95	350.97	7.98	-45.97
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007649213	0	35	-1.0	-50.69	336.29	6.32	-44.37
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)S2)=CS1	REAL300007649214	0	38	-1.0	-49.36	356.75	5.10	-44.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007649215	0	52	-1.0	-47.16	410.84	8.13	-39.03
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649216	0	40	-1.0	-59.66	333.70	6.20	-53.46
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1C	REAL300007649217	0	40	-1.0	-50.95	342.03	2.28	-48.67
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300007649218	0	42	-1.0	-47.38	331.81	5.26	-42.12
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007649219	0	43	-1.0	-50.03	360.50	8.64	-41.39
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300007649220	0	42	-1.0	-48.57	334.29	5.10	-43.47
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007649221	0	40	-1.0	-49.74	326.31	5.91	-43.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007649222	0	37	-1.0	-53.70	306.74	4.77	-48.93
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)=C2	REAL300007649223	0	45	-1.0	-51.20	378.40	8.43	-42.77
CCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007649224	0	37	-1.0	-46.64	328.92	5.29	-41.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007649225	0	39	-1.0	-47.70	347.19	5.21	-42.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007649226	0	46	-1.0	-48.59	387.52	7.79	-40.80
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649227	0	40	-1.0	-57.22	341.17	5.88	-51.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007649228	0	42	-1.0	-48.90	362.24	6.12	-42.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300007649229	0	35	-1.0	-58.05	305.08	3.76	-54.29
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649230	0	54	-1.0	-47.49	415.55	7.50	-39.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300007649231	0	40	-1.0	-56.25	353.56	1.14	-55.11
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300007649232	0	35	-1.0	-51.67	309.23	5.38	-46.29
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007649233	0	45	-1.0	-49.76	363.47	6.93	-42.83
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649234	0	42	-1.0	-49.97	345.14	6.06	-43.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007649235	0	37	-1.0	-56.58	327.33	4.75	-51.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007649236	0	39	-1.0	-51.74	339.61	5.71	-46.03
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649237	0	46	-1.0	-48.99	383.10	4.98	-44.01
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649238	0	48	-1.0	-47.06	392.11	7.11	-39.95
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007649239	0	42	-1.0	-50.35	328.42	7.04	-43.31
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007649240	0	38	-1.0	-53.87	327.08	6.42	-47.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007649241	0	36	-1.0	-44.81	332.66	5.98	-38.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300007649242	0	37	-1.0	-49.25	313.27	3.84	-45.41
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007649243	0	40	-1.0	-56.02	342.28	5.87	-50.15
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007649244	0	38	-1.0	-57.63	315.36	0.88	-56.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007649245	0	37	-1.0	-49.94	324.52	4.70	-45.24
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300007649246	0	42	-1.0	-47.82	333.83	5.20	-42.62
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649247	0	40	-1.0	-57.89	353.39	0.73	-57.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007649248	0	36	-1.0	-52.25	310.42	4.69	-47.56
CSC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649249	0	36	-1.0	-47.21	316.47	5.54	-41.67
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007649250	0	38	-1.0	-53.36	341.40	6.33	-47.03
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649251	0	43	-1.0	-49.86	348.62	6.37	-43.49
CCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N=C1C	REAL300007649252	0	38	-1.0	-51.59	323.63	4.42	-47.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007649253	0	38	-1.0	-50.96	314.58	4.15	-46.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300007649254	0	37	-1.0	-49.60	307.09	4.69	-44.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300007649255	0	44	-1.0	-51.62	372.76	6.55	-45.07
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007649256	0	38	-1.0	-46.50	333.01	6.12	-40.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007649257	0	38	-1.0	-47.49	351.42	5.37	-42.12
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007649258	0	41	-1.0	-51.52	341.59	6.17	-45.35
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C12	REAL300007649259	0	40	-1.0	-50.62	345.37	4.30	-46.32
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649260	0	39	-1.0	-52.67	347.73	5.19	-47.48
COCC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649261	0	39	-1.0	-48.93	333.16	4.33	-44.60
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2O1	REAL300007649262	0	43	-1.0	-54.49	354.11	5.83	-48.66
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007649263	0	35	-1.0	-50.66	315.86	5.79	-44.87
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300007649264	0	44	-1.0	-59.31	375.19	3.10	-56.21
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007649265	0	39	-1.0	-51.06	348.38	5.13	-45.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007649266	0	40	-1.0	-52.15	342.42	5.56	-46.59
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007649267	0	35	-1.0	-54.07	327.65	6.18	-47.89
CC1CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300007649268	0	40	-1.0	-49.14	333.11	5.13	-44.01
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649269	0	44	-1.0	-48.15	325.88	7.50	-40.65
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649270	0	44	-1.0	-53.85	359.08	3.21	-50.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300007649271	0	43	-1.0	-49.73	384.50	7.92	-41.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007649272	0	38	-1.0	-52.93	344.52	5.31	-47.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300007649273	0	38	-1.0	-47.20	361.74	5.83	-41.37
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)=CO1	REAL300007649274	0	41	-1.0	-54.36	353.64	3.62	-50.74
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007649275	0	35	-1.0	-54.63	307.46	3.13	-51.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007649276	0	35	-1.0	-51.80	307.85	5.01	-46.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007649277	0	35	-1.0	-47.64	302.32	3.18	-44.46
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300007649278	0	35	-1.0	-46.73	303.45	1.21	-45.52
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007649279	0	40	-1.0	-48.90	332.72	5.20	-43.70
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007649280	0	39	-1.0	-47.99	324.00	6.53	-41.46
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=N2)C=C1	REAL300007649281	0	42	-1.0	-52.53	358.23	6.33	-46.20
CC1CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007649282	0	40	-1.0	-46.19	351.05	5.67	-40.52
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007649283	0	37	-1.0	-46.00	322.30	5.80	-40.20
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300007649284	0	43	-1.0	-56.34	364.98	5.32	-51.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007649285	0	34	-1.0	-50.37	308.26	4.01	-46.36
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649286	0	40	-1.0	-49.63	328.77	4.94	-44.69
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C=C1	REAL300007649287	0	41	-1.0	-48.60	345.38	7.55	-41.05
COC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC=C1	REAL300007649288	0	33	-1.0	-54.92	297.07	3.60	-51.32
CN(C)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649289	0	40	-1.0	-49.02	330.60	5.04	-43.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007649290	0	37	-1.0	-56.57	310.15	4.48	-52.09
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007649291	0	37	-1.0	-57.90	326.19	4.65	-53.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007649292	0	37	-1.0	-52.72	312.08	4.37	-48.35
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007649293	0	38	-1.0	-47.76	340.43	6.63	-41.13
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300007649294	0	44	-1.0	-49.66	352.55	5.17	-44.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007649295	0	34	-1.0	-45.14	311.76	3.84	-41.30
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649296	0	40	-1.0	-54.05	331.22	5.08	-48.97
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649297	0	40	-1.0	-48.35	331.44	6.24	-42.11
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007649298	0	40	-1.0	-55.59	331.65	7.80	-47.79
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007649299	0	40	-1.0	-50.69	328.06	6.21	-44.48
COC1=CC=C(CCS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649300	0	42	-1.0	-52.11	353.38	5.42	-46.69
COC1=CN=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649301	0	35	-1.0	-51.03	301.35	2.04	-48.99
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300007649302	0	41	-1.0	-46.55	350.31	6.19	-40.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007649303	0	39	-1.0	-47.99	326.47	6.65	-41.34
COC1=CC(OC)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649304	0	40	-1.0	-50.38	337.59	3.21	-47.17
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007649305	0	44	-1.0	-50.36	345.10	6.27	-44.09
CC1=CC=C(CCS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649306	0	41	-1.0	-50.89	345.75	6.78	-44.11
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)OCO2	REAL300007649307	0	38	-1.0	-47.12	308.50	3.64	-43.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007649308	0	35	-1.0	-53.01	301.67	4.85	-48.16
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300007649309	0	36	-1.0	-45.77	323.61	4.47	-41.30
CN1C=NC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300007649310	0	38	-1.0	-56.87	326.87	5.96	-50.91
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007649311	0	40	-1.0	-58.18	322.23	6.08	-52.10
CC1=NC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2O1	REAL300007649312	0	37	-1.0	-50.07	319.93	2.17	-47.90
CCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1CC	REAL300007649313	0	44	-1.0	-47.60	355.13	7.18	-40.42
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649314	0	40	-1.0	-45.32	330.63	6.62	-38.70
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649315	0	42	-1.0	-49.82	336.78	6.17	-43.65
CC1=C(C)SC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649316	0	35	-1.0	-47.84	311.74	5.03	-42.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300007649317	0	33	-1.0	-45.95	295.30	2.53	-43.42
CCC1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300007649318	0	34	-1.0	-49.85	306.97	3.17	-46.68
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300007649319	0	39	-1.0	-49.18	325.60	4.24	-44.94
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300007649320	0	35	-1.0	-46.78	305.50	5.14	-41.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007649321	0	38	-1.0	-53.34	315.84	6.09	-47.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007649322	0	35	-1.0	-49.85	302.34	3.25	-46.60
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C)=C1F	REAL300007649323	0	38	-1.0	-46.28	325.61	5.94	-40.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007649324	0	39	-1.0	-54.22	334.08	4.37	-49.85
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007649325	0	45	-1.0	-53.77	379.84	6.15	-47.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C1	REAL300007649326	0	36	-1.0	-56.08	309.05	4.39	-51.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007649327	0	34	-1.0	-58.12	304.75	4.24	-53.88
CC1=NC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CS1	REAL300007649328	0	34	-1.0	-52.62	309.41	2.99	-49.63
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007649329	0	35	-1.0	-50.93	319.11	5.86	-45.07
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300007649330	0	35	-1.0	-46.31	314.05	5.70	-40.61
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007649331	0	38	-1.0	-52.51	326.70	5.58	-46.93
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)=N1	REAL300007649332	0	41	-1.0	-48.42	363.48	6.02	-42.40
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007649333	0	40	-1.0	-51.33	325.48	5.83	-45.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007649334	0	39	-1.0	-54.92	342.35	2.42	-52.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007649335	0	41	-1.0	-51.98	335.85	4.94	-47.04
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007649336	0	35	-1.0	-50.45	322.65	5.83	-44.62
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649337	0	57	-1.0	-47.02	456.61	9.45	-37.57
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649338	0	45	-1.0	-47.56	368.13	6.28	-41.28
COC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CCCC1	REAL300007649339	0	45	-1.0	-51.00	351.94	4.99	-46.01
COC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300007649340	0	48	-1.0	-51.59	374.04	5.45	-46.14
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300007649341	0	46	-1.0	-47.73	395.56	7.97	-39.76
CCOC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CC1	REAL300007649342	0	42	-1.0	-48.70	342.10	4.94	-43.76
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300007649343	0	51	-1.0	-46.47	409.54	7.66	-38.81
CCC1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1CC1CC1	REAL300007649344	0	45	-1.0	-54.63	370.88	6.37	-48.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007649345	0	35	-1.0	-48.06	317.05	4.06	-44.00
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007649346	0	40	-1.0	-50.94	337.08	6.62	-44.32
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649347	0	39	-1.0	-48.91	323.36	4.46	-44.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007649348	0	45	-1.0	-46.61	377.54	6.87	-39.74
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649349	0	35	-1.0	-47.44	317.32	3.24	-44.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300007649350	0	43	-1.0	-46.64	378.68	8.71	-37.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007649351	0	42	-1.0	-54.40	336.47	7.66	-46.74
CCC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C)C=C1OC	REAL300007649352	0	45	-1.0	-46.09	359.39	5.85	-40.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300007649353	0	38	-1.0	-45.48	347.47	6.40	-39.08
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300007649354	0	34	-1.0	-60.30	303.85	3.57	-56.73
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007649355	0	41	-1.0	-51.79	329.24	7.71	-44.08
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300007649356	0	41	-1.0	-46.84	345.43	3.08	-43.76
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649357	0	36	-1.0	-50.79	310.03	4.66	-46.13
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300007649358	0	48	-1.0	-46.74	388.05	6.86	-39.88
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300007649359	0	44	-1.0	-47.82	356.31	6.87	-40.95
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007649360	0	51	-1.0	-51.08	404.23	9.15	-41.93
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649361	0	42	-1.0	-46.84	337.24	4.59	-42.25
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007649362	0	44	-1.0	-48.07	350.49	5.02	-43.05
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007649363	0	42	-1.0	-47.85	345.99	4.97	-42.88
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649364	0	35	-1.0	-47.66	308.12	3.33	-44.33
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649365	0	39	-1.0	-53.22	337.40	4.74	-48.48
C=CCCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649366	0	42	-1.0	-47.41	353.47	7.30	-40.11
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649367	0	38	-1.0	-51.79	316.33	3.37	-48.42
CCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300007649368	0	54	-1.0	-47.23	431.55	8.43	-38.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007649369	0	36	-1.0	-48.34	327.68	6.29	-42.05
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007649370	0	54	-1.0	-47.43	422.10	8.33	-39.10
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1CC	REAL300007649371	0	48	-1.0	-47.30	392.63	7.13	-40.17
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649372	0	38	-1.0	-45.33	319.19	6.47	-38.86
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649373	0	38	-1.0	-50.41	338.48	6.58	-43.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007649374	0	36	-1.0	-50.35	324.73	6.23	-44.12
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649375	0	41	-1.0	-53.01	331.57	7.21	-45.80
COC1=NC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649376	0	35	-1.0	-49.22	299.99	1.87	-47.35
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649377	0	48	-1.0	-51.35	392.57	7.37	-43.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007649378	0	37	-1.0	-53.62	306.68	4.69	-48.93
CC1=CSC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649379	0	35	-1.0	-45.45	297.71	5.19	-40.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007649380	0	39	-1.0	-50.46	328.48	4.30	-46.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007649381	0	39	-1.0	-46.30	325.76	4.48	-41.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007649382	0	42	-1.0	-47.37	343.04	5.15	-42.22
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C1	REAL300007649383	0	43	-1.0	-50.12	353.12	2.63	-47.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007649384	0	38	-1.0	-50.77	343.79	5.50	-45.27
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007649385	0	39	-1.0	-52.68	318.28	4.70	-47.98
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300007649386	0	57	-1.0	-46.32	452.54	9.22	-37.10
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300007649387	0	48	-1.0	-45.72	372.63	6.22	-39.50
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649388	0	42	-1.0	-48.97	345.35	5.98	-42.99
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300007649389	0	55	-1.0	-48.38	443.52	7.08	-41.30
CC1CC2=CC=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2O1	REAL300007649390	0	40	-1.0	-56.99	330.82	5.23	-51.76
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300007649391	0	40	-1.0	-47.37	347.25	4.28	-43.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007649392	0	38	-1.0	-49.99	331.76	5.26	-44.73
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649393	0	37	-1.0	-59.24	317.94	4.16	-55.08
CC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007649394	0	41	-1.0	-48.08	322.98	4.53	-43.55
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C1	REAL300007649395	0	36	-1.0	-49.36	329.79	5.05	-44.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007649396	0	33	-1.0	-44.31	292.97	3.41	-40.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007649397	0	35	-1.0	-49.76	316.94	6.05	-43.71
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649398	0	39	-1.0	-46.34	328.75	4.23	-42.11
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300007649399	0	41	-1.0	-50.39	328.28	6.68	-43.71
COC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300007649400	0	40	-1.0	-52.50	333.03	4.44	-48.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300007649401	0	35	-1.0	-49.99	302.87	4.70	-45.29
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007649402	0	45	-1.0	-49.20	358.41	5.16	-44.04
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649403	0	44	-1.0	-50.74	357.59	5.17	-45.57
CCCCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=N1	REAL300007649404	0	44	-1.0	-49.44	359.52	5.15	-44.29
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007649405	0	39	-1.0	-48.82	320.90	4.07	-44.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007649406	0	36	-1.0	-50.84	315.51	4.10	-46.74
CN1N=NC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C21	REAL300007649407	0	37	-1.0	-56.06	320.32	3.11	-52.95
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Br	REAL300007649408	0	38	-1.0	-47.36	323.58	6.22	-41.14
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC(C)(C)C2)C1	REAL300007649409	0	43	-1.0	-46.20	326.72	4.86	-41.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007649410	0	38	-1.0	-47.03	347.27	5.71	-41.32
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300007649411	0	42	-1.0	-49.31	341.84	4.69	-44.62
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649412	0	50	-1.0	-46.55	384.75	8.15	-38.40
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300007649413	0	38	-1.0	-52.19	347.99	6.44	-45.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007649414	0	42	-1.0	-51.65	353.01	5.23	-46.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007649415	0	36	-1.0	-49.88	313.50	5.54	-44.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007649416	0	43	-1.0	-46.08	368.13	7.35	-38.73
COC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007649417	0	41	-1.0	-58.79	341.71	5.73	-53.06
CCCC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649418	0	41	-1.0	-47.57	342.48	6.82	-40.75
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649419	0	39	-1.0	-47.79	324.11	4.09	-43.70
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649420	0	41	-1.0	-47.41	326.86	4.34	-43.07
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300007649421	0	41	-1.0	-51.09	343.55	4.31	-46.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007649422	0	39	-1.0	-49.00	319.52	3.42	-45.58
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007649423	0	37	-1.0	-45.42	329.51	4.42	-41.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007649424	0	35	-1.0	-44.43	321.41	5.59	-38.84
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649425	0	43	-1.0	-56.99	362.67	6.65	-50.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007649426	0	43	-1.0	-49.11	344.10	7.51	-41.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007649427	0	38	-1.0	-47.71	341.02	5.63	-42.08
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007649428	0	38	-1.0	-46.75	320.03	5.04	-41.71
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007649429	0	39	-1.0	-55.45	331.67	2.97	-52.48
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649430	0	42	-1.0	-47.07	372.46	5.29	-41.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007649431	0	32	-1.0	-54.74	299.71	4.82	-49.92
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007649432	0	39	-1.0	-51.74	326.00	6.67	-45.07
COC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=CS1	REAL300007649433	0	33	-1.0	-52.88	296.08	3.09	-49.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007649434	0	42	-1.0	-48.32	341.71	5.19	-43.13
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649435	0	41	-1.0	-46.85	337.93	4.37	-42.48
CN(C1CCCCCC1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649436	0	46	-1.0	-48.55	346.72	5.51	-43.04
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007649437	0	46	-1.0	-49.33	365.00	3.30	-46.03
CC(F)(F)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1	REAL300007649438	0	38	-1.0	-52.86	329.98	6.09	-46.77
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007649439	0	36	-1.0	-48.99	317.86	4.18	-44.81
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007649440	0	47	-1.0	-48.96	374.21	7.20	-41.76
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300007649441	0	33	-1.0	-47.12	302.37	3.05	-44.07
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300007649442	0	43	-1.0	-54.32	344.86	6.73	-47.59
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007649443	0	40	-1.0	-49.41	334.75	4.66	-44.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007649444	0	35	-1.0	-50.80	308.94	3.24	-47.56
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649445	0	42	-1.0	-48.95	355.01	5.30	-43.65
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649446	0	42	-1.0	-49.20	355.52	5.74	-43.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007649447	0	45	-1.0	-49.70	364.98	5.57	-44.13
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007649448	0	43	-1.0	-48.31	367.76	7.41	-40.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300007649449	0	35	-1.0	-53.46	292.78	5.17	-48.29
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C)=C1Br	REAL300007649450	0	38	-1.0	-46.38	336.28	6.34	-40.04
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007649451	0	41	-1.0	-50.62	331.12	7.18	-43.44
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300007649452	0	42	-1.0	-50.82	347.87	5.64	-45.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007649453	0	36	-1.0	-51.71	315.23	5.82	-45.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300007649454	0	36	-1.0	-48.34	332.25	6.38	-41.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300007649455	0	36	-1.0	-51.14	330.11	6.38	-44.76
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007649456	0	37	-1.0	-59.49	322.92	-1.52	-61.01
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007649457	0	35	-1.0	-51.14	302.80	4.95	-46.19
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007649458	0	38	-1.0	-50.65	308.07	4.96	-45.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007649459	0	34	-1.0	-51.20	309.03	4.03	-47.17
CC1(C(=O)[O-])CCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300007649460	0	40	-1.0	-50.09	333.44	1.82	-48.27
CC1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007649461	0	41	-1.0	-53.12	355.03	3.63	-49.49
CC1(C(=O)[O-])CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007649462	0	49	-1.0	-50.83	356.10	7.48	-43.35
CC1(C)COC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300007649463	0	42	-1.0	-57.52	337.10	3.84	-53.68
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007649464	0	35	-1.0	-59.69	309.19	0.32	-59.37
CC(C)(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C(C)(F)F	REAL300007649465	0	40	-1.0	-49.45	317.58	5.08	-44.37
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCCS(C)(=O)=O)C1	REAL300007649466	0	40	-1.0	-61.19	349.10	1.42	-59.77
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCC(C)(C)CO2)C1	REAL300007649467	0	45	-1.0	-47.06	352.05	4.68	-42.38
CC1(C(=O)[O-])CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300007649468	0	42	-1.0	-50.31	349.60	6.89	-43.42
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007649469	0	36	-1.0	-58.17	327.06	3.63	-54.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007649470	0	42	-1.0	-56.11	358.36	7.45	-48.66
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007649471	0	41	-1.0	-56.84	331.64	2.45	-54.39
CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007649472	0	45	-1.0	-46.04	343.85	6.54	-39.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007649473	0	36	-1.0	-49.87	320.75	5.92	-43.95
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1	REAL300007649474	0	54	-1.0	-47.82	407.83	8.80	-39.02
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649475	0	43	-1.0	-52.37	353.39	5.63	-46.74
COC1=CSC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300007649476	0	37	-1.0	-48.99	326.46	3.06	-45.93
CC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007649477	0	44	-1.0	-46.57	338.12	5.08	-41.49
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649478	0	43	-1.0	-53.56	352.13	6.29	-47.27
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007649479	0	36	-1.0	-50.41	326.33	5.45	-44.96
COC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300007649480	0	36	-1.0	-48.57	314.27	4.11	-44.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007649481	0	36	-1.0	-47.65	323.56	4.26	-43.39
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649482	0	38	-1.0	-49.52	320.72	4.52	-45.00
CN1C=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300007649483	0	39	-1.0	-52.78	332.76	6.36	-46.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300007649484	0	41	-1.0	-49.75	355.15	5.01	-44.74
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649485	0	45	-1.0	-51.25	371.22	7.01	-44.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007649486	0	43	-1.0	-47.17	366.77	7.46	-39.71
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649487	0	38	-1.0	-60.96	316.83	6.45	-54.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007649488	0	33	-1.0	-48.41	315.57	3.46	-44.95
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649489	0	43	-1.0	-50.84	361.76	6.24	-44.60
CCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007649490	0	42	-1.0	-48.71	342.43	4.93	-43.78
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300007649491	0	36	-1.0	-55.98	307.02	3.62	-52.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007649492	0	38	-1.0	-46.62	340.72	7.40	-39.22
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300007649493	0	42	-1.0	-47.72	367.20	8.45	-39.27
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007649494	0	31	-1.0	-51.42	305.42	2.62	-48.80
CCC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300007649495	0	38	-1.0	-45.13	337.13	6.49	-38.64
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649496	0	45	-1.0	-47.89	362.71	5.72	-42.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007649497	0	29	-1.0	-45.15	287.11	4.13	-41.02
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649498	0	46	-1.0	-50.89	378.81	4.98	-45.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007649499	0	38	-1.0	-50.72	331.24	7.20	-43.52
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649500	0	40	-1.0	-48.21	329.97	2.34	-45.87
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007649501	0	39	-1.0	-52.45	314.66	6.35	-46.10
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300007649502	0	43	-1.0	-50.01	329.86	4.63	-45.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007649503	0	47	-1.0	-48.57	380.93	4.95	-43.62
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649504	0	35	-1.0	-46.88	316.99	2.36	-44.52
COC1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300007649505	0	38	-1.0	-46.88	325.92	2.02	-44.86
CC(C)CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300007649506	0	41	-1.0	-47.74	339.20	4.70	-43.04
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649507	0	41	-1.0	-49.17	336.82	4.17	-45.00
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007649508	0	42	-1.0	-53.06	333.64	1.84	-51.22
COCC1=CC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=NO1	REAL300007649509	0	38	-1.0	-54.22	332.97	2.50	-51.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007649510	0	37	-1.0	-50.46	334.34	6.75	-43.71
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N=C1	REAL300007649511	0	43	-1.0	-48.02	350.95	5.00	-43.02
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649512	0	38	-1.0	-46.88	319.70	3.73	-43.15
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300007649513	0	39	-1.0	-48.84	323.75	4.81	-44.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007649514	0	39	-1.0	-52.44	331.35	5.51	-46.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300007649515	0	34	-1.0	-51.51	308.62	3.63	-47.88
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300007649516	0	37	-1.0	-50.74	312.38	4.93	-45.81
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=NN1C(C)C	REAL300007649517	0	41	-1.0	-51.96	336.13	4.24	-47.72
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300007649518	0	46	-1.0	-48.55	386.83	8.11	-40.44
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300007649519	0	37	-1.0	-51.83	311.94	4.99	-46.84
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300007649520	0	35	-1.0	-47.32	309.96	4.32	-43.00
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649521	0	40	-1.0	-58.42	335.08	0.40	-58.02
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300007649522	0	39	-1.0	-45.23	300.98	2.37	-42.86
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C#N)CC2)C1	REAL300007649523	0	38	-1.0	-52.91	317.32	4.05	-48.86
COC1=CC=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649524	0	35	-1.0	-51.28	305.41	1.96	-49.32
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(F)F)=C1	REAL300007649525	0	39	-1.0	-53.21	329.74	5.12	-48.09
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N=C1	REAL300007649526	0	35	-1.0	-51.66	303.96	1.98	-49.68
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649527	0	38	-1.0	-47.03	339.10	2.83	-44.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300007649528	0	37	-1.0	-51.45	307.13	4.64	-46.81
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649529	0	38	-1.0	-55.94	322.14	3.67	-52.27
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300007649530	0	40	-1.0	-55.63	329.54	6.05	-49.58
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300007649531	0	36	-1.0	-53.49	309.52	4.50	-48.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300007649532	0	34	-1.0	-50.31	308.16	3.53	-46.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300007649533	0	39	-1.0	-49.67	347.16	5.44	-44.23
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300007649534	0	45	-1.0	-50.40	359.63	6.56	-43.84
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649535	0	34	-1.0	-50.55	306.38	4.58	-45.97
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649536	0	41	-1.0	-47.55	343.27	6.77	-40.78
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007649537	0	26	-1.0	-42.65	274.08	3.81	-38.84
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649538	0	36	-1.0	-48.89	309.97	4.70	-44.19
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649539	0	32	-1.0	-42.64	293.78	5.30	-37.34
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007649540	0	33	-1.0	-46.25	305.64	4.51	-41.74
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649541	0	35	-1.0	-55.29	325.30	1.70	-53.59
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007649542	0	33	-1.0	-43.71	311.11	3.96	-39.75
COC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1OC	REAL300007649543	0	40	-1.0	-48.56	331.28	3.88	-44.68
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649544	0	32	-1.0	-43.40	288.22	5.14	-38.26
CN(C1CCCCC1)S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649545	0	40	-1.0	-44.15	322.21	4.61	-39.54
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649546	0	35	-1.0	-50.68	301.32	3.23	-47.45
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007649547	0	45	-1.0	-47.27	366.47	7.98	-39.29
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007649548	0	35	-1.0	-49.06	309.06	3.34	-45.72
CCC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649549	0	35	-1.0	-47.85	307.49	5.62	-42.23
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007649550	0	29	-1.0	-46.14	274.42	4.61	-41.53
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007649551	0	29	-1.0	-44.20	286.42	4.79	-39.41
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649552	0	34	-1.0	-52.00	291.72	5.93	-46.07
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007649553	0	35	-1.0	-46.47	327.15	6.19	-40.28
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649554	0	39	-1.0	-58.37	346.94	0.78	-57.59
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649555	0	40	-1.0	-48.37	347.22	6.03	-42.34
CC1=CC(F)=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649556	0	32	-1.0	-46.14	292.39	4.92	-41.22
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007649557	0	35	-1.0	-49.79	310.27	4.71	-45.08
COCC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649558	0	36	-1.0	-48.71	319.67	3.91	-44.80
CCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300007649559	0	35	-1.0	-46.33	314.42	1.80	-44.53
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649560	0	38	-1.0	-59.99	349.63	2.40	-57.59
CS(=O)(=O)CCCS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649561	0	34	-1.0	-62.36	313.51	0.22	-62.14
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1C	REAL300007649562	0	39	-1.0	-45.98	318.63	4.60	-41.38
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007649563	0	34	-1.0	-47.41	319.32	4.74	-42.67
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007649564	0	32	-1.0	-49.87	309.57	5.53	-44.34
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007649565	0	34	-1.0	-48.33	306.35	4.57	-43.76
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)CC1	REAL300007649566	0	39	-1.0	-55.46	338.49	-0.16	-55.62
CN(C1CCOCC1)S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649567	0	38	-1.0	-46.91	312.42	2.24	-44.67
CC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007649568	0	38	-1.0	-49.92	334.51	5.35	-44.57
CCN1N=C(C)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1C	REAL300007649569	0	38	-1.0	-46.76	324.34	4.12	-42.64
CC(C)N1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300007649570	0	35	-1.0	-50.42	309.35	3.28	-47.14
CC(C)CN1C=NC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649571	0	38	-1.0	-54.12	329.65	5.43	-48.69
CC(C)N1C=NC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649572	0	35	-1.0	-54.34	310.58	4.57	-49.77
CC(C)C1=NC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CN1	REAL300007649573	0	35	-1.0	-54.17	309.20	2.63	-51.54
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649574	0	41	-1.0	-45.84	320.38	7.03	-38.81
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649575	0	37	-1.0	-60.96	331.00	3.60	-57.36
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1OC	REAL300007649576	0	37	-1.0	-47.44	330.28	3.70	-43.74
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1Br	REAL300007649577	0	32	-1.0	-44.48	304.61	5.37	-39.11
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649578	0	32	-1.0	-46.74	278.01	4.70	-42.04
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007649579	0	35	-1.0	-46.47	314.34	6.65	-39.82
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007649580	0	34	-1.0	-42.91	321.37	6.34	-36.57
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007649581	0	33	-1.0	-49.18	310.04	3.83	-45.35
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007649582	0	36	-1.0	-48.95	325.40	5.75	-43.20
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649583	0	44	-1.0	-46.28	364.18	5.65	-40.63
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007649584	0	32	-1.0	-48.29	298.77	5.11	-43.18
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649585	0	40	-1.0	-49.78	343.63	3.76	-46.02
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007650001	0	32	-1.0	-46.81	304.21	5.62	-41.19
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650002	0	36	-1.0	-46.39	314.82	3.83	-42.56
CC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1F	REAL300007650003	0	38	-1.0	-43.80	313.05	6.24	-37.56
COC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1OC	REAL300007650004	0	37	-1.0	-52.19	318.59	4.06	-48.13
O=C([O-])C1(F)CCN(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300007650005	0	32	-1.0	-48.23	290.68	4.32	-43.91
CN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007650006	0	42	-1.0	-48.36	345.19	4.74	-43.62
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650007	0	41	-1.0	-47.05	342.34	4.72	-42.33
CCCCN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=N1	REAL300007650008	0	41	-1.0	-47.89	347.99	4.76	-43.13
CN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007650009	0	36	-1.0	-48.81	314.44	3.86	-44.95
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007650010	0	33	-1.0	-50.27	303.84	3.77	-46.50
CN1N=NC2=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=CC=C21	REAL300007650011	0	34	-1.0	-55.08	307.12	2.68	-52.40
CC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1Br	REAL300007650012	0	35	-1.0	-42.96	311.97	5.86	-37.10
CC1(C)CCCN(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C1	REAL300007650013	0	40	-1.0	-45.92	319.30	4.57	-41.35
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007650014	0	35	-1.0	-47.53	332.86	5.32	-42.21
CN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300007650015	0	39	-1.0	-48.40	328.61	4.26	-44.14
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650016	0	47	-1.0	-44.39	366.60	7.59	-36.80
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300007650017	0	35	-1.0	-46.26	335.79	6.06	-40.20
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007650018	0	39	-1.0	-46.93	339.35	4.83	-42.10
O=C([O-])C1(F)CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007650019	0	33	-1.0	-46.93	302.12	5.36	-41.57
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007650020	0	40	-1.0	-47.14	358.65	7.06	-40.08
COC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007650021	0	38	-1.0	-59.95	330.56	5.38	-54.57
CCCC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650022	0	38	-1.0	-47.81	328.97	6.39	-41.42
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650023	0	36	-1.0	-47.35	308.88	3.65	-43.70
CC1=CC=CC(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650024	0	35	-1.0	-45.56	288.23	5.61	-39.95
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650025	0	38	-1.0	-45.28	306.34	3.73	-41.55
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300007650026	0	38	-1.0	-47.09	329.89	3.90	-43.19
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007650027	0	36	-1.0	-47.17	305.67	2.96	-44.21
CC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007650028	0	34	-1.0	-43.96	316.13	4.00	-39.96
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007650029	0	32	-1.0	-45.10	309.71	5.25	-39.85
CC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1C	REAL300007650030	0	35	-1.0	-46.42	290.17	5.22	-41.20
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650031	0	40	-1.0	-50.09	349.70	6.21	-43.88
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007650032	0	40	-1.0	-48.18	333.33	7.27	-40.91
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007650033	0	35	-1.0	-47.29	327.01	5.22	-42.07
O=C([O-])C1(F)CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007650034	0	35	-1.0	-45.96	307.78	4.62	-41.34
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007650035	0	36	-1.0	-54.46	317.59	2.54	-51.92
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007650036	0	29	-1.0	-49.46	287.58	4.45	-45.01
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007650037	0	36	-1.0	-46.08	314.32	6.28	-39.80
COC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=CS1	REAL300007650038	0	30	-1.0	-47.44	284.51	2.68	-44.76
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007650039	0	39	-1.0	-46.30	329.38	4.78	-41.52
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650040	0	38	-1.0	-45.35	325.33	4.08	-41.27
CN(C1CCCCCC1)S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650041	0	43	-1.0	-44.05	335.75	5.16	-38.89
CN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007650042	0	43	-1.0	-48.28	355.30	2.99	-45.29
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650043	0	35	-1.0	-47.75	317.78	5.71	-42.04
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007650044	0	33	-1.0	-47.42	304.38	3.75	-43.67
O=C([O-])C1(F)CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007650045	0	44	-1.0	-47.25	360.83	6.83	-40.42
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)S1	REAL300007650046	0	30	-1.0	-46.94	288.38	2.64	-44.30
CC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300007650047	0	40	-1.0	-58.25	332.01	6.28	-51.97
O=C([O-])C1(F)CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007650048	0	37	-1.0	-46.61	320.34	4.31	-42.30
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007650049	0	32	-1.0	-46.75	298.05	2.90	-43.85
CCOCC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650050	0	39	-1.0	-49.02	341.50	4.87	-44.15
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650051	0	39	-1.0	-48.20	343.77	5.43	-42.77
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007650052	0	42	-1.0	-48.22	351.77	5.15	-43.07
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007650053	0	40	-1.0	-48.06	353.28	7.04	-41.02
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300007650054	0	32	-1.0	-47.69	285.91	5.23	-42.46
CC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC(C)=C1Br	REAL300007650055	0	35	-1.0	-44.73	323.08	5.91	-38.82
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007650056	0	38	-1.0	-50.55	317.64	6.75	-43.80
CN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300007650057	0	39	-1.0	-49.51	337.76	5.34	-44.17
O=C([O-])C1(F)CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007650058	0	33	-1.0	-47.52	302.92	5.44	-42.08
O=C([O-])C1(F)CCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300007650059	0	33	-1.0	-47.66	317.80	5.98	-41.68
O=C([O-])C1(F)CCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300007650060	0	33	-1.0	-47.07	317.80	6.00	-41.07
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007650061	0	34	-1.0	-53.99	309.24	-1.92	-55.91
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007650062	0	32	-1.0	-49.62	290.59	4.58	-45.04
O=C([O-])C1(F)CCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007650063	0	35	-1.0	-47.58	297.57	4.64	-42.94
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007650064	0	31	-1.0	-47.56	296.30	3.59	-43.97
O=C([O-])C1(F)CCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300007650065	0	37	-1.0	-49.51	319.33	1.37	-48.14
CC1=NC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007650066	0	38	-1.0	-48.67	341.79	3.17	-45.50
O=C([O-])C1(F)CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007650067	0	46	-1.0	-46.51	342.40	7.08	-39.43
CC1(C)COC(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C1	REAL300007650068	0	39	-1.0	-49.63	325.42	3.50	-46.13
O=C([O-])C1(F)CCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007650069	0	32	-1.0	-53.38	296.16	-0.14	-53.52
CC(C)(CS(=O)(=O)N1CCC(F)(C(=O)[O-])C1)C(C)(F)F	REAL300007650070	0	37	-1.0	-48.72	303.52	4.66	-44.06
CS(=O)(=O)CCCCS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650071	0	37	-1.0	-60.18	335.01	1.00	-59.18
CC1(C)CCC(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)OC1	REAL300007650072	0	42	-1.0	-51.89	338.81	4.54	-47.35
O=C([O-])C1(F)CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300007650073	0	39	-1.0	-46.18	335.91	6.49	-39.69
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007650074	0	33	-1.0	-54.20	313.37	3.23	-50.97
O=C([O-])C1(F)CCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007650075	0	39	-1.0	-52.81	346.44	7.04	-45.77
O=C([O-])C1(F)CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007650076	0	38	-1.0	-51.89	318.41	2.01	-49.88
O=C([O-])C1(F)CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007650077	0	42	-1.0	-47.61	332.15	6.18	-41.43
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007650078	0	33	-1.0	-45.27	308.92	5.51	-39.76
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=CC=C21	REAL300007650079	0	51	-1.0	-46.33	395.08	8.35	-37.98
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007650080	0	40	-1.0	-48.51	341.08	5.25	-43.26
COC1=CSC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1OC	REAL300007650081	0	34	-1.0	-46.39	316.12	2.85	-43.54
O=C([O-])C1(F)CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007650082	0	41	-1.0	-45.39	324.95	4.64	-40.75
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650083	0	40	-1.0	-47.63	340.59	5.93	-41.70
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007650084	0	33	-1.0	-47.66	309.02	5.08	-42.58
COC1=CC(F)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(F)=C1	REAL300007650085	0	33	-1.0	-49.64	302.57	3.77	-45.87
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007650086	0	33	-1.0	-51.17	310.05	3.83	-47.34
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650087	0	35	-1.0	-47.94	308.67	4.10	-43.84
CN1C=CC2=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=CC=C21	REAL300007650088	0	36	-1.0	-50.03	319.08	5.96	-44.07
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300007650089	0	38	-1.0	-47.14	343.46	4.68	-42.46
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650090	0	42	-1.0	-51.06	358.41	6.61	-44.45
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007650091	0	40	-1.0	-50.72	353.26	7.05	-43.67
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650092	0	35	-1.0	-53.19	305.15	6.06	-47.13
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007650093	0	30	-1.0	-47.31	303.89	3.10	-44.21
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650094	0	40	-1.0	-46.78	348.45	5.78	-41.00
CCN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007650095	0	39	-1.0	-48.68	335.95	4.74	-43.94
CC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300007650096	0	33	-1.0	-54.43	298.52	3.30	-51.13
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007650097	0	35	-1.0	-45.92	328.02	6.97	-38.95
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300007650098	0	39	-1.0	-47.26	355.50	8.12	-39.14
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007650099	0	28	-1.0	-44.63	292.74	2.17	-42.46
CCC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1Br	REAL300007650100	0	35	-1.0	-45.97	323.61	6.06	-39.91
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650101	0	42	-1.0	-45.54	352.63	5.37	-40.17
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007650102	0	26	-1.0	-44.28	273.92	3.70	-40.58
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650103	0	43	-1.0	-49.67	365.13	4.54	-45.13
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007650104	0	35	-1.0	-51.33	316.76	6.80	-44.53
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650105	0	37	-1.0	-46.37	314.86	1.84	-44.53
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007650106	0	36	-1.0	-47.29	297.23	5.85	-41.44
CC1(C)CCN(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)CC1	REAL300007650107	0	40	-1.0	-44.36	317.56	4.25	-40.11
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007650108	0	44	-1.0	-46.36	367.24	4.56	-41.80
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650109	0	32	-1.0	-45.33	303.10	1.93	-43.40
COC1=NC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C	REAL300007650110	0	35	-1.0	-45.53	312.44	1.59	-43.94
CC(C)CN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300007650111	0	38	-1.0	-46.64	328.32	4.35	-42.29
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650112	0	38	-1.0	-47.91	323.61	3.74	-44.17
O=C([O-])C1(F)CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007650113	0	39	-1.0	-50.11	321.50	1.48	-48.63
COCC1=CC(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=NO1	REAL300007650114	0	35	-1.0	-53.52	318.85	2.07	-51.45
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007650115	0	34	-1.0	-48.79	321.86	6.34	-42.45
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)N=C1	REAL300007650116	0	40	-1.0	-46.34	337.54	4.56	-41.78
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650117	0	35	-1.0	-45.16	307.11	3.44	-41.72
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300007650118	0	36	-1.0	-44.64	310.18	4.33	-40.31
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007650119	0	36	-1.0	-49.20	313.36	5.00	-44.20
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300007650120	0	31	-1.0	-50.05	295.21	3.18	-46.87
O=C([O-])C1(F)CCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300007650121	0	34	-1.0	-53.78	300.43	4.57	-49.21
CC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=NN1C(C)C	REAL300007650122	0	38	-1.0	-49.69	323.00	3.82	-45.87
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007650123	0	43	-1.0	-48.40	373.40	7.74	-40.66
O=C([O-])C1(F)CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300007650124	0	34	-1.0	-52.99	300.15	4.59	-48.40
CC1=CN=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1	REAL300007650125	0	34	-1.0	-47.06	294.69	3.64	-43.42
O=C([O-])C1(F)CCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300007650126	0	32	-1.0	-45.09	296.18	3.89	-41.20
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650127	0	37	-1.0	-55.53	323.27	-0.04	-55.57
O=C([O-])C1(F)CCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300007650128	0	36	-1.0	-45.35	287.02	1.91	-43.44
N#CC1CCN(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)CC1	REAL300007650129	0	35	-1.0	-50.01	303.11	3.68	-46.33
COC1=CC=NC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650130	0	32	-1.0	-48.87	291.74	1.55	-47.32
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C(F)F)=C1	REAL300007650131	0	36	-1.0	-50.31	317.81	4.86	-45.45
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)N=C1	REAL300007650132	0	32	-1.0	-50.41	290.55	1.54	-48.87
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650133	0	35	-1.0	-45.28	325.49	2.42	-42.86
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300007650134	0	34	-1.0	-47.95	295.47	4.33	-43.62
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007650135	0	35	-1.0	-53.06	310.97	3.32	-49.74
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300007650136	0	37	-1.0	-53.38	318.05	5.72	-47.66
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300007650137	0	33	-1.0	-49.83	295.33	4.02	-45.81
O=C([O-])C1(F)CCN(S(=O)(=O)N2CCC(F)(F)C2)C1	REAL300007650138	0	31	-1.0	-45.19	281.54	2.68	-42.51
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300007650139	0	31	-1.0	-49.16	294.50	3.12	-46.04
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300007650140	0	36	-1.0	-47.94	333.09	4.98	-42.96
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007650141	0	42	-1.0	-48.74	349.75	6.26	-42.48
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007650142	0	36	-1.0	-60.12	321.98	5.13	-54.99
COC1=CC(CNS(=O)(=O)C2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300007650143	0	36	-1.0	-61.24	328.39	5.20	-56.04
COC1=CC(CNS(=O)(=O)C2=CC=CC(C(C)=O)=C2)=CC=C1C(=O)[O-]	REAL300007650144	0	41	-1.0	-67.60	362.47	5.51	-62.09
CCCCN(C)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650145	0	43	-1.0	-60.59	363.52	4.79	-55.80
CCCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650146	0	38	-1.0	-63.11	328.82	4.39	-58.72
COC1=CC(CNS(=O)(=O)C2=CC=CS2)=CC=C1C(=O)[O-]	REAL300007650147	0	33	-1.0	-59.94	313.91	4.14	-55.80
CCC(C)C1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650148	0	48	-1.0	-59.80	400.65	7.72	-52.08
COC1=CC(CNS(=O)(=O)C2=CC=C(C)S2)=CC=C1C(=O)[O-]	REAL300007650149	0	36	-1.0	-59.80	335.81	4.93	-54.87
COC1=CC(CNS(=O)(=O)C2=CC=C(Cl)S2)=CC=C1C(=O)[O-]	REAL300007650150	0	33	-1.0	-58.25	330.97	4.75	-53.50
COC1=CC=C(C)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650151	0	43	-1.0	-61.35	363.91	5.63	-55.72
COC1=CC(CNS(=O)(=O)N2CCOCC2)=CC=C1C(=O)[O-]	REAL300007650152	0	39	-1.0	-59.94	330.25	1.84	-58.10
COC1=CC(CNS(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300007650153	0	42	-1.0	-67.94	382.69	2.65	-65.29
COC1=CC(C)=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300007650154	0	47	-1.0	-62.28	395.35	5.23	-57.05
COC1=CC(CNS(=O)(=O)C2=CC=C(Cl)C=C2C)=CC=C1C(=O)[O-]	REAL300007650155	0	39	-1.0	-59.15	353.41	6.55	-52.60
COC1=CC(CNS(=O)(=O)C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300007650156	0	36	-1.0	-62.75	326.53	2.84	-59.91
CCN(CC)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650157	0	40	-1.0	-59.81	335.20	3.88	-55.93
COC1=CC(CNS(=O)(=O)N(C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300007650158	0	47	-1.0	-59.45	375.19	5.46	-53.99
COC1=CC(CNS(=O)(=O)C2=C(C)N(C)N=C2C)=CC=C1C(=O)[O-]	REAL300007650159	0	42	-1.0	-62.36	359.60	4.20	-58.16
COC1=CC(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)=CC=C1C(=O)[O-]	REAL300007650160	0	42	-1.0	-62.83	366.48	4.29	-58.54
CCC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650161	0	42	-1.0	-60.12	364.88	6.57	-53.55
COC1=CC(CNS(=O)(=O)C2=CNN=C2C)=CC=C1C(=O)[O-]	REAL300007650162	0	36	-1.0	-62.52	324.61	2.12	-60.40
COC1=CC(CNS(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007650163	0	41	-1.0	-66.33	354.41	7.49	-58.84
COC1=CC(CNS(=O)(=O)CCC2=CC=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300007650164	0	42	-1.0	-64.19	383.97	7.15	-57.04
COC1=CC(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300007650165	0	46	-1.0	-73.79	404.40	1.73	-72.06
COC1=CC(CNS(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007650166	0	47	-1.0	-63.70	404.44	6.96	-56.74
COC1=CC(CNS(=O)(=O)C2=CC(C)=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300007650167	0	39	-1.0	-59.45	349.80	5.86	-53.59
COC1=CC(CNS(=O)(=O)CCC2CC2)=CC=C1C(=O)[O-]	REAL300007650168	0	39	-1.0	-63.10	338.95	5.17	-57.93
COC1=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3OC2)=CC=C1C(=O)[O-]	REAL300007650169	0	42	-1.0	-62.50	367.67	5.64	-56.86
COCC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650170	0	43	-1.0	-61.57	377.06	4.86	-56.71
CCOC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300007650171	0	42	-1.0	-60.64	371.02	2.75	-57.89
COC1=CC(CNS(=O)(=O)CCCS(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300007650172	0	41	-1.0	-77.53	370.97	1.17	-76.36
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=C1C	REAL300007650173	0	46	-1.0	-60.55	382.36	5.96	-54.59
COC1=CC(CNS(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CC=C1C(=O)[O-]	REAL300007650174	0	41	-1.0	-62.75	362.95	5.52	-57.23
COC1=CC(CNS(=O)(=O)CC2=NOC=C2)=CC=C1C(=O)[O-]	REAL300007650175	0	35	-1.0	-67.62	320.73	3.12	-64.50
COC1=CC(CNS(=O)(=O)C2=C(C)N(C)N=C2)=CC=C1C(=O)[O-]	REAL300007650176	0	39	-1.0	-63.31	342.79	3.35	-59.96
COC1=CC(CNS(=O)(=O)N(C)C2CCOCC2)=CC=C1C(=O)[O-]	REAL300007650177	0	45	-1.0	-60.61	369.01	3.22	-57.39
COC1=CC(CNS(=O)(=O)N2CC3CCC2C3)=CC=C1C(=O)[O-]	REAL300007650178	0	42	-1.0	-60.03	349.42	4.69	-55.34
CCN1N=C(C)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1C	REAL300007650179	0	45	-1.0	-61.57	380.49	5.03	-56.54
COC1=CC(CNS(=O)(=O)C2=CN(C(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300007650180	0	42	-1.0	-62.15	366.74	4.22	-57.93
COC1=CC(CNS(=O)(=O)C2=CN(CC(C)C)C=N2)=CC=C1C(=O)[O-]	REAL300007650181	0	45	-1.0	-63.40	386.53	6.38	-57.02
COC1=CC(CNS(=O)(=O)C2=CN(C(C)C)C=N2)=CC=C1C(=O)[O-]	REAL300007650182	0	42	-1.0	-63.07	367.43	5.51	-57.56
COC1=CC(CNS(=O)(=O)C2=CNC(C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300007650183	0	42	-1.0	-63.92	365.78	3.57	-60.35
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300007650184	0	48	-1.0	-60.91	374.47	7.64	-53.27
COC1=CC(CNS(=O)(=O)CC2CCCOC2)=CC=C1C(=O)[O-]	REAL300007650185	0	43	-1.0	-65.29	355.76	3.87	-61.42
COC1=CC(CNS(=O)(=O)C2=CC=CC(F)=C2C)=CC=C1C(=O)[O-]	REAL300007650186	0	39	-1.0	-60.06	341.87	6.07	-53.99
COC1=CC(CNS(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)=CC=C1C(=O)[O-]	REAL300007650187	0	51	-1.0	-61.65	413.51	6.10	-55.55
COC1=CC(CNS(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300007650188	0	39	-1.0	-61.23	354.17	6.00	-55.23
COCC1=CC=C(OC)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650189	0	47	-1.0	-62.37	397.58	4.69	-57.68
COCCC(C)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650190	0	42	-1.0	-63.67	355.96	3.52	-60.15
COC1=CC=C(F)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650191	0	40	-1.0	-61.66	348.90	5.03	-56.63
CCC(C)CS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650192	0	41	-1.0	-62.60	341.29	5.01	-57.59
COC1=CC(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)=CC=C1C(=O)[O-]	REAL300007650193	0	54	-1.0	-59.12	409.06	6.82	-52.30
COC1=CC(CNS(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)=CC=C1C(=O)[O-]	REAL300007650194	0	44	-1.0	-63.71	375.23	6.81	-56.90
COC1=CC(CNS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007650195	0	44	-1.0	-68.27	386.76	7.02	-61.25
CCN(CC1CC1)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650196	0	44	-1.0	-59.30	367.21	5.37	-53.93
COC1=CC(CNS(=O)(=O)C2=CN(C3CCOCC3)N=C2)=CC=C1C(=O)[O-]	REAL300007650197	0	47	-1.0	-62.43	399.14	3.67	-58.76
CCCN1C=NC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650198	0	42	-1.0	-64.15	369.30	5.88	-58.27
COCCOCCOCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650199	0	50	-1.0	-66.17	430.46	2.44	-63.73
COC1=CC(CNS(=O)(=O)CCOCC2CC2)=CC=C1C(=O)[O-]	REAL300007650200	0	43	-1.0	-62.63	373.03	4.43	-58.20
COC1=CC(CNS(=O)(=O)CC(C)COC2CCCC2)=CC=C1C(=O)[O-]	REAL300007650201	0	52	-1.0	-64.20	422.80	6.50	-57.70
COCC(C)CS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650202	0	42	-1.0	-64.43	356.00	3.45	-60.98
CCOCC(C)CS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650203	0	45	-1.0	-64.41	377.86	4.43	-59.98
COC1=CC(CNS(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC=C1C(=O)[O-]	REAL300007650204	0	44	-1.0	-61.75	380.02	2.88	-58.87
COC1=CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)=CC=C1C(=O)[O-]	REAL300007650205	0	42	-1.0	-64.01	377.52	5.88	-58.13
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2C(C)C)=CC=C1C(=O)[O-]	REAL300007650206	0	45	-1.0	-60.20	375.93	7.22	-52.98
COC1=CC(CNS(=O)(=O)CCCN2CCOCC2)=CC=C1C(=O)[O-]	REAL300007650207	0	48	-1.0	-65.32	395.67	2.11	-63.21
CCOC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650208	0	43	-1.0	-62.01	373.33	5.36	-56.65
COCCN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300007650209	0	43	-1.0	-62.54	381.74	2.75	-59.79
COC1=CC(CNS(=O)(=O)CCC(C)(C)C)=CC=C1C(=O)[O-]	REAL300007650210	0	44	-1.0	-62.82	362.56	5.31	-57.51
COC1=CC(CNS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300007650211	0	44	-1.0	-69.09	395.46	7.31	-61.78
COC1=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC=C1C(=O)[O-]	REAL300007650212	0	41	-1.0	-62.29	363.17	5.50	-56.79
COC1=CC(CNS(=O)(=O)N2CCC(C)C2)=CC=C1C(=O)[O-]	REAL300007650213	0	41	-1.0	-59.33	346.57	4.06	-55.27
COCC1=CC=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650214	0	43	-1.0	-59.82	368.51	5.25	-54.57
COC1=CC(CNS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300007650215	0	39	-1.0	-66.25	365.94	4.20	-62.05
COC1=CC(CNS(=O)(=O)C2=CN(CC(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300007650216	0	39	-1.0	-63.97	361.06	3.98	-59.99
COC1=CC(CNS(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=CC=C1C(=O)[O-]	REAL300007650217	0	47	-1.0	-61.08	399.45	6.38	-54.70
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2SC)=CC=C1C(=O)[O-]	REAL300007650218	0	40	-1.0	-61.07	346.32	5.31	-55.76
CCC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650219	0	42	-1.0	-59.88	364.87	6.56	-53.32
CCC1=CC=C(CS(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650220	0	45	-1.0	-64.36	388.63	7.29	-57.07
COC1=CC(CNS(=O)(=O)CCC2=CC=CS2)=CC=C1C(=O)[O-]	REAL300007650221	0	39	-1.0	-63.04	357.47	5.73	-57.31
COC1=CC(CNS(=O)(=O)CC2=CC=C(C)C(C)=C2)=CC=C1C(=O)[O-]	REAL300007650222	0	45	-1.0	-64.74	384.16	7.05	-57.69
COC1=CC(CNS(=O)(=O)N(C)CC(C)C)=CC=C1C(=O)[O-]	REAL300007650223	0	43	-1.0	-60.34	361.81	4.74	-55.60
CCN(C)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650224	0	37	-1.0	-60.48	320.53	3.26	-57.22
COC1=CC(CNS(=O)(=O)N(C)C2CCCC2)=CC=C1C(=O)[O-]	REAL300007650225	0	44	-1.0	-59.92	360.67	4.91	-55.01
CCCN(C)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650226	0	40	-1.0	-60.43	342.02	4.01	-56.42
COC1=CC(CNS(=O)(=O)N2CCOC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300007650227	0	45	-1.0	-59.27	368.17	3.33	-55.94
COC1=CC(CNS(=O)(=O)CC2=CC(C)=NO2)=CC=C1C(=O)[O-]	REAL300007650228	0	38	-1.0	-68.94	342.67	4.00	-64.94
CCS(=O)(=O)NCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650229	0	43	-1.0	-72.37	385.83	-0.12	-72.49
COC1=CC(CNS(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300007650230	0	42	-1.0	-59.90	375.74	6.41	-53.49
COC1=CC(CNS(=O)(=O)CCC2CCCO2)=CC=C1C(=O)[O-]	REAL300007650231	0	43	-1.0	-63.23	363.75	3.93	-59.30
COC1=CC(CNS(=O)(=O)CCC2=CC=C3OCCC3=C2)=CC=C1C(=O)[O-]	REAL300007650232	0	47	-1.0	-65.79	403.14	6.48	-59.31
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C(N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300007650233	0	47	-1.0	-60.22	396.89	5.80	-54.42
COC1=CC(CNS(=O)(=O)C2=C3OCCCN3N=C2)=CC=C1C(=O)[O-]	REAL300007650234	0	41	-1.0	-63.41	354.84	2.07	-61.34
COC1=CC(CNS(=O)(=O)CCOCC2CCCC2)=CC=C1C(=O)[O-]	REAL300007650235	0	49	-1.0	-62.24	406.73	5.59	-56.65
COC1=CC(C)=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1Cl	REAL300007650236	0	43	-1.0	-61.33	383.05	5.77	-55.56
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650237	0	48	-1.0	-61.32	395.82	5.61	-55.71
COC1=CC(CNS(=O)(=O)CC(C)OC)=CC=C1C(=O)[O-]	REAL300007650238	0	39	-1.0	-64.67	338.16	3.08	-61.59
CCC1=NOC2=NC=C(S(=O)(=O)NCC3=CC=C(C(=O)[O-])C(OC)=C3)C=C12	REAL300007650239	0	43	-1.0	-65.15	383.22	2.84	-62.31
COC1=CC(CNS(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=CC=C1C(=O)[O-]	REAL300007650240	0	41	-1.0	-64.04	366.34	4.26	-59.78
COC1=CC(CNS(=O)(=O)C2=CN3CCCCC3=N2)=CC=C1C(=O)[O-]	REAL300007650241	0	43	-1.0	-63.93	367.77	5.16	-58.77
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=C1F	REAL300007650242	0	43	-1.0	-61.76	371.16	5.37	-56.39
COC1=CC(CNS(=O)(=O)CC2(C)CCCCC2)=CC=C1C(=O)[O-]	REAL300007650243	0	48	-1.0	-61.41	371.82	6.64	-54.77
COC1=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3OCC2)=CC=C1C(=O)[O-]	REAL300007650244	0	45	-1.0	-61.80	384.03	6.56	-55.24
COC1=CC(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300007650245	0	44	-1.0	-62.18	391.42	6.39	-55.79
COC1=CC(CNS(=O)(=O)C2=CN=NN2C)=CC=C1C(=O)[O-]	REAL300007650246	0	35	-1.0	-61.48	316.45	1.55	-59.93
COCC1=CC(Cl)=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650247	0	43	-1.0	-60.30	393.78	5.36	-54.94
COC1=CC(CNS(=O)(=O)CC2=CC=C(C)C=C2F)=CC=C1C(=O)[O-]	REAL300007650248	0	42	-1.0	-64.02	372.47	6.55	-57.47
COC1=CC(CNS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007650249	0	48	0.0	-93.72	400.41	7.04	-86.68
COC1=CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)S2)=CC=C1C(=O)[O-]	REAL300007650250	0	36	-1.0	-59.29	354.55	5.32	-53.97
COC1=CC(CNS(=O)(=O)CCC2CC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300007650251	0	49	-1.0	-65.37	410.73	8.42	-56.95
COC1=CC(CNS(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=CC=C1C(=O)[O-]	REAL300007650252	0	47	-1.0	-66.27	403.86	5.86	-60.41
COC1=CC(CNS(=O)(=O)CCC2CCC2)=CC=C1C(=O)[O-]	REAL300007650253	0	42	-1.0	-63.01	355.56	5.69	-57.32
COC1=CC(CNS(=O)(=O)CCCC(C)(C)C)=CC=C1C(=O)[O-]	REAL300007650254	0	47	-1.0	-63.02	384.06	6.08	-56.94
COC1=CC(CNS(=O)(=O)CC2CCCS(=O)(=O)C2)=CC=C1C(=O)[O-]	REAL300007650255	0	45	-1.0	-73.29	383.12	2.31	-70.98
COC1=CC(CNS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300007650256	0	39	-1.0	-60.75	358.16	5.58	-55.17
COC1=CC(CNS(=O)(=O)CCC2=C(C)N=CS2)=CC=C1C(=O)[O-]	REAL300007650257	0	41	-1.0	-64.63	371.22	4.37	-60.26
COCC1(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300007650258	0	40	-1.0	-63.07	347.71	4.13	-58.94
COC1=CC(CNS(=O)(=O)CC23CCC(CC2)C3)=CC=C1C(=O)[O-]	REAL300007650259	0	46	-1.0	-61.84	366.64	6.60	-55.24
COC1=CC(CNS(=O)(=O)CC2CC(F)(F)C2)=CC=C1C(=O)[O-]	REAL300007650260	0	39	-1.0	-66.40	347.27	5.09	-61.31
COC1=CC(CNS(=O)(=O)CC23CCC(CC2)CC3)=CC=C1C(=O)[O-]	REAL300007650261	0	49	-1.0	-61.69	379.40	7.15	-54.54
COC1=CC(CNS(=O)(=O)CCC2CCOC2)=CC=C1C(=O)[O-]	REAL300007650262	0	43	-1.0	-65.63	361.28	3.63	-62.00
COC1=CC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300007650263	0	47	-1.0	-70.26	395.23	2.25	-68.01
COC1=CC(CNS(=O)(=O)CC2CCCCC2(F)F)=CC=C1C(=O)[O-]	REAL300007650264	0	45	-1.0	-61.71	375.05	6.28	-55.43
COC1=CC(CNS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007650265	0	43	-1.0	-62.39	372.67	7.26	-55.13
COC1=CC(CNS(=O)(=O)C2=NN(C)C=C2)=CC=C1C(=O)[O-]	REAL300007650266	0	36	-1.0	-64.68	326.83	2.66	-62.02
CCC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1[N+](=O)[O-]	REAL300007650267	0	44	-1.0	-64.98	384.38	6.98	-58.00
COC1=CC(CNS(=O)(=O)C2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300007650268	0	36	-1.0	-59.67	338.71	5.65	-54.02
COC1=CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300007650269	0	38	-1.0	-62.29	350.20	5.80	-56.49
COC1=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1C(=O)[O-]	REAL300007650270	0	42	-1.0	-61.24	367.93	7.41	-53.83
COC1=CC(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300007650271	0	38	-1.0	-65.27	350.20	5.80	-59.47
COC1=CC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=CC=C1C(=O)[O-]	REAL300007650272	0	41	-1.0	-64.04	364.91	6.71	-57.33
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650273	0	40	-1.0	-61.08	351.47	4.43	-56.65
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007650274	0	38	-1.0	-66.61	339.55	6.63	-59.98
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C=C2)=CC=C1C(=O)[O-]	REAL300007650275	0	39	-1.0	-59.92	343.39	5.81	-54.11
CCOC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650276	0	43	-1.0	-60.82	373.32	5.36	-55.46
COC1=CC(CNS(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300007650277	0	48	-1.0	-58.72	382.56	7.71	-51.01
COC1=CC(CNS(=O)(=O)C2=C(C)C=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300007650278	0	45	-1.0	-58.74	366.09	7.16	-51.58
COC1=CC(CNS(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=CC=C1C(=O)[O-]	REAL300007650279	0	51	-1.0	-59.82	412.90	8.36	-51.46
COC1=CC(CNS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300007650280	0	39	-1.0	-61.37	360.72	6.13	-55.24
COC1=CC(CNS(=O)(=O)C2=CC=CC(C)=C2)=CC=C1C(=O)[O-]	REAL300007650281	0	39	-1.0	-59.99	343.39	5.80	-54.19
COC1=CC(CNS(=O)(=O)C=CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007650282	0	40	-1.0	-61.48	353.89	6.31	-55.17
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007650283	0	39	-1.0	-62.24	346.91	6.71	-55.53
COC1=CC(CNS(=O)(=O)C2=CC=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300007650284	0	36	-1.0	-60.65	338.71	5.65	-55.00
COC1=CC(CNS(=O)(=O)C2=CC=C(C(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300007650285	0	41	-1.0	-64.48	363.22	5.54	-58.94
COC1=CC(CNS(=O)(=O)C2=CC(C)=CC=C2C)=CC=C1C(=O)[O-]	REAL300007650286	0	42	-1.0	-60.13	358.11	6.70	-53.43
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C(C)=C2)=CC=C1C(=O)[O-]	REAL300007650287	0	42	-1.0	-59.88	360.41	6.33	-53.55
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300007650288	0	42	-1.0	-60.08	358.10	6.71	-53.37
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1[N+](=O)[O-]	REAL300007650289	0	42	-1.0	-65.97	377.50	5.88	-60.09
COC1=CC(CNS(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007650290	0	48	-1.0	-59.76	398.19	7.45	-52.31
COC1=CC(CNS(=O)(=O)C2=CC=C(C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007650291	0	45	-1.0	-59.90	382.21	7.06	-52.84
CCCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650292	0	38	-1.0	-63.11	328.82	4.39	-58.72
CCCC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650293	0	45	-1.0	-60.00	386.37	7.35	-52.65
COC1=CC=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650294	0	40	-1.0	-61.47	342.57	4.97	-56.50
COC1=CC(CNS(=O)(=O)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007650295	0	39	-1.0	-64.49	345.74	5.84	-58.65
COC1=CC(CNS(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)=CC=C1C(=O)[O-]	REAL300007650296	0	51	-1.0	-59.09	395.85	8.15	-50.94
COC1=CC(CNS(=O)(=O)C2=CC=C3OCCCOC3=C2)=CC=C1C(=O)[O-]	REAL300007650297	0	45	-1.0	-62.56	384.81	5.07	-57.49
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300007650298	0	41	-1.0	-65.06	366.21	6.33	-58.73
COC1=CC(CNS(=O)(=O)C2=C(C)NN=C2C)=CC=C1C(=O)[O-]	REAL300007650299	0	39	-1.0	-61.37	338.19	2.96	-58.41
COC1=CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300007650300	0	39	-1.0	-59.88	360.72	6.13	-53.75
COC1=CC(CNS(=O)(=O)C2=CC=C3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300007650301	0	46	-1.0	-59.75	384.70	7.61	-52.14
COC1=CC=C(OC)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650302	0	44	-1.0	-62.99	371.97	4.25	-58.74
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300007650303	0	44	-1.0	-62.49	380.71	4.34	-58.15
COC1=CC(CNS(=O)(=O)C2=CC=C3CCCC3=C2)=CC=C1C(=O)[O-]	REAL300007650304	0	43	-1.0	-60.22	367.54	7.04	-53.18
COC1=CC(CNS(=O)(=O)C2=C(C)ON=C2C)=CC=C1C(=O)[O-]	REAL300007650305	0	38	-1.0	-59.63	335.06	4.08	-55.55
COC1=CC(C[N-]S(=O)(=O)C2=C(C)ON=C2C)=CC=C1C(=O)[O-]	REAL300007650305	1	37	-2.0	-97.81	332.83	3.70	-94.11
COC1=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3CC2)=CC=C1C(=O)[O-]	REAL300007650306	0	44	-1.0	-60.73	376.44	7.53	-53.20
COC1=CC(CNS(=O)(=O)C2=CC=C3OCCC3=C2)=CC=C1C(=O)[O-]	REAL300007650307	0	41	-1.0	-61.02	357.90	4.99	-56.03
COC1=CC(CNS(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007650308	0	51	-1.0	-59.88	425.43	8.64	-51.24
COC1=CC(CNS(=O)(=O)C2=CC(C)=C(C)C([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300007650309	0	44	-1.0	-63.95	383.06	6.85	-57.10
COC1=CC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300007650310	0	44	-1.0	-63.09	381.88	7.23	-55.86
COC1=CC(CNS(=O)(=O)N2CCCCCC2)=CC=C1C(=O)[O-]	REAL300007650311	0	44	-1.0	-60.57	354.65	5.21	-55.36
COC1=CC(CNS(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)=CC=C1C(=O)[O-]	REAL300007650312	0	44	-1.0	-63.31	375.56	6.90	-56.41
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C([N+](=O)[O-])=C1	REAL300007650313	0	42	-1.0	-65.01	369.01	5.93	-59.08
COC1=CC(CNS(=O)(=O)C2=CC=C(Cl)C=C2OC)=CC=C1C(=O)[O-]	REAL300007650314	0	40	-1.0	-59.65	359.23	5.48	-54.17
COC1=CC(CNS(=O)(=O)N2CCCCC2)=CC=C1C(=O)[O-]	REAL300007650315	0	41	-1.0	-58.81	338.21	4.23	-54.58
COC1=CC(CNS(=O)(=O)N2CCCC2)=CC=C1C(=O)[O-]	REAL300007650316	0	38	-1.0	-59.63	325.44	3.48	-56.15
COC1=CC(CNS(=O)(=O)N2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300007650317	0	45	-1.0	-59.54	374.63	6.28	-53.26
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300007650318	0	44	-1.0	-61.89	378.23	6.43	-55.46
COC1=CC(CNS(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007650319	0	44	-1.0	-64.78	377.85	7.82	-56.96
COC1=CC(CNS(=O)(=O)N2CCC(C)CC2)=CC=C1C(=O)[O-]	REAL300007650320	0	44	-1.0	-58.55	359.04	4.81	-53.74
COC1=CC(CNS(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300007650321	0	42	-1.0	-68.57	382.68	2.65	-65.92
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007650322	0	46	-1.0	-58.44	377.66	8.24	-50.20
COC1=CC(CNS(=O)(=O)N2CC(C)CC(C)C2)=CC=C1C(=O)[O-]	REAL300007650323	0	47	-1.0	-58.20	371.14	5.41	-52.79
COC1=CC(CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300007650324	0	42	-1.0	-61.87	362.99	7.49	-54.38
COC1=CC(CNS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300007650325	0	46	-1.0	-61.43	396.17	8.54	-52.89
COC1=CC(CNS(=O)(=O)C2=CC(F)=CC=C2C)=CC=C1C(=O)[O-]	REAL300007650326	0	39	-1.0	-60.62	343.09	6.10	-54.52
COC1=CC(CNS(=O)(=O)C2=CC=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300007650327	0	37	-1.0	-62.11	340.35	3.52	-58.59
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650328	0	40	-1.0	-61.03	359.23	5.48	-55.55
COC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650329	0	40	-1.0	-62.22	351.49	4.43	-57.79
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650330	0	51	-1.0	-59.73	412.41	7.92	-51.81
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300007650331	0	39	-1.0	-59.44	357.45	6.25	-53.19
COC1=CC(CNS(=O)(=O)C2=CC=C(OC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007650332	0	46	-1.0	-60.60	391.25	5.98	-54.62
CCC1=CC=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650333	0	42	-1.0	-59.90	353.79	6.91	-52.99
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2C)=CC=C1C(=O)[O-]	REAL300007650334	0	39	-1.0	-60.29	336.69	6.03	-54.26
COC1=CC(CNS(=O)(=O)C2=CN(C)C(C)=N2)=CC=C1C(=O)[O-]	REAL300007650335	0	39	-1.0	-66.66	345.51	4.01	-62.65
COC1=CC(CNS(=O)(=O)CC2=CC=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300007650336	0	39	-1.0	-64.95	362.47	6.35	-58.60
COC1=CC(CNS(=O)(=O)C2=CC=CC3=NON=C32)=CC=C1C(=O)[O-]	REAL300007650337	0	37	-1.0	-62.80	332.88	3.84	-58.96
COC1=CC(CNS(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300007650338	0	41	-1.0	-64.01	354.19	6.26	-57.75
COC1=CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)=CC=C1C(=O)[O-]	REAL300007650339	0	42	-1.0	-60.95	370.68	5.63	-55.32
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1F	REAL300007650340	0	40	-1.0	-62.75	357.70	4.50	-58.25
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300007650341	0	39	-1.0	-59.88	348.70	5.84	-54.04
COC1=CC(CNS(=O)(=O)CC2=CC=C(C)C=C2)=CC=C1C(=O)[O-]	REAL300007650342	0	42	-1.0	-64.56	367.15	6.52	-58.04
COC1=CC(CNS(=O)(=O)C2=CN(C)C=N2)=CC=C1C(=O)[O-]	REAL300007650343	0	36	-1.0	-64.45	326.00	4.22	-60.23
COC1=CC(CNS(=O)(=O)C2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300007650344	0	35	-1.0	-61.46	316.97	3.35	-58.11
COC1=CC(CNS(=O)(=O)N2CCCCC2C)=CC=C1C(=O)[O-]	REAL300007650345	0	44	-1.0	-58.99	352.40	5.21	-53.78
COC1=CC(CNS(=O)(=O)N(C)C(C)C)=CC=C1C(=O)[O-]	REAL300007650346	0	40	-1.0	-59.87	333.56	3.60	-56.27
CCCN(CCC)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650347	0	46	-1.0	-59.49	378.19	5.39	-54.10
COC1=CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300007650348	0	41	-1.0	-61.20	364.91	6.70	-54.50
COC1=CC(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300007650349	0	41	-1.0	-63.01	360.02	6.45	-56.56
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650350	0	44	-1.0	-63.60	382.00	7.58	-56.02
COC1=CC(CNS(=O)(=O)C2=CC=C(CC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007650351	0	48	-1.0	-59.97	403.19	7.81	-52.16
COCCC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650352	0	46	-1.0	-60.95	398.54	5.64	-55.31
COCCN(CCOC)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650353	0	48	-1.0	-59.36	395.74	2.34	-57.02
COC1=CC(CNS(=O)(=O)C2=CC(Cl)=CC=C2C)=CC=C1C(=O)[O-]	REAL300007650354	0	39	-1.0	-60.03	353.42	6.55	-53.48
COC1=CC(CNS(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)=CC=C1C(=O)[O-]	REAL300007650355	0	46	-1.0	-59.99	395.56	6.02	-53.97
COC1=CC(CNS(=O)(=O)C2=CC=C(OCC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007650356	0	49	-1.0	-60.44	414.93	6.85	-53.59
CCCOC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650357	0	46	-1.0	-60.51	394.82	6.16	-54.35
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1Cl	REAL300007650358	0	40	-1.0	-61.78	367.50	4.99	-56.79
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C	REAL300007650359	0	43	-1.0	-60.60	371.55	5.17	-55.43
COC1=CC(CNS(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)=CC=C1C(=O)[O-]	REAL300007650360	0	49	-1.0	-60.25	411.32	6.72	-53.53
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=C1	REAL300007650361	0	43	-1.0	-60.62	366.15	5.34	-55.28
COCCOC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650362	0	47	-1.0	-62.90	406.95	4.63	-58.27
COC1=CC(CNS(=O)(=O)CC2=CC=CC=C2F)=CC=C1C(=O)[O-]	REAL300007650363	0	39	-1.0	-65.18	351.05	5.88	-59.30
COC1=CC(CNS(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300007650364	0	44	-1.0	-66.35	373.17	7.88	-58.47
COC1=CC(CNS(=O)(=O)C2=C(C)N=C(C)S2)=CC=C1C(=O)[O-]	REAL300007650365	0	38	-1.0	-60.08	343.32	3.43	-56.65
COC1=CC(CNS(=O)(=O)C2=CSC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300007650366	0	39	-1.0	-59.56	348.06	6.04	-53.52
COC1=CC(CNS(=O)(=O)CC2CCCC2)=CC=C1C(=O)[O-]	REAL300007650367	0	42	-1.0	-62.68	348.95	5.55	-57.13
COC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1F	REAL300007650368	0	40	-1.0	-61.19	357.70	4.50	-56.69
COC1=CC(CNS(=O)(=O)C2=CSC=C2)=CC=C1C(=O)[O-]	REAL300007650369	0	33	-1.0	-59.23	313.08	4.03	-55.20
COC1=CC(CNS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300007650370	0	46	-1.0	-61.81	396.18	8.54	-53.27
COC1=CC(CNS(=O)(=O)CC2CCCCC2)=CC=C1C(=O)[O-]	REAL300007650371	0	45	-1.0	-61.91	364.69	6.26	-55.65
COC1=CC(CNS(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300007650372	0	44	-1.0	-63.02	375.56	6.91	-56.11
CNC(=O)C1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=CN1C	REAL300007650373	0	44	-1.0	-65.22	385.86	2.78	-62.44
COC1=CC(C)=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=C1	REAL300007650374	0	46	-1.0	-59.40	374.08	5.78	-53.62
COC1=CC(C)=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C	REAL300007650375	0	46	-1.0	-60.68	386.23	6.07	-54.61
COC1=CC(CNS(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=CC=C1C(=O)[O-]	REAL300007650376	0	44	-1.0	-60.29	369.25	6.38	-53.91
COC1=CC(CNS(=O)(=O)C2=CC=CC3=CN=CC=C32)=CC=C1C(=O)[O-]	REAL300007650377	0	41	-1.0	-63.47	358.30	5.69	-57.78
CCN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C([N+](=O)[O-])=N1	REAL300007650378	0	41	-1.0	-67.84	372.00	6.02	-61.82
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C(OC)=C2)C([N+](=O)[O-])=N1	REAL300007650378	1	40	-2.0	-110.27	370.06	5.64	-104.63
CCC(=O)C1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650379	0	44	-1.0	-67.79	385.06	6.40	-61.39
COC1=CC(CNS(=O)(=O)N(C)C2CC2)=CC=C1C(=O)[O-]	REAL300007650380	0	38	-1.0	-59.10	327.32	3.78	-55.32
COC1=CC(CNS(=O)(=O)C2=CN=C3NC=CC=C23)=CC=C1C(=O)[O-]	REAL300007650381	0	39	-1.0	-71.71	350.18	4.33	-67.38
COC1=CC(CNS(=O)(=O)CC2=CC=CC(C)=C2)=CC=C1C(=O)[O-]	REAL300007650382	0	42	-1.0	-64.53	367.15	6.51	-58.02
COC1=CC(CNS(=O)(=O)CC2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300007650383	0	39	-1.0	-65.58	352.15	5.91	-59.67
COC1=CC(CNS(=O)(=O)CC2=CC=CC=C2C)=CC=C1C(=O)[O-]	REAL300007650384	0	42	-1.0	-63.95	361.41	6.43	-57.52
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650385	0	46	-1.0	-60.89	385.77	6.55	-54.34
COC1=CC(CNS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=CC=C1C(=O)[O-]	REAL300007650386	0	41	-1.0	-72.12	370.26	5.31	-66.81
COC1=CC(CNS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300007650387	0	43	-1.0	-63.46	382.55	6.25	-57.21
COCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650388	0	36	-1.0	-62.66	319.50	1.89	-60.77
COC1=CC(CNS(=O)(=O)C2=CC=CC3=C2CCCC3)=CC=C1C(=O)[O-]	REAL300007650389	0	46	-1.0	-59.38	377.65	7.81	-51.57
COC1=CC(CNS(=O)(=O)C2=CC=C3COCC3=C2)=CC=C1C(=O)[O-]	REAL300007650390	0	41	-1.0	-60.93	357.96	4.43	-56.50
COC1=CC(CNS(=O)(=O)CC2=CC=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300007650391	0	44	-1.0	-68.54	385.63	6.39	-62.15
COC1=CC(CNS(=O)(=O)C2CCS(=O)(=O)CC2)=CC=C1C(=O)[O-]	REAL300007650392	0	42	-1.0	-74.46	365.92	1.58	-72.88
COC1=CC(CNS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=CC=C1C(=O)[O-]	REAL300007650393	0	41	-1.0	-68.40	370.24	5.31	-63.09
CCOC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=C1	REAL300007650394	0	46	-1.0	-60.45	388.04	6.26	-54.19
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300007650395	0	40	-1.0	-61.38	352.27	5.24	-56.14
COC1=CC(CNS(=O)(=O)C2=CC=C(SC)C=C2)=CC=C1C(=O)[O-]	REAL300007650396	0	40	-1.0	-60.62	362.17	6.15	-54.47
CCCCCCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650397	0	47	-1.0	-63.03	393.32	6.73	-56.30
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650398	0	47	-1.0	-61.93	390.40	6.89	-55.04
CCN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)N=C1C	REAL300007650399	0	42	-1.0	-66.14	367.53	4.92	-61.22
COC1=CC(CNS(=O)(=O)C2=CC=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300007650400	0	42	-1.0	-61.46	356.49	4.69	-56.77
COC1=CC(CNS(=O)(=O)C2=CC=CC3=NC=CC=C32)=CC=C1C(=O)[O-]	REAL300007650401	0	41	-1.0	-62.02	358.11	5.59	-56.43
COC1=CC(CNS(=O)(=O)CC2CCCO2)=CC=C1C(=O)[O-]	REAL300007650402	0	40	-1.0	-65.54	341.44	3.46	-62.08
COC1=CC(CNS(=O)(=O)CC2CCCCO2)=CC=C1C(=O)[O-]	REAL300007650403	0	43	-1.0	-64.72	359.92	4.15	-60.57
COC1=CC(CNS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC=C1C(=O)[O-]	REAL300007650404	0	45	-1.0	-63.52	386.81	6.73	-56.79
COC1=CC(CNS(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)=CC=C1C(=O)[O-]	REAL300007650405	0	44	-1.0	-63.27	388.30	4.86	-58.41
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650406	0	43	-1.0	-63.99	390.64	5.73	-58.26
COCC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650407	0	43	-1.0	-61.64	377.05	4.85	-56.79
COC1=CC(CNS(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=CC=C1C(=O)[O-]	REAL300007650408	0	47	-1.0	-61.44	389.79	6.28	-55.16
CCN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300007650409	0	39	-1.0	-63.04	348.06	3.70	-59.34
COC1=CC(CNS(=O)(=O)CC2=CC=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300007650410	0	39	-1.0	-63.61	359.30	6.28	-57.33
COC1=CC(CNS(=O)(=O)N(C)C(C)C2CC2)=CC=C1C(=O)[O-]	REAL300007650411	0	44	-1.0	-59.68	362.80	5.12	-54.56
COC1=CC(CNS(=O)(=O)C2=CC=NN2C)=CC=C1C(=O)[O-]	REAL300007650412	0	36	-1.0	-60.54	322.22	2.76	-57.78
COC1=CC(CNS(=O)(=O)CC2CCOC2)=CC=C1C(=O)[O-]	REAL300007650413	0	40	-1.0	-64.43	338.08	3.05	-61.38
COC1=CC(CNS(=O)(=O)C2=CC=C3OC(C)CC3=C2)=CC=C1C(=O)[O-]	REAL300007650414	0	44	-1.0	-61.11	379.04	5.74	-55.37
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650415	0	48	-1.0	-58.43	379.30	8.33	-50.10
CCCCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650416	0	41	-1.0	-63.11	350.32	5.17	-57.94
COCCN(C)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650417	0	41	-1.0	-60.70	350.94	2.44	-58.26
COC1=CC(CNS(=O)(=O)N(C)CC2CC2)=CC=C1C(=O)[O-]	REAL300007650418	0	41	-1.0	-59.12	342.44	4.34	-54.78
COC1=CC(CNS(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007650419	0	39	-1.0	-64.49	361.66	4.09	-60.40
COC1=CC(CNS(=O)(=O)C2=C(C)OC(C)=C2)=CC=C1C(=O)[O-]	REAL300007650420	0	39	-1.0	-60.97	346.76	4.65	-56.32
COC1=CC(CNS(=O)(=O)C2=CC(C)=CS2)=CC=C1C(=O)[O-]	REAL300007650421	0	36	-1.0	-59.56	335.55	4.79	-54.77
COC1=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300007650422	0	39	-1.0	-61.91	351.74	5.51	-56.40
COC1=CC(CNS(=O)(=O)C2=CC=C3OCOC3=C2)=CC=C1C(=O)[O-]	REAL300007650423	0	39	-1.0	-62.43	348.03	3.79	-58.64
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300007650424	0	39	-1.0	-60.84	349.16	1.81	-59.03
COC1=CC(CNS(=O)(=O)C2=CC=CO2)=CC=C1C(=O)[O-]	REAL300007650425	0	33	-1.0	-60.73	304.67	3.12	-57.61
COC1=CC(CNS(=O)(=O)C2=CN=C3CCCN23)=CC=C1C(=O)[O-]	REAL300007650426	0	40	-1.0	-65.52	344.00	4.33	-61.19
COC1=CC(CNS(=O)(=O)C2=COC=C2)=CC=C1C(=O)[O-]	REAL300007650427	0	33	-1.0	-61.89	304.51	3.01	-58.88
COC1=CC(CNS(=O)(=O)C2=C(C)C=CS2)=CC=C1C(=O)[O-]	REAL300007650428	0	36	-1.0	-60.12	328.56	4.63	-55.49
COC1=CC(CNS(=O)(=O)C2=CC=C3OCCCC3=C2)=CC=C1C(=O)[O-]	REAL300007650429	0	44	-1.0	-60.71	375.68	5.76	-54.95
COC1=CC(CNS(=O)(=O)C2CC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300007650430	0	43	-1.0	-63.17	361.04	6.70	-56.47
COC1=CC(CNS(=O)(=O)C2CCOC2)=CC=C1C(=O)[O-]	REAL300007650431	0	37	-1.0	-64.25	320.17	2.24	-62.01
COC1=CC(CNS(=O)(=O)C2=CNC=N2)=CC=C1C(=O)[O-]	REAL300007650432	0	33	-1.0	-66.88	303.29	2.51	-64.37
COC1=CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=CC=C1C(=O)[O-]	REAL300007650433	0	41	-1.0	-61.57	366.20	6.31	-55.26
COC1=CC(CNS(=O)(=O)CCCF)=CC=C1C(=O)[O-]	REAL300007650434	0	35	-1.0	-65.87	313.92	3.75	-62.12
COC1=CC(CNS(=O)(=O)CCCCF)=CC=C1C(=O)[O-]	REAL300007650435	0	38	-1.0	-64.49	335.42	4.53	-59.96
COC1=CC(CNS(=O)(=O)C2=CN(C)N=C2C)=CC=C1C(=O)[O-]	REAL300007650436	0	39	-1.0	-63.00	346.96	3.41	-59.59
COC1=CC(CNS(=O)(=O)C2=CC=C(C)O2)=CC=C1C(=O)[O-]	REAL300007650437	0	36	-1.0	-60.80	326.58	3.95	-56.85
COC1=CC(CNS(=O)(=O)C2=C(C)C=NN2C)=CC=C1C(=O)[O-]	REAL300007650438	0	39	-1.0	-59.79	338.86	3.59	-56.20
COC1=CC(CNS(=O)(=O)C2=CN=C3C=CSC3=C2)=CC=C1C(=O)[O-]	REAL300007650439	0	38	-1.0	-61.81	353.98	4.61	-57.20
COC1=CC(CNS(=O)(=O)C2=CC=C(N(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300007650440	0	44	-1.0	-61.25	373.49	5.54	-55.71
COC1=CC(CNS(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)=CC=C1C(=O)[O-]	REAL300007650441	0	45	-1.0	-61.17	389.28	8.06	-53.11
COC1=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)SC=C1	REAL300007650442	0	37	-1.0	-64.44	339.99	3.27	-61.17
C=CCCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650443	0	39	-1.0	-63.65	341.64	4.95	-58.70
COC1=CC(CNS(=O)(=O)C2=CC=CC(N(C)C)=C2)=CC=C1C(=O)[O-]	REAL300007650444	0	44	-1.0	-61.13	374.51	5.54	-55.59
COC1=CC(CNS(=O)(=O)CC2CCC2)=CC=C1C(=O)[O-]	REAL300007650445	0	39	-1.0	-62.17	334.06	4.91	-57.26
COC1=CC(CNS(=O)(=O)C2=CC=CC3=C2OCC3)=CC=C1C(=O)[O-]	REAL300007650446	0	41	-1.0	-61.50	351.68	5.00	-56.50
COC1=CC(CNS(=O)(=O)CC2=NOC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300007650447	0	41	-1.0	-70.07	369.09	5.19	-64.88
COC1=CC(CNS(=O)(=O)C2=CC=C3CCOC3=C2)=CC=C1C(=O)[O-]	REAL300007650448	0	41	-1.0	-62.50	357.79	4.98	-57.52
COC1=CC(CNS(=O)(=O)CCC2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300007650449	0	42	-1.0	-64.07	383.96	7.16	-56.91
COC1=CC(CNS(=O)(=O)C2=CC=C3CCCN(C)C3=C2)=CC=C1C(=O)[O-]	REAL300007650450	0	48	-1.0	-60.51	396.21	5.68	-54.83
COC1=CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300007650451	0	38	-1.0	-61.08	356.70	4.37	-56.71
COC1=CC(CNS(=O)(=O)C2=C(OC)C=CC=C2OC)=CC=C1C(=O)[O-]	REAL300007650452	0	44	-1.0	-64.20	375.94	5.64	-58.56
COC1=CC(CNS(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300007650453	0	44	-1.0	-61.58	380.81	7.20	-54.38
COC1=CC(CNS(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007650454	0	44	-1.0	-67.46	378.15	8.10	-59.36
COC1=CC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300007650455	0	44	-1.0	-64.05	380.90	7.21	-56.84
COC1=CC=C(CCS(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650456	0	46	-1.0	-65.03	396.74	5.94	-59.09
COC1=CN=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650457	0	39	-1.0	-61.15	346.56	2.60	-58.55
COC1=CC(CNS(=O)(=O)C2=CC=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300007650458	0	45	-1.0	-58.81	394.98	6.78	-52.03
COC1=CC(CNS(=O)(=O)C2=CC=C(C3CC3)C=C2)=CC=C1C(=O)[O-]	REAL300007650459	0	43	-1.0	-60.02	371.21	7.24	-52.78
COC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=CC(OC)=C1	REAL300007650460	0	44	-1.0	-61.87	380.97	3.74	-58.13
COC1=CC(CNS(=O)(=O)CCC2CCCCC2)=CC=C1C(=O)[O-]	REAL300007650461	0	48	-1.0	-62.98	388.02	6.80	-56.18
COC1=CC(CNS(=O)(=O)CCC2=CC=C(C)C=C2)=CC=C1C(=O)[O-]	REAL300007650462	0	45	-1.0	-63.46	388.63	7.32	-56.14
COC1=CC(CNS(=O)(=O)C2=CC3=C(C=C2C)OCO3)=CC=C1C(=O)[O-]	REAL300007650463	0	42	-1.0	-61.10	362.69	4.70	-56.40
COC1=CC(CNS(=O)(=O)C2=C3OC=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300007650464	0	39	-1.0	-61.88	344.09	5.33	-56.55
COC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1Cl	REAL300007650465	0	40	-1.0	-60.36	367.51	4.99	-55.37
COC1=CC(CNS(=O)(=O)CCC2CCCC2)=CC=C1C(=O)[O-]	REAL300007650466	0	45	-1.0	-62.95	371.54	6.22	-56.73
COC1=CC(CNS(=O)(=O)C2=CC=C3C(=C2)N=CN3C)=CC=C1C(=O)[O-]	REAL300007650467	0	42	-1.0	-67.03	370.26	6.47	-60.56
COC1=CC(CNS(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300007650468	0	44	-1.0	-66.19	370.39	6.66	-59.53
COC1=CC(CNS(=O)(=O)C2=CC=C3N=C(C)OC3=C2)=CC=C1C(=O)[O-]	REAL300007650469	0	41	-1.0	-62.92	365.63	2.79	-60.13
CCC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1CC	REAL300007650470	0	48	-1.0	-59.57	399.04	7.70	-51.87
COC1=CC(CNS(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)=CC=C1C(=O)[O-]	REAL300007650471	0	44	-1.0	-59.68	372.90	7.15	-52.53
COC1=CC(CNS(=O)(=O)C2=C(C)C=C(C)C=C2OC)=CC=C1C(=O)[O-]	REAL300007650472	0	46	-1.0	-61.87	380.96	6.69	-55.18
COC1=CC(CNS(=O)(=O)C2=CC(C)=C(C)S2)=CC=C1C(=O)[O-]	REAL300007650473	0	39	-1.0	-59.71	354.94	5.52	-54.19
COC1=CC(CNS(=O)(=O)C2=CC(Cl)=CN=C2N)=CC=C1C(=O)[O-]	REAL300007650474	0	37	-1.0	-59.38	344.16	3.01	-56.37
COC1=CC(CNS(=O)(=O)C2=CN=C(C)S2)=CC=C1C(=O)[O-]	REAL300007650475	0	35	-1.0	-60.40	330.51	2.96	-57.44
CCC1=NC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300007650476	0	38	-1.0	-60.00	351.99	3.71	-56.29
COC1=CC(C[N-]S(=O)(=O)C2=C(C)ON=C2N)=CC=C1C(=O)[O-]	REAL300007650477	0	36	-2.0	-97.83	327.28	2.12	-95.71
COC1=CC(CNS(=O)(=O)C2=C(C)ON=C2N)=CC=C1C(=O)[O-]	REAL300007650477	1	37	-1.0	-59.58	329.52	2.50	-57.08
COC1=CC(CNS(=O)(=O)C2=CC=C(N(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300007650478	0	43	-1.0	-61.96	370.76	4.94	-57.02
COC1=CC(CNS(=O)(=O)C2=C(C)C=C(C)S2)=CC=C1C(=O)[O-]	REAL300007650479	0	39	-1.0	-59.91	350.47	5.43	-54.48
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CC=C1C(=O)[O-]	REAL300007650480	0	42	-1.0	-62.75	353.60	6.39	-56.36
COC1=CC(CNS(=O)(=O)C2=CC=CC3=C2OCO3)=CC=C1C(=O)[O-]	REAL300007650481	0	39	-1.0	-61.31	342.33	3.69	-57.62
COC1=CC(CNS(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300007650482	0	42	-1.0	-59.32	369.01	6.47	-52.85
COC1=CC(CNS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300007650483	0	43	-1.0	-64.55	377.98	4.89	-59.66
COC1=CC(CNS(=O)(=O)CCCOCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007650484	0	49	-1.0	-66.86	422.77	6.69	-60.17
COC1=CC(CNS(=O)(=O)C2=CNC3=CC=CC(F)=C32)=CC=C1C(=O)[O-]	REAL300007650485	0	40	-1.0	-66.52	360.45	5.19	-61.33
COC1=CC(CNS(=O)(=O)C2=C3N=CSC3=CC=C2)=CC=C1C(=O)[O-]	REAL300007650486	0	38	-1.0	-62.44	346.32	4.89	-57.55
COC1=CC(CNS(=O)(=O)C2=CC=C(C)N=C2)=CC=C1C(=O)[O-]	REAL300007650487	0	38	-1.0	-60.76	338.58	3.96	-56.80
COC1=CC(CNS(=O)(=O)CC2=CSC(C)=N2)=CC=C1C(=O)[O-]	REAL300007650488	0	38	-1.0	-66.00	352.34	3.52	-62.48
COC1=CC(CNS(=O)(=O)CC(OC)C2CC2)=CC=C1C(=O)[O-]	REAL300007650489	0	43	-1.0	-64.47	363.59	4.87	-59.60
COC1=CC(CNS(=O)(=O)CC2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300007650490	0	39	-1.0	-64.76	362.47	6.37	-58.39
COC1=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C)=C2)=CC=C1C(=O)[O-]	REAL300007650491	0	39	-1.0	-59.51	357.46	6.23	-53.28
COC1=CC(CNS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC=C1C(=O)[O-]	REAL300007650492	0	42	-1.0	-65.98	370.07	6.12	-59.86
COC1=CC(CNS(=O)(=O)C2=CC=CC3=C2OCCC3)=CC=C1C(=O)[O-]	REAL300007650493	0	44	-1.0	-61.46	365.34	6.32	-55.14
COC1=CC(CNS(=O)(=O)C2=CC=CC3=C2OCCCO3)=CC=C1C(=O)[O-]	REAL300007650494	0	45	-1.0	-60.35	375.93	5.45	-54.90
COC1=CC(CNS(=O)(=O)CC2=CC(F)=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300007650495	0	39	-1.0	-63.33	365.62	6.35	-56.98
CCC1(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300007650496	0	39	-1.0	-60.87	331.67	5.32	-55.55
CCC(C)OC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650497	0	49	-1.0	-61.82	412.01	6.79	-55.03
COC1=CC(CNS(=O)(=O)CC(OC)C2CCCC2)=CC=C1C(=O)[O-]	REAL300007650498	0	49	-1.0	-62.45	394.83	5.52	-56.93
COC1=CC(CNS(=O)(=O)CC(OC)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300007650499	0	52	-1.0	-63.30	414.75	5.89	-57.41
COC1=CC(CNS(=O)(=O)C2COC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300007650500	0	43	-1.0	-62.19	355.15	3.51	-58.68
CCOC(CS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1)C1CC1	REAL300007650501	0	46	-1.0	-63.35	386.07	5.44	-57.91
CCC1=NC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=CN1CC1CC1	REAL300007650502	0	49	-1.0	-65.75	416.10	6.91	-58.84
COC1=CC(CNS(=O)(=O)C2=CN=C(C3CC3)S2)=CC=C1C(=O)[O-]	REAL300007650503	0	39	-1.0	-59.93	361.73	4.64	-55.29
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300007650504	0	44	-1.0	-62.90	385.93	7.49	-55.41
COC1=CC(CNS(=O)(=O)C2=C(C3CC3)C=NN2C)=CC=C1C(=O)[O-]	REAL300007650505	0	43	-1.0	-59.13	368.56	5.01	-54.12
COC1=CC(CNS(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=CC=C1C(=O)[O-]	REAL300007650506	0	39	-1.0	-60.02	363.59	3.75	-56.27
COC1=CC(CNS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=CC=C1C(=O)[O-]	REAL300007650507	0	46	-1.0	-62.58	388.07	8.53	-54.05
CCC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C(C)C=C1OC	REAL300007650508	0	49	-1.0	-60.56	407.86	6.82	-53.74
COC1=CC(CNS(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007650509	0	38	-1.0	-67.28	349.08	4.13	-63.15
COC1=CC(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007650509	1	37	-2.0	-116.61	348.10	3.65	-112.96
COC1=CC(CNS(=O)(=O)C2=C(C)C=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300007650510	0	45	-1.0	-59.94	372.72	8.19	-51.75
COC1=CC(CNS(=O)(=O)C2=CC=C(OC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300007650511	0	45	-1.0	-60.84	391.16	3.69	-57.15
COC1=CC(CNS(=O)(=O)C2=CC=CC(F)=C2OC)=CC=C1C(=O)[O-]	REAL300007650512	0	40	-1.0	-60.53	356.41	5.13	-55.40
COC1=CC(CNS(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300007650513	0	48	-1.0	-59.37	400.20	7.39	-51.98
COC1=CC(CNS(=O)(=O)C2=C3CCCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300007650514	0	46	-1.0	-59.60	380.96	5.16	-54.44
COC1=CC(CNS(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300007650515	0	48	-1.0	-64.95	392.65	5.40	-59.55
COC1=CC(CNS(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300007650516	0	46	-1.0	-61.41	389.39	5.48	-55.93
COC1=CC(CNS(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=CC=C1C(=O)[O-]	REAL300007650517	0	39	-1.0	-58.51	348.26	3.72	-54.79
COC1=CC=C(F)C=C1CS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650518	0	43	-1.0	-64.51	380.32	5.28	-59.23
C=CCCC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650519	0	46	-1.0	-60.20	399.18	7.91	-52.29
CCC1=NN(C)C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650520	0	42	-1.0	-62.60	367.65	4.15	-58.45
COC1=CC(CNS(=O)(=O)C=CC2=CC=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300007650521	0	40	-1.0	-61.87	370.62	6.83	-55.04
COC1=CC(CNS(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=CC=C1C(=O)[O-]	REAL300007650522	0	42	-1.0	-57.72	361.39	7.00	-50.72
COC1=CC(CNS(=O)(=O)CCCC2CC2)=CC=C1C(=O)[O-]	REAL300007650523	0	42	-1.0	-63.41	360.44	5.96	-57.45
COC1=CC(CNS(=O)(=O)C=CC2=CC=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300007650524	0	40	-1.0	-62.73	368.13	6.74	-55.99
CCCC1=CC=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650525	0	45	-1.0	-59.77	375.06	7.67	-52.10
COC1=CC(CNS(=O)(=O)C2=CC=CN=C2OC)=CC=C1C(=O)[O-]	REAL300007650526	0	39	-1.0	-61.24	340.31	2.34	-58.90
COC1=CC(CNS(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC=C1C(=O)[O-]	REAL300007650527	0	41	-1.0	-64.28	358.15	5.68	-58.60
COC1=CC(CNS(=O)(=O)C2=CN=C(C)N2C)=CC=C1C(=O)[O-]	REAL300007650528	0	39	-1.0	-63.35	344.28	4.00	-59.35
COC1=CC(CNS(=O)(=O)C2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300007650529	0	35	-1.0	-63.70	317.81	3.24	-60.46
COC1=CC(CNS(=O)(=O)C2=C(C)SC=C2C)=CC=C1C(=O)[O-]	REAL300007650530	0	39	-1.0	-58.32	345.42	5.83	-52.49
COC1=CC(CNS(=O)(=O)C2=CN(C3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300007650531	0	43	-1.0	-61.52	371.88	4.81	-56.71
COC1=CC(CNS(=O)(=O)C2=CC=NN2C2CCC2)=CC=C1C(=O)[O-]	REAL300007650532	0	43	-1.0	-59.07	369.27	5.02	-54.05
COC1=CC(CNS(=O)(=O)C2=CC=NN2CC2CCC2)=CC=C1C(=O)[O-]	REAL300007650533	0	46	-1.0	-59.13	391.39	5.73	-53.40
COC1=CC(CNS(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=CC=C1C(=O)[O-]	REAL300007650534	0	47	-1.0	-62.44	392.90	3.17	-59.27
COC1=CC(CNS(=O)(=O)C2=CN=C3CCCCN23)=CC=C1C(=O)[O-]	REAL300007650535	0	43	-1.0	-61.72	362.93	5.09	-56.63
COC1=CC(CNS(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300007650536	0	46	-1.0	-60.72	386.80	6.48	-54.24
COC1=CC(CNS(=O)(=O)C2=CC=CC3=C2OC(C)C3)=CC=C1C(=O)[O-]	REAL300007650537	0	44	-1.0	-61.53	369.23	5.64	-55.89
COC1=CC(CNS(=O)(=O)C2=CN=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300007650538	0	44	-1.0	-59.67	390.65	4.80	-54.87
COC1=CC(CNS(=O)(=O)C2=C3N=CC=CN3N=C2C)=CC=C1C(=O)[O-]	REAL300007650539	0	41	-1.0	-67.18	362.67	4.74	-62.44
CCN1N=NC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650540	0	38	-1.0	-60.76	337.88	2.39	-58.37
COC1=CC(CNS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)=CC=C1C(=O)[O-]	REAL300007650541	0	45	-1.0	-58.85	365.63	5.02	-53.83
COC1=CC(CNS(=O)(=O)C2=CC3=NON=C3C=C2)=CC=C1C(=O)[O-]	REAL300007650542	0	37	-1.0	-60.74	336.87	3.91	-56.83
COC1=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3S2)=CC=C1C(=O)[O-]	REAL300007650543	0	39	-1.0	-60.30	360.84	6.55	-53.75
COC1=CC(CNS(=O)(=O)C2=CC(C3CC3)=NN2C)=CC=C1C(=O)[O-]	REAL300007650544	0	43	-1.0	-61.97	367.80	4.63	-57.34
COC1=CC(CNS(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=CC=C1C(=O)[O-]	REAL300007650545	0	45	-1.0	-58.26	370.12	7.16	-51.10
COC1=CC(CNS(=O)(=O)C2=CC=CC(OC)=C2OC)=CC=C1C(=O)[O-]	REAL300007650546	0	44	-1.0	-61.53	379.41	4.93	-56.60
COC1=CC(CNS(=O)(=O)C2=COC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300007650547	0	39	-1.0	-60.86	344.97	5.09	-55.77
COC1=CC(CNS(=O)(=O)C2=CN(C)N=C2C2CCCC2)=CC=C1C(=O)[O-]	REAL300007650548	0	49	-1.0	-61.18	396.49	5.41	-55.77
COC1=CC(CNS(=O)(=O)C2=C(C)N(C(C)C)N=C2C)=CC=C1C(=O)[O-]	REAL300007650549	0	48	-1.0	-61.79	401.16	5.74	-56.05
CCCCN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=N1	REAL300007650550	0	48	-1.0	-62.37	412.14	5.83	-56.54
COC1=CC(CNS(=O)(=O)C2=CN(C)N=C2C2CC2)=CC=C1C(=O)[O-]	REAL300007650551	0	43	-1.0	-61.99	365.62	4.51	-57.48
COC1=CC(CNS(=O)(=O)C2=CC=C(OC(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300007650552	0	40	-1.0	-62.36	361.24	4.71	-57.65
COC1=CC(CNS(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=CC=C1C(=O)[O-]	REAL300007650553	0	41	-1.0	-67.19	360.32	3.55	-63.64
COC1=CC(CNS(=O)(=O)N2CCCC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300007650554	0	47	-1.0	-59.41	376.48	5.54	-53.87
COC1=CC(CNS(=O)(=O)C2=CN(C)N=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300007650555	0	46	-1.0	-61.13	379.43	4.92	-56.21
COC1=CC(CNS(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC=C1C(=O)[O-]	REAL300007650556	0	46	-1.0	-63.18	395.98	5.77	-57.41
COC1=CC(CNS(=O)(=O)C2=C(C3CC3)C=CS2)=CC=C1C(=O)[O-]	REAL300007650557	0	40	-1.0	-60.27	353.56	6.11	-54.16
CCCC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650558	0	45	-1.0	-59.86	386.37	7.34	-52.52
COC1=CC(CNS(=O)(=O)C2=C3CCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300007650559	0	43	-1.0	-60.94	367.70	4.65	-56.29
COC1=CC(CNS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)=CC=C1C(=O)[O-]	REAL300007650560	0	42	-1.0	-59.82	350.13	4.54	-55.28
COC1=CC(CNS(=O)(=O)C2=C(C)C=CC=C2C)=CC=C1C(=O)[O-]	REAL300007650561	0	42	-1.0	-59.04	351.81	6.84	-52.20
COC1=CC(CNS(=O)(=O)C2=CC=NN2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300007650562	0	45	-1.0	-59.90	366.35	4.81	-55.09
COC1=CC(CNS(=O)(=O)C2=CN(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300007650563	0	45	-1.0	-62.39	386.48	4.84	-57.55
COC1=CC(CNS(=O)(=O)C2=CNN=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300007650564	0	43	-1.0	-60.86	356.36	3.60	-57.26
COC1=CC(CNS(=O)(=O)C2=CC(C)=NN2C)=CC=C1C(=O)[O-]	REAL300007650565	0	39	-1.0	-60.53	344.16	3.34	-57.19
COC1=CC(CNS(=O)(=O)C2=CC=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300007650566	0	42	-1.0	-59.52	354.24	6.59	-52.93
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650567	0	47	-1.0	-67.55	406.56	7.16	-60.39
COC1=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3CCC2)=CC=C1C(=O)[O-]	REAL300007650568	0	47	-1.0	-60.78	390.66	8.20	-52.58
COC1=CC(CNS(=O)(=O)N2CC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300007650569	0	42	-1.0	-59.78	364.43	5.58	-54.20
COC1=CC(CNS(=O)(=O)N(C)C2CCC2)=CC=C1C(=O)[O-]	REAL300007650570	0	41	-1.0	-59.96	340.04	4.19	-55.77
COC1=CC(CNS(=O)(=O)CC2=NOC3=C2COCC3)=CC=C1C(=O)[O-]	REAL300007650571	0	43	-1.0	-67.52	375.05	3.49	-64.03
COC1=CC(CNC(=O)N2CCC(F)(F)CC2)=CC=C1C(=O)[O-]	REAL300007650572	0	40	-1.0	-55.77	331.30	7.18	-48.59
COC1=CC(CNS(=O)(=O)C2=CSC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007650573	0	36	-1.0	-61.32	341.29	5.52	-55.80
COC1=CC(CNS(=O)(=O)C2=CC=CC(C3CC3)=C2)=CC=C1C(=O)[O-]	REAL300007650574	0	43	-1.0	-60.02	371.20	7.24	-52.78
COC1=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=CS1	REAL300007650575	0	37	-1.0	-60.49	337.79	3.64	-56.85
COC1=CC(CNS(=O)(=O)C2=CC=NN2C2CCCC2)=CC=C1C(=O)[O-]	REAL300007650576	0	46	-1.0	-60.67	388.52	5.58	-55.09
CCC(C)N1N=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650577	0	45	-1.0	-59.73	381.93	5.01	-54.72
COC1=CC(CNS(=O)(=O)N(C)C(C)(C)C)=CC=C1C(=O)[O-]	REAL300007650578	0	43	-1.0	-59.63	348.14	4.63	-55.00
CCC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300007650579	0	39	-1.0	-60.55	348.06	4.73	-55.82
COC1=CC(CNS(=O)(=O)N(C)C2CCCCCC2)=CC=C1C(=O)[O-]	REAL300007650580	0	50	-1.0	-59.42	387.59	5.93	-53.49
COC1=CC(CNS(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300007650581	0	42	-1.0	-61.46	375.20	6.66	-54.80
COC1=CC(CNS(=O)(=O)C2=CC=CC(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300007650582	0	40	-1.0	-62.58	361.23	4.71	-57.87
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300007650583	0	37	-1.0	-59.49	345.77	3.58	-55.91
COC1=CC(CNS(=O)(=O)N2CCC(C(F)(F)F)CC2)=CC=C1C(=O)[O-]	REAL300007650584	0	44	-1.0	-60.90	375.59	5.12	-55.78
COC1=CC(CNS(=O)(=O)C2=CN(CCF)N=C2)=CC=C1C(=O)[O-]	REAL300007650585	0	39	-1.0	-62.51	354.66	3.83	-58.68
CCOCC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650586	0	46	-1.0	-61.63	398.90	5.82	-55.81
COC1=CC(CNS(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300007650587	0	49	-1.0	-61.28	408.37	6.08	-55.20
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2CF)=CC=C1C(=O)[O-]	REAL300007650588	0	39	-1.0	-63.26	341.81	6.22	-57.04
COC1=CC(CNS(=O)(=O)C2=CN=CC(C)=C2)=CC=C1C(=O)[O-]	REAL300007650589	0	38	-1.0	-60.37	338.43	3.98	-56.39
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300007650590	0	45	-1.0	-61.40	380.69	8.02	-53.38
COC1=CC(CNS(=O)(=O)N2CC3CC2C3)=CC=C1C(=O)[O-]	REAL300007650591	0	39	-1.0	-60.66	333.74	4.03	-56.63
COC1=CC(CNS(=O)(=O)C=CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300007650592	0	40	-1.0	-62.02	360.30	6.38	-55.64
CCOCCCS(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650593	0	42	-1.0	-65.30	362.85	3.65	-61.65
COC1=CC(CNS(=O)(=O)CCC2NC(=O)NC2=O)=CC=C1C(=O)[O-]	REAL300007650594	0	41	-1.0	-73.59	365.83	-0.98	-74.57
COC1=CC(CNS(=O)(=O)C2=CN=C3C=CC=CN23)=CC=C1C(=O)[O-]	REAL300007650595	0	39	-1.0	-63.43	347.48	5.53	-57.90
COC1=CC(CNS(=O)(=O)C2CCC(F)(F)CC2)=CC=C1C(=O)[O-]	REAL300007650596	0	42	-1.0	-64.10	357.62	5.55	-58.55
COC1=CC(CNS(=O)(=O)C2=CC=C3SC=NC3=C2)=CC=C1C(=O)[O-]	REAL300007650597	0	38	-1.0	-63.34	352.92	4.52	-58.82
COC1=CC(CNS(=O)(=O)CCOC2CCOC2)=CC=C1C(=O)[O-]	REAL300007650598	0	44	-1.0	-63.86	376.78	2.31	-61.55
COC1=CC(CNS(=O)(=O)CC2COCCO2)=CC=C1C(=O)[O-]	REAL300007650599	0	41	-1.0	-65.53	350.79	2.32	-63.21
COC1=CC(CNS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)=CC=C1C(=O)[O-]	REAL300007650600	0	53	-1.0	-61.78	398.99	8.02	-53.76
COC1=CC(CNS(=O)(=O)CCN2C=NN=N2)=CC=C1C(=O)[O-]	REAL300007650601	0	37	-1.0	-70.41	336.77	3.00	-67.41
COC1=CC(CNS(=O)(=O)CC2CC(C)(C)CO2)=CC=C1C(=O)[O-]	REAL300007650602	0	46	-1.0	-65.20	382.56	4.31	-60.89
COC1=CC(CNS(=O)(=O)CC2CS(=O)(=O)C2)=CC=C1C(=O)[O-]	REAL300007650603	0	39	-1.0	-72.75	352.98	0.81	-71.94
COC1=CC(CNS(=O)(=O)CC(C)(C)C(C)(F)F)=CC=C1C(=O)[O-]	REAL300007650604	0	44	-1.0	-61.29	360.98	5.59	-55.70
COC1=CC(CNS(=O)(=O)CCCCS(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300007650605	0	44	-1.0	-73.84	392.47	1.94	-71.90
COC1=CC(CNS(=O)(=O)CC2CCC(C)(C)CO2)=CC=C1C(=O)[O-]	REAL300007650606	0	49	-1.0	-65.02	396.27	5.49	-59.53
COC1=CC(CNS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)=CC=C1C(=O)[O-]	REAL300007650607	0	46	-1.0	-63.18	392.51	7.42	-55.76
COC1=CC(CNS(=O)(=O)CC2=CC=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300007650608	0	40	-1.0	-67.58	369.96	4.17	-63.41
COC1=CC(CNS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)=CC=C1C(=O)[O-]	REAL300007650609	0	45	-1.0	-67.75	374.60	2.57	-65.18
COCCC1(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300007650610	0	43	-1.0	-63.82	356.34	4.01	-59.81
CCN1N=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=N1	REAL300007650611	0	38	-1.0	-61.21	342.70	2.00	-59.21
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C(OC)=C2)=N1	REAL300007650611	1	37	-2.0	-104.20	340.60	1.59	-102.61
COC1=CC(CNS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)=CC=C1C(=O)[O-]	REAL300007650612	0	49	-1.0	-62.02	389.56	7.13	-54.89
COC1=CC(CNS(=O)(=O)C2=CC=C(C3CC3)S2)=CC=C1C(=O)[O-]	REAL300007650613	0	40	-1.0	-59.55	365.80	6.44	-53.11
COC1=CC=C(C=C(C)S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007650614	0	47	-1.0	-62.37	396.02	6.13	-56.24
COC1=CC(CNS(=O)(=O)[C@H]2COC[C@H]2OC)=CC=C1C(=O)[O-]	REAL300007650615	0	41	-1.0	-64.70	350.42	2.05	-62.65
COC1=CC(CNS(=O)(=O)C2=CC(C)=CO2)=CC=C1C(=O)[O-]	REAL300007650616	0	36	-1.0	-60.83	326.56	3.80	-57.03
COC1=CC(CNS(=O)(=O)C2=CC=C(C)O2)=CC=C1C(=O)[O-]	REAL300007650617	0	36	-1.0	-60.80	326.58	3.95	-56.85
CCC1=NNC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650618	0	39	-1.0	-62.06	344.69	2.83	-59.23
COC1=CSC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1OC	REAL300007650619	0	41	-1.0	-62.16	366.78	3.45	-58.71
COC1=CC(CNS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)=CC=C1C(=O)[O-]	REAL300007650620	0	48	-1.0	-59.84	382.44	5.59	-54.25
COC1=CC(CNS(=O)(=O)N(C)CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007650621	0	47	-1.0	-61.80	401.93	7.04	-54.76
COC1=CC(F)=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C(F)=C1	REAL300007650622	0	40	-1.0	-61.14	359.96	4.71	-56.43
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C(OC)=C2)C(F)=C1	REAL300007650622	1	39	-2.0	-107.52	357.72	4.32	-103.20
COC1=CC(CNS(=O)(=O)C2=C3C=CC=CC3=NN2C)=CC=C1C(=O)[O-]	REAL300007650623	0	42	-1.0	-61.06	366.40	5.07	-55.99
COC1=CC(CNS(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=CC=C1C(=O)[O-]	REAL300007650624	0	43	-1.0	-63.08	375.69	6.89	-56.19
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2C(C)(F)F)=CC=C1C(=O)[O-]	REAL300007650625	0	42	-1.0	-64.69	358.89	7.14	-57.55
C=C(C)COC1=CC=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650626	0	47	-1.0	-62.43	405.65	6.76	-55.67
CCN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C(C2CC2)=N1	REAL300007650627	0	46	-1.0	-61.46	387.26	5.37	-56.09
COC1=CC(CNS(=O)(=O)C2=C(C)C=CC3=NSN=C32)=CC=C1C(=O)[O-]	REAL300007650628	0	40	-1.0	-63.81	360.00	4.51	-59.30
COC1=CC(CNS(=O)(=O)C2=CSC(C(F)(F)F)=N2)=CC=C1C(=O)[O-]	REAL300007650629	0	35	-1.0	-63.58	349.32	3.11	-60.47
COC1=CC(CNS(=O)(=O)C2=CC(C)=NN2C2CCCC2)=CC=C1C(=O)[O-]	REAL300007650630	0	49	-1.0	-59.41	408.75	6.32	-53.09
COC1=CC(CNS(=O)(=O)C2=C(Cl)OC=C2)=CC=C1C(=O)[O-]	REAL300007650631	0	33	-1.0	-59.39	312.24	3.27	-56.12
COC1=CC(CNS(=O)(=O)C2=CC(Cl)=CS2)=CC=C1C(=O)[O-]	REAL300007650632	0	33	-1.0	-59.11	330.80	4.65	-54.46
COC1=CC(CNS(=O)(=O)C2=C3COCCC3=NN2C)=CC=C1C(=O)[O-]	REAL300007650633	0	44	-1.0	-60.30	372.67	2.80	-57.50
COC1=CC(CNS(=O)(=O)C2=CC=CC=C2C2CC2)=CC=C1C(=O)[O-]	REAL300007650634	0	43	-1.0	-60.33	364.84	7.36	-52.97
COC1=CC(CNS(=O)(=O)N2CCC(C)(C)CC2)=CC=C1C(=O)[O-]	REAL300007650635	0	47	-1.0	-58.48	372.51	5.11	-53.37
COC1=CC(CNS(=O)(=O)C2=CC(Cl)=CN=C2OC)=CC=C1C(=O)[O-]	REAL300007650636	0	39	-1.0	-58.61	357.12	2.84	-55.77
COC1=CC(CNS(=O)(=O)C2=CN=C(OC)C(C)=C2)=CC=C1C(=O)[O-]	REAL300007650637	0	42	-1.0	-60.92	369.30	2.55	-58.37
COC1=CC(CNS(=O)(=O)C2=CN(CC(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300007650638	0	45	-1.0	-62.59	389.40	5.23	-57.36
COC1=CC(CNS(=O)(=O)C2=CN(C(C)C)N=C2C)=CC=C1C(=O)[O-]	REAL300007650639	0	45	-1.0	-62.13	385.89	4.83	-57.30
COC1=CC(CNS(=O)(=O)N2CCN(CC(F)F)CC2)=CC=C1C(=O)[O-]	REAL300007650640	0	46	-1.0	-61.62	384.22	2.90	-58.72
COCC1=CC(CS(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=NO1	REAL300007650641	0	42	-1.0	-68.38	376.33	3.01	-65.37
COC1=CC(CNS(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)=CC=C1C(=O)[O-]	REAL300007650642	0	47	-1.0	-61.89	394.38	5.52	-56.37
COC1=CC(CNS(=O)(=O)C2=CC=NN2C(C)C)=CC=C1C(=O)[O-]	REAL300007650643	0	42	-1.0	-59.37	362.03	4.33	-55.04
COC1=CC(CNS(=O)(=O)C2=CC=NN2CC2CC2)=CC=C1C(=O)[O-]	REAL300007650644	0	43	-1.0	-59.75	370.85	5.29	-54.46
COC1=CC(CNS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007650645	0	43	-1.0	-62.41	373.15	6.43	-55.98
COC1=CC(CNS(=O)(=O)C2=CC=C(C(F)F)C=N2)=CC=C1C(=O)[O-]	REAL300007650646	0	38	-1.0	-63.65	350.17	4.05	-59.60
COC1=CC(CNS(=O)(=O)N2CCC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300007650647	0	41	-1.0	-63.29	357.08	5.52	-57.77
COC1=CC(CNS(=O)(=O)C2=C(C)N(C(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300007650648	0	45	-1.0	-62.85	385.23	4.93	-57.92
COC1=CC(CNS(=O)(=O)C2=NC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300007650649	0	41	-1.0	-63.03	358.58	5.63	-57.40
COC1=CC(CNS(=O)(=O)C2=NC=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300007650650	0	41	-1.0	-61.35	354.48	4.72	-56.63
COC1=CC(CNS(=O)(=O)C2=CC=NC=C2C)=CC=C1C(=O)[O-]	REAL300007650651	0	38	-1.0	-60.32	332.38	4.23	-56.09
COC1=CC(CNS(=O)(=O)N(C)C2CCS(=O)(=O)C2)=CC=C1C(=O)[O-]	REAL300007650652	0	44	-1.0	-71.26	379.40	0.98	-70.28
COC1=CC(CNS(=O)(=O)N2CC3CCC(C2)O3)=CC=C1C(=O)[O-]	REAL300007650653	0	43	-1.0	-59.42	353.42	3.27	-56.15
COC1=CC(CNS(=O)(=O)N2CCC(C#N)CC2)=CC=C1C(=O)[O-]	REAL300007650654	0	42	-1.0	-66.23	360.28	4.62	-61.61
COC1=CC=NC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007650655	0	39	-1.0	-63.23	347.57	2.55	-60.68
C=CCN(CC=C)S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650656	0	42	-1.0	-59.69	362.49	5.03	-54.66
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)N=C1	REAL300007650657	0	39	-1.0	-62.77	347.40	2.50	-60.27
COC1=CC(CNS(=O)(=O)C2=NC=CC=C2C)=CC=C1C(=O)[O-]	REAL300007650658	0	38	-1.0	-61.51	333.52	4.06	-57.45
COC1=CC(CNS(=O)(=O)C2=CC=NC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300007650659	0	41	-1.0	-61.66	358.59	5.57	-56.09
CCOC1=CC=CN=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007650660	0	42	-1.0	-65.22	364.33	4.51	-60.71
COC1=CC(CNS(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300007650661	0	44	-1.0	-63.82	371.96	6.79	-57.03
COC1=CC(CNS(=O)(=O)C2=CC=NC(C)=C2)=CC=C1C(=O)[O-]	REAL300007650662	0	38	-1.0	-60.67	338.77	3.94	-56.73
COC1=CC(CNS(=O)(=O)C2=CNC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300007650663	0	40	-1.0	-62.41	348.55	4.77	-57.64
COC1=CC(CNS(=O)(=O)N2CCC(F)(F)C2)=CC=C1C(=O)[O-]	REAL300007650664	0	38	-1.0	-59.69	338.96	3.62	-56.07
COC1=CC(CNS(=O)(=O)C2=CN=CS2)=CC=C1C(=O)[O-]	REAL300007650665	0	32	-1.0	-60.65	308.56	2.25	-58.40
COC1=CC(CNS(=O)(=O)C2=CC(C(F)F)=CC=N2)=CC=C1C(=O)[O-]	REAL300007650666	0	38	-1.0	-65.55	352.20	4.15	-61.40
COC1=CC(CNS(=O)(=O)C2=CC(C)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300007650667	0	49	-1.0	-60.58	403.63	7.17	-53.41
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650668	0	43	-1.0	-53.85	346.21	6.04	-47.81
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650669	0	38	-1.0	-47.03	318.00	3.99	-43.04
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650670	0	34	-1.0	-55.80	306.07	4.98	-50.82
CC(C)C(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007650671	0	35	-1.0	-42.69	310.63	3.85	-38.84
CC(C)C(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007650672	0	37	-1.0	-59.60	328.23	0.97	-58.63
CC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007650673	0	35	-1.0	-40.95	314.87	3.30	-37.65
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OC	REAL300007650674	0	42	-1.0	-56.11	341.59	3.54	-52.57
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650675	0	34	-1.0	-52.39	301.53	4.85	-47.54
CC(C)C(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007650676	0	47	-1.0	-44.52	370.71	7.32	-37.20
CC(C)C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007650677	0	37	-1.0	-45.37	310.22	2.61	-42.76
CC(C)C(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007650678	0	31	-1.0	-54.30	285.21	4.24	-50.06
CC(C)C(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007650679	0	31	-1.0	-51.34	288.85	4.07	-47.27
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650680	0	36	-1.0	-58.84	301.69	5.79	-53.05
CC(C)C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007650681	0	37	-1.0	-55.27	329.39	5.45	-49.82
CC(C)C(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007650682	0	41	-1.0	-65.13	353.20	0.13	-65.00
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650683	0	42	-1.0	-52.81	355.44	5.38	-47.43
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007650684	0	37	-1.0	-54.02	319.77	4.08	-49.94
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650685	0	38	-1.0	-55.29	327.91	3.26	-52.03
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007650686	0	37	-1.0	-50.36	316.62	1.06	-49.30
CC(C)C(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007650687	0	40	-1.0	-66.62	351.93	1.68	-64.94
CC(C)C(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007650688	0	36	-1.0	-70.84	321.69	-0.45	-71.29
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1C	REAL300007650689	0	41	-1.0	-54.77	329.08	4.32	-50.45
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007650690	0	36	-1.0	-45.13	331.27	4.06	-41.07
CC(C)C(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007650691	0	34	-1.0	-56.47	317.76	4.85	-51.62
CC(C)C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007650692	0	36	-1.0	-45.52	310.32	3.93	-41.59
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650693	0	48	-1.0	-59.35	408.97	2.70	-56.65
CC(C)C(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007650694	0	41	-1.0	-57.70	340.74	-0.89	-58.59
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300007650695	0	40	-1.0	-57.56	344.57	4.80	-52.76
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007650696	0	40	-1.0	-51.39	324.47	3.29	-48.10
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650697	0	40	-1.0	-53.19	332.67	5.40	-47.79
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007650698	0	43	-1.0	-57.28	316.45	5.82	-51.46
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007650699	0	44	-1.0	-49.34	366.83	6.28	-43.06
CC(C)C(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007650700	0	39	-1.0	-51.68	335.82	2.95	-48.73
CC(C)C(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007650701	0	37	-1.0	-51.36	339.13	4.70	-46.66
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OC	REAL300007650702	0	39	-1.0	-53.60	342.54	3.26	-50.34
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(OC)C=C1Br	REAL300007650703	0	39	-1.0	-43.21	347.95	3.36	-39.85
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007650704	0	34	-1.0	-54.38	307.01	4.63	-49.75
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007650705	0	37	-1.0	-45.13	329.30	6.40	-38.73
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007650706	0	36	-1.0	-47.34	321.04	5.68	-41.66
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007650707	0	35	-1.0	-51.82	312.31	3.12	-48.70
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007650708	0	38	-1.0	-53.30	335.32	4.89	-48.41
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650709	0	46	-1.0	-55.32	363.44	4.49	-50.83
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007650710	0	34	-1.0	-53.66	305.02	4.38	-49.28
COCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650711	0	42	-1.0	-50.00	351.66	3.05	-46.95
CC(C)C(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007651001	0	39	-1.0	-54.58	322.45	3.92	-50.66
CC(C)C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007651002	0	36	-1.0	-58.11	313.85	3.54	-54.57
CC(C)C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007651003	0	37	-1.0	-41.64	329.43	5.50	-36.14
CC(C)C(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007651004	0	43	-1.0	-46.39	339.94	4.01	-42.38
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007651005	0	33	-1.0	-50.28	305.67	2.72	-47.56
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651006	0	39	-1.0	-62.51	323.17	4.08	-58.43
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651007	0	39	-1.0	-49.24	327.18	5.51	-43.73
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300007651008	0	39	-1.0	-47.43	321.38	6.41	-41.02
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007651009	0	39	-1.0	-60.81	328.96	5.34	-55.47
COC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007651010	0	41	-1.0	-41.98	341.61	4.28	-37.70
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007651011	0	40	-1.0	-42.77	342.34	5.20	-37.57
COC1=CC(OC)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651012	0	39	-1.0	-46.57	324.86	2.06	-44.51
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C)OCO2	REAL300007651013	0	37	-1.0	-42.62	311.17	3.13	-39.49
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300007651014	0	35	-1.0	-50.05	312.36	3.33	-46.72
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007651015	0	37	-1.0	-58.31	315.11	4.81	-53.50
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007651016	0	39	-1.0	-62.09	316.43	5.01	-57.08
CC1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2O1	REAL300007651017	0	36	-1.0	-52.67	314.53	1.18	-51.49
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1CC	REAL300007651018	0	43	-1.0	-55.38	349.88	6.10	-49.28
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651019	0	39	-1.0	-47.65	322.77	5.70	-41.95
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651020	0	41	-1.0	-56.92	325.52	4.98	-51.94
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007651021	0	32	-1.0	-39.71	290.81	1.34	-38.37
CC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007651022	0	38	-1.0	-55.10	315.67	3.27	-51.83
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007651023	0	37	-1.0	-48.49	312.84	5.37	-43.12
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007651024	0	34	-1.0	-43.60	276.07	1.88	-41.72
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC(C)=C1F	REAL300007651025	0	37	-1.0	-50.85	314.59	4.78	-46.07
CC(C)C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007651026	0	38	-1.0	-62.53	323.52	3.19	-59.34
CC(C)C(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007651027	0	44	-1.0	-40.79	364.16	4.97	-35.82
CC(C)C(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007651028	0	35	-1.0	-59.83	310.60	3.59	-56.24
CC(C)C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007651029	0	33	-1.0	-59.41	304.46	3.07	-56.34
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007651030	0	34	-1.0	-56.23	307.89	4.67	-51.56
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300007651031	0	34	-1.0	-41.66	304.35	4.60	-37.06
CC(C)C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007651032	0	37	-1.0	-65.99	320.94	4.49	-61.50
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)=N1	REAL300007651033	0	40	-1.0	-44.94	352.12	4.93	-40.01
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007651034	0	39	-1.0	-48.18	320.19	4.73	-43.45
CC(C)C(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007651035	0	38	-1.0	-61.18	332.00	1.33	-59.85
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007651036	0	40	-1.0	-49.45	327.27	3.89	-45.56
CC(C)C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007651037	0	34	-1.0	-55.29	314.43	4.77	-50.52
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007651038	0	56	-1.0	-53.66	453.15	8.47	-45.19
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651039	0	41	-1.0	-57.33	365.72	5.75	-51.58
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651040	0	44	-1.0	-53.53	360.98	5.18	-48.35
COC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C1CCCC1	REAL300007651041	0	44	-1.0	-55.60	344.54	3.75	-51.85
COC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C1CCCCC1	REAL300007651042	0	47	-1.0	-56.65	364.38	4.56	-52.09
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007651043	0	45	-1.0	-52.29	384.98	6.80	-45.49
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007651044	0	50	-1.0	-51.92	402.36	6.57	-45.35
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN1CC1CC1	REAL300007651045	0	44	-1.0	-63.73	362.81	5.27	-58.46
CC(C)C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007651046	0	34	-1.0	-42.79	305.63	3.00	-39.79
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300007651047	0	39	-1.0	-50.36	331.16	5.98	-44.38
CC(C)C(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007651048	0	38	-1.0	-51.18	316.85	3.31	-47.87
CC(C)C(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007651049	0	44	-1.0	-50.76	370.61	5.77	-44.99
CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007651050	0	34	-1.0	-47.83	314.15	2.23	-45.60
CC(C)C(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007651051	0	42	-1.0	-53.80	373.45	7.62	-46.18
CC(C)C(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007651052	0	41	-1.0	-50.92	339.80	7.03	-43.89
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC(C)=C1OCC1=CC=CC=C1	REAL300007651053	0	51	-1.0	-54.17	428.21	8.43	-45.74
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300007651054	0	44	-1.0	-55.24	353.89	5.21	-50.03
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007651055	0	37	-1.0	-49.72	338.09	5.35	-44.37
CC(C)C([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007651056	0	32	-2.0	-147.16	288.91	2.56	-144.60
CC(C)C(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007651056	1	33	-1.0	-49.43	292.98	2.43	-47.00
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300007651057	0	40	-1.0	-48.28	319.08	6.57	-41.71
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007651058	0	40	-1.0	-50.77	342.06	2.09	-48.68
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651059	0	35	-1.0	-52.70	306.98	3.69	-49.01
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007651060	0	47	-1.0	-53.94	376.81	5.72	-48.22
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007651061	0	43	-1.0	-54.40	345.74	5.70	-48.70
CC(C)C(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007651062	0	50	-1.0	-41.67	388.99	7.94	-33.73
CC(C)C(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007651063	0	41	-1.0	-45.25	322.14	3.48	-41.77
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007651064	0	43	-1.0	-57.42	339.55	3.86	-53.56
CC(C)C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007651065	0	41	-1.0	-53.54	339.16	3.88	-49.66
CC(C)C(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007651066	0	34	-1.0	-39.98	299.96	2.35	-37.63
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651067	0	38	-1.0	-58.71	325.74	3.59	-55.12
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007651068	0	41	-1.0	-53.38	348.16	6.30	-47.08
CCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007651069	0	53	-1.0	-52.73	425.79	7.38	-45.35
CC(C)C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007651070	0	35	-1.0	-53.58	322.70	5.28	-48.30
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300007651071	0	53	-1.0	-46.31	417.66	7.34	-38.97
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1CC	REAL300007651072	0	47	-1.0	-53.12	385.44	6.03	-47.09
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651073	0	37	-1.0	-40.99	311.28	5.51	-35.48
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651074	0	37	-1.0	-55.89	328.25	5.35	-50.54
CC(C)C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007651075	0	35	-1.0	-45.58	315.02	5.13	-40.45
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651076	0	47	-1.0	-52.61	387.33	6.31	-46.30
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007651077	0	36	-1.0	-57.19	304.92	4.04	-53.15
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)C=C1	REAL300007651078	0	46	-1.0	-51.90	395.75	7.33	-44.57
CC(C)C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007651079	0	38	-1.0	-54.26	321.69	3.21	-51.05
CC(C)C(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007651080	0	38	-1.0	-43.01	310.96	3.08	-39.93
CC(C)C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007651081	0	41	-1.0	-50.23	329.83	4.19	-46.04
CC(C)C(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007651082	0	42	-1.0	-45.17	332.54	1.94	-43.23
CC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007651083	0	37	-1.0	-52.66	338.59	4.46	-48.20
CC(C)C(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007651084	0	38	-1.0	-54.93	310.97	3.37	-51.56
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007651085	0	56	-1.0	-52.39	441.96	8.06	-44.33
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007651086	0	47	-1.0	-57.73	365.69	5.12	-52.61
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651087	0	41	-1.0	-57.68	343.92	4.89	-52.79
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007651088	0	54	-1.0	-54.08	436.34	5.99	-48.09
CC(C)C(NS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300007651089	0	39	-1.0	-59.02	329.40	4.19	-54.83
CC(C)C(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007651090	0	39	-1.0	-52.01	342.40	3.24	-48.77
CC(C)C(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007651091	0	37	-1.0	-56.73	318.73	4.12	-52.61
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651092	0	36	-1.0	-54.46	310.04	3.15	-51.31
CC(C)C(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007651093	0	35	-1.0	-52.82	326.41	4.10	-48.72
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007651094	0	34	-1.0	-47.74	307.72	4.94	-42.80
CC(C)C(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007651095	0	38	-1.0	-52.62	319.51	3.07	-49.55
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1F	REAL300007651096	0	40	-1.0	-41.91	317.49	5.69	-36.22
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1OC	REAL300007651097	0	39	-1.0	-54.93	325.65	3.37	-51.56
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007651098	0	44	-1.0	-46.97	358.09	4.48	-42.49
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651099	0	43	-1.0	-51.82	343.13	3.92	-47.90
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=N1	REAL300007651100	0	43	-1.0	-52.41	358.65	4.16	-48.25
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007651101	0	38	-1.0	-47.54	329.40	3.47	-44.07
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007651102	0	35	-1.0	-55.98	306.77	3.02	-52.96
CC(C)C(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007651103	0	36	-1.0	-53.79	314.49	1.90	-51.89
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007651104	0	37	-1.0	-54.83	322.25	5.62	-49.21
CC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007651105	0	37	-1.0	-50.43	342.28	4.71	-45.72
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007651106	0	41	-1.0	-47.10	344.73	4.00	-43.10
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651107	0	49	-1.0	-58.05	376.38	7.14	-50.91
CC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007651108	0	37	-1.0	-50.45	342.15	5.40	-45.05
CC(C)C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007651109	0	41	-1.0	-51.32	345.62	4.17	-47.15
CC(C)C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007651110	0	35	-1.0	-42.92	293.32	4.31	-38.61
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007651111	0	42	-1.0	-56.94	369.40	6.42	-50.52
COC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007651112	0	40	-1.0	-71.67	334.59	4.92	-66.75
CC(C)C(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007651113	0	38	-1.0	-45.65	313.68	3.07	-42.58
CC(C)C(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007651114	0	40	-1.0	-50.17	314.17	3.50	-46.67
CC(C)C(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007651115	0	40	-1.0	-46.31	333.36	3.22	-43.09
CC(C)C(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007651116	0	38	-1.0	-44.63	317.32	2.56	-42.07
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300007651117	0	36	-1.0	-41.18	319.79	3.32	-37.86
CC(C)C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007651118	0	34	-1.0	-39.52	318.79	4.68	-34.84
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651119	0	42	-1.0	-58.53	355.52	5.55	-52.98
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007651120	0	42	-1.0	-46.89	341.86	6.68	-40.21
CC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007651121	0	37	-1.0	-52.43	336.48	4.61	-47.82
CC(C)C(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007651122	0	38	-1.0	-46.34	320.49	1.83	-44.51
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007651123	0	41	-1.0	-50.97	363.09	4.24	-46.73
CC(C)C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007651124	0	31	-1.0	-52.67	287.61	3.88	-48.79
CC(C)C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007651125	0	41	-1.0	-53.27	332.47	3.90	-49.37
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651126	0	40	-1.0	-49.71	327.53	3.41	-46.30
CC(C)C(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007651127	0	45	-1.0	-52.88	332.94	4.26	-48.62
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007651128	0	45	-1.0	-54.07	363.91	2.51	-51.56
CC(C)C(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007651129	0	37	-1.0	-52.87	326.08	5.07	-47.80
CC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007651130	0	35	-1.0	-53.80	306.81	3.03	-50.77
CC(C)C(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007651131	0	46	-1.0	-42.31	364.39	6.18	-36.13
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007651132	0	42	-1.0	-66.70	343.50	5.90	-60.80
CC(C)C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007651133	0	39	-1.0	-38.99	324.34	3.66	-35.33
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651134	0	41	-1.0	-55.81	349.79	4.21	-51.60
CC(C)C(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007651135	0	34	-1.0	-46.31	332.92	5.63	-40.68
CC(C)C(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007651136	0	41	-1.0	-51.37	346.92	4.72	-46.65
CC(C)C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007651137	0	44	-1.0	-54.41	360.06	4.50	-49.91
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007651138	0	42	-1.0	-52.92	361.50	6.40	-46.52
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300007651139	0	37	-1.0	-51.26	325.26	5.18	-46.08
CC(C)C(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007651140	0	34	-1.0	-46.31	332.92	5.63	-40.68
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007651141	0	40	-1.0	-48.91	332.00	6.49	-42.42
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007651142	0	41	-1.0	-55.25	342.52	4.99	-50.26
CC(C)C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007651143	0	35	-1.0	-44.93	307.18	4.76	-40.17
CC(C)C(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007651144	0	35	-1.0	-53.53	327.26	5.38	-48.15
CC(C)C(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007651145	0	35	-1.0	-44.65	326.83	5.43	-39.22
CC(C)C(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007651146	0	36	-1.0	-42.60	310.63	-2.57	-45.17
CC(C)C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007651147	0	33	-1.0	-53.63	298.42	2.84	-50.79
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300007651148	0	40	-1.0	-51.51	340.24	2.64	-48.87
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300007651148	1	39	-2.0	-145.73	342.14	2.87	-142.86
CC(C)C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007651149	0	48	-1.0	-57.33	347.79	6.40	-50.93
CC(C)C(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007651150	0	39	-1.0	-53.90	305.72	3.93	-49.97
CC(C)C(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007651151	0	39	-1.0	-66.36	343.19	0.32	-66.04
CC(C)C(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007651152	0	44	-1.0	-57.49	345.06	3.88	-53.61
CC(C)C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007651153	0	35	-1.0	-63.67	318.77	2.56	-61.11
CC(C)C(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007651154	0	41	-1.0	-58.32	354.64	6.37	-51.95
CC(C)C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007651155	0	40	-1.0	-60.68	319.87	0.88	-59.80
CC(C)C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007651156	0	44	-1.0	-41.17	333.22	5.48	-35.69
CC(C)C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007651157	0	35	-1.0	-54.37	315.44	4.87	-49.50
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007651158	0	53	-1.0	-47.12	398.46	7.68	-39.44
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007651159	0	42	-1.0	-42.92	339.24	4.36	-38.56
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1OC	REAL300007651160	0	36	-1.0	-57.59	318.65	1.37	-56.22
CC(C)C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007651161	0	43	-1.0	-44.56	326.75	3.92	-40.64
CC(C)C(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007651162	0	42	-1.0	-54.40	344.88	5.19	-49.21
CC(C)C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007651163	0	35	-1.0	-53.22	319.28	4.43	-48.79
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300007651164	0	35	-1.0	-45.34	311.19	3.17	-42.17
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)C(F)=C1	REAL300007651164	1	34	-2.0	-138.81	304.09	3.44	-135.37
CC(C)C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007651165	0	35	-1.0	-56.24	316.38	3.17	-53.07
CC(C)C(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007651166	0	37	-1.0	-52.09	315.03	3.45	-48.64
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007651167	0	38	-1.0	-59.39	326.51	5.29	-54.10
CC(C)C(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007651168	0	40	-1.0	-52.08	345.72	3.94	-48.14
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651169	0	44	-1.0	-54.83	355.60	5.81	-49.02
CC(C)C(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007651170	0	42	-1.0	-53.29	359.64	6.36	-46.93
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007651171	0	37	-1.0	-61.99	304.81	5.45	-56.54
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007651172	0	32	-1.0	-43.40	296.09	2.35	-41.05
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651173	0	42	-1.0	-54.73	356.50	5.15	-49.58
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300007651174	0	41	-1.0	-48.16	350.84	4.32	-43.84
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300007651175	0	35	-1.0	-63.54	306.07	2.91	-60.63
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007651176	0	37	-1.0	-42.30	328.51	6.24	-36.06
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007651177	0	41	-1.0	-43.09	356.80	7.39	-35.70
CC(C)C(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007651178	0	30	-1.0	-42.13	300.97	1.59	-40.54
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300007651179	0	37	-1.0	-51.12	326.55	5.32	-45.80
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651180	0	44	-1.0	-46.51	360.35	4.82	-41.69
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651181	0	45	-1.0	-46.49	373.16	3.83	-42.66
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007651182	0	37	-1.0	-46.68	332.07	6.46	-40.22
CC(C)C(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007651183	0	39	-1.0	-50.89	315.28	1.14	-49.75
CC(C)C(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007651184	0	37	-1.0	-44.52	330.72	3.28	-41.24
CC(C)C(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007651185	0	46	-1.0	-53.77	374.73	3.91	-49.86
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651186	0	34	-1.0	-41.22	293.60	1.41	-39.81
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007651187	0	37	-1.0	-44.06	320.96	1.04	-43.02
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007651188	0	40	-1.0	-44.22	332.32	3.69	-40.53
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651189	0	40	-1.0	-53.24	332.22	3.18	-50.06
CC(C)C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007651190	0	41	-1.0	-53.94	329.32	1.25	-52.69
COCC1=CC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)=NO1	REAL300007651191	0	37	-1.0	-56.86	325.14	1.41	-55.45
CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007651192	0	36	-1.0	-56.03	320.85	5.50	-50.53
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007651193	0	42	-1.0	-46.62	338.28	3.82	-42.80
CC(C)C(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007651194	0	38	-1.0	-42.12	314.82	3.21	-38.91
CC(C)C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007651195	0	38	-1.0	-51.23	323.36	4.71	-46.52
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007651196	0	33	-1.0	-48.99	301.83	2.54	-46.45
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=NN1C(C)C	REAL300007651197	0	40	-1.0	-57.10	331.29	3.32	-53.78
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007651198	0	45	-1.0	-45.64	377.67	7.08	-38.56
CC(C)C(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007651199	0	36	-1.0	-52.62	305.46	4.01	-48.61
CC(C)C(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007651200	0	34	-1.0	-50.54	295.40	3.04	-47.50
CC(C)C(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007651201	0	39	-1.0	-60.62	325.19	-0.83	-61.45
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300007651202	0	38	-1.0	-62.77	315.19	3.54	-59.23
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651203	0	37	-1.0	-40.26	315.95	1.92	-38.34
CC(C)C(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007651204	0	36	-1.0	-53.79	305.34	3.94	-49.85
CCOC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007651205	0	37	-1.0	-48.82	313.27	2.81	-46.01
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007651206	0	39	-1.0	-61.88	328.66	4.85	-57.03
CC(C)C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007651207	0	33	-1.0	-49.14	296.07	2.47	-46.67
CC(C)C(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007651208	0	38	-1.0	-53.04	340.74	4.47	-48.57
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007651209	0	44	-1.0	-58.74	358.92	5.49	-53.25
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2)(C(=O)[O-])CC1	REAL300007651210	0	41	-1.0	-58.99	309.38	6.04	-52.95
CCC1CCC(NS(=O)(=O)C2=CC=CC(F)=C2)(C(=O)[O-])CC1	REAL300007651211	0	41	-1.0	-55.68	315.63	5.80	-49.88
CCC1CCC(NS(=O)(=O)C2=CC=CC(C(C)=O)=C2)(C(=O)[O-])CC1	REAL300007651212	0	46	-1.0	-67.24	350.50	6.13	-61.11
CCCCN(C)S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651213	0	48	-1.0	-38.55	349.14	6.12	-32.43
CCC1CCC(NS(=O)(=O)C2=CC=CS2)(C(=O)[O-])CC1	REAL300007651214	0	38	-1.0	-46.66	300.31	4.41	-42.25
CCC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C=C1	REAL300007651215	0	53	-1.0	-42.00	388.83	8.44	-33.56
CCC1CCC(NS(=O)(=O)C2=CC=C(C)S2)(C(=O)[O-])CC1	REAL300007651216	0	41	-1.0	-46.74	322.10	5.21	-41.53
CCC1CCC(NS(=O)(=O)C2=CC=C(Cl)S2)(C(=O)[O-])CC1	REAL300007651217	0	38	-1.0	-43.01	317.23	5.03	-37.98
CCC1CCC(NS(=O)(=O)C2=CC(C)=CC=C2OC)(C(=O)[O-])CC1	REAL300007651218	0	48	-1.0	-42.57	358.18	6.08	-36.49
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)(C(=O)[O-])CC1	REAL300007651219	0	45	-1.0	-38.20	354.15	6.03	-32.17
CCC1CCC(NS(=O)(=O)N2CCOCC2)(C(=O)[O-])CC1	REAL300007651220	0	44	-1.0	-56.11	311.73	2.71	-53.40
CCC1CCC(NS(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)(C(=O)[O-])CC1	REAL300007651221	0	47	-1.0	-62.07	369.76	3.55	-58.52
CCC1CCC(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)(C(=O)[O-])CC1	REAL300007651222	0	45	-1.0	-53.71	355.22	5.52	-48.19
CCC1CCC(NS(=O)(=O)C2=CC(OC)=C(OC)C=C2C)(C(=O)[O-])CC1	REAL300007651223	0	52	-1.0	-46.06	383.56	5.40	-40.66
CCC1CCC(NS(=O)(=O)C2=CC=C(Cl)C=C2C)(C(=O)[O-])CC1	REAL300007651224	0	44	-1.0	-39.42	341.70	6.72	-32.70
CCC1CCC(NS(=O)(=O)C2=CN(C)N=C2)(C(=O)[O-])CC1	REAL300007651225	0	41	-1.0	-47.20	312.90	2.95	-44.25
CCC1CCC(NS(=O)(=O)N(CC)CC)(C(=O)[O-])CC1	REAL300007651226	0	45	-1.0	-38.04	320.79	5.15	-32.89
CCC1CCC(NS(=O)(=O)N(C)C2CCCCC2)(C(=O)[O-])CC1	REAL300007651227	0	52	-1.0	-58.80	362.65	6.96	-51.84
CCC1CCC(NS(=O)(=O)C2=C(C)N(C)N=C2C)(C(=O)[O-])CC1	REAL300007651228	0	47	-1.0	-56.13	346.76	4.74	-51.39
CCC1CCC(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)(C(=O)[O-])CC1	REAL300007651229	0	57	-1.0	-57.45	411.23	9.87	-47.58
CCC1CCC(NS(=O)(=O)C2=CC=C3OCCOC3=C2)(C(=O)[O-])CC1	REAL300007651230	0	47	-1.0	-57.97	355.07	5.03	-52.94
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C=C1	REAL300007651231	0	47	-1.0	-58.02	351.94	7.47	-50.55
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2Br)(C(=O)[O-])CC1	REAL300007651232	0	41	-1.0	-39.76	330.91	6.19	-33.57
CCC1CCC(NS(=O)(=O)C2=CC=CC(Br)=C2)(C(=O)[O-])CC1	REAL300007651233	0	41	-1.0	-54.72	330.51	6.34	-48.38
CCC1CCC(NS(=O)(=O)C2=CNN=C2C)(C(=O)[O-])CC1	REAL300007651234	0	41	-1.0	-39.43	308.03	2.23	-37.20
CCC1CCC(NS(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651235	0	46	-1.0	-59.92	340.18	8.08	-51.84
CCC1CCC(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)(C(=O)[O-])CC1	REAL300007651236	0	47	-1.0	-40.46	374.84	8.09	-32.37
CCC1CCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)(C(=O)[O-])CC1	REAL300007651237	0	51	-1.0	-43.83	396.80	2.60	-41.23
CCC1CCC(NS(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)(C(=O)[O-])CC1	REAL300007651238	0	52	-1.0	-41.46	392.74	7.69	-33.77
CCC1CCC(NS(=O)(=O)C2=CC(C)=CC(F)=C2)(C(=O)[O-])CC1	REAL300007651239	0	44	-1.0	-40.05	338.03	6.58	-33.47
CCC1CCC(NS(=O)(=O)CCC2CC2)(C(=O)[O-])CC1	REAL300007651240	0	44	-1.0	-38.65	326.45	5.51	-33.14
CCC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)(C(=O)[O-])CC1	REAL300007651241	0	47	-1.0	-56.95	354.22	6.59	-50.36
CCC1CCC(NS(=O)(=O)C2=CC=C(COC)C=C2)(C(=O)[O-])CC1	REAL300007651242	0	48	-1.0	-58.88	364.49	5.77	-53.11
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C=N1	REAL300007651243	0	47	-1.0	-44.28	356.29	2.91	-41.37
CCC1CCC(NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])CC1	REAL300007651244	0	46	-1.0	-46.60	361.82	2.11	-44.49
CCC1CCC(NS(=O)(=O)C2=CC=C(OC)C(C)=C2C)(C(=O)[O-])CC1	REAL300007651245	0	51	-1.0	-40.86	369.01	6.16	-34.70
CCC1CCC(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)(C(=O)[O-])CC1	REAL300007651246	0	46	-1.0	-43.83	348.26	5.68	-38.15
CCC1CCC(NS(=O)(=O)CC2=NOC=C2)(C(=O)[O-])CC1	REAL300007651247	0	40	-1.0	-47.18	311.64	4.08	-43.10
CCC1CCC(NS(=O)(=O)C2=C(C)N(C)N=C2)(C(=O)[O-])CC1	REAL300007651248	0	44	-1.0	-42.41	329.50	3.47	-38.94
CCC1CCC(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)(C(=O)[O-])CC1	REAL300007651249	0	51	-1.0	-64.72	379.30	2.35	-62.37
CCC1CCC(NS(=O)(=O)N(C)C2CCOCC2)(C(=O)[O-])CC1	REAL300007651250	0	50	-1.0	-57.88	350.93	4.50	-53.38
CCC1CCC(NS(=O)(=O)N2CC3CCC2C3)(C(=O)[O-])CC1	REAL300007651251	0	47	-1.0	-39.78	328.02	5.72	-34.06
CCC1CCC(NS(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)(C(=O)[O-])CC1	REAL300007651252	0	50	-1.0	-57.33	385.07	7.08	-50.25
CCC1CCC(NS(=O)(=O)C2=C(C)N(CC)N=C2C)(C(=O)[O-])CC1	REAL300007651253	0	50	-1.0	-56.02	369.46	5.50	-50.52
CCC1CCC(NS(=O)(=O)C2=CN(C(C)C)N=C2)(C(=O)[O-])CC1	REAL300007651254	0	47	-1.0	-46.43	353.06	4.34	-42.09
CCC1CCC(NS(=O)(=O)C2=CN(CC(C)C)C=N2)(C(=O)[O-])CC1	REAL300007651255	0	50	-1.0	-45.07	373.56	6.35	-38.72
CCC1CCC(NS(=O)(=O)C2=CN(C(C)C)C=N2)(C(=O)[O-])CC1	REAL300007651256	0	47	-1.0	-46.36	354.46	5.76	-40.60
CCC1CCC(NS(=O)(=O)C2=CNC(C(C)C)=N2)(C(=O)[O-])CC1	REAL300007651257	0	47	-1.0	-60.72	352.15	5.29	-55.43
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2C(C)(C)C)(C(=O)[O-])CC1	REAL300007651258	0	53	-1.0	-58.38	363.82	8.42	-49.96
CCC1CCC(NS(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)(C(=O)[O-])CC1	REAL300007651259	0	49	-1.0	-61.87	375.18	5.02	-56.85
CCC1CCC(NS(=O)(=O)CC2CCCOC2)(C(=O)[O-])CC1	REAL300007651260	0	48	-1.0	-39.82	346.96	4.78	-35.04
CCC1CCC(NS(=O)(=O)C2=CC=CC(F)=C2C)(C(=O)[O-])CC1	REAL300007651261	0	44	-1.0	-38.35	330.70	6.07	-32.28
CCC1CCC(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)(C(=O)[O-])CC1	REAL300007651262	0	47	-1.0	-43.16	369.82	8.18	-34.98
CCC1CCC(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)(C(=O)[O-])CC1	REAL300007651263	0	45	-1.0	-54.27	354.68	5.37	-48.90
CCC1CCC(NS(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)(C(=O)[O-])CC1	REAL300007651264	0	56	-1.0	-55.67	400.76	6.63	-49.04
CCC1CCC(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)(C(=O)[O-])CC1	REAL300007651265	0	44	-1.0	-55.82	343.22	6.96	-48.86
CCC1CCC(NS(=O)(=O)C2=CC(COC)=CC=C2OC)(C(=O)[O-])CC1	REAL300007651266	0	52	-1.0	-43.44	393.22	5.15	-38.29
CCC1CCC(NS(=O)(=O)C(C)CCOC)(C(=O)[O-])CC1	REAL300007651267	0	47	-1.0	-37.98	342.09	4.41	-33.57
CCC1CCC(NS(=O)(=O)C2=CC(F)=CC=C2OC)(C(=O)[O-])CC1	REAL300007651268	0	45	-1.0	-41.01	343.17	5.48	-35.53
CCC(C)CS(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651269	0	46	-1.0	-39.97	332.68	5.90	-34.07
CCC1CCC(NS(=O)(=O)N2CCC3(CCCCC3)CC2)(C(=O)[O-])CC1	REAL300007651270	0	59	-1.0	-38.01	391.74	7.59	-30.42
CCC1CCC(NS(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)(C(=O)[O-])CC1	REAL300007651271	0	49	-1.0	-50.40	376.10	6.59	-43.81
CCC1CCC(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651272	0	49	-1.0	-53.19	380.84	8.02	-45.17
CCC1CCC(NS(=O)(=O)N(CC)CC2CC2)(C(=O)[O-])CC1	REAL300007651273	0	49	-1.0	-39.11	355.17	6.79	-32.32
CCC1CCC(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)(C(=O)[O-])CC1	REAL300007651274	0	52	-1.0	-41.18	385.40	3.80	-37.38
CCCN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)=C1	REAL300007651275	0	47	-1.0	-61.34	355.66	7.65	-53.69
CCC1CCC(NS(=O)(=O)CCOCCOCCOC)(C(=O)[O-])CC1	REAL300007651276	0	55	-1.0	-47.64	421.37	3.41	-44.23
CCC1CCC(NS(=O)(=O)CCOCC2CC2)(C(=O)[O-])CC1	REAL300007651277	0	48	-1.0	-43.48	363.89	5.39	-38.09
CCC1CCC(NS(=O)(=O)CC(C)COC2CCCC2)(C(=O)[O-])CC1	REAL300007651278	0	57	-1.0	-39.25	414.21	7.39	-31.86
CCC1CCC(NS(=O)(=O)CC(C)COC)(C(=O)[O-])CC1	REAL300007651279	0	47	-1.0	-39.14	347.21	4.36	-34.78
CCOCC(C)CS(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651280	0	50	-1.0	-39.30	369.07	5.33	-33.97
CCC1CCC(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)(C(=O)[O-])CC1	REAL300007651281	0	49	-1.0	-40.15	366.43	3.02	-37.13
CCC1CCC(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)(C(=O)[O-])CC1	REAL300007651282	0	45	-1.0	-41.41	353.67	5.68	-35.73
CCC1CCC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)(C(=O)[O-])CC1	REAL300007651283	0	47	-1.0	-49.92	364.75	6.48	-43.44
CCC1CCC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)(C(=O)[O-])CC1	REAL300007651284	0	47	-1.0	-38.76	363.69	7.20	-31.56
CCC1CCC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)(C(=O)[O-])CC1	REAL300007651285	0	47	-1.0	-42.17	363.78	7.20	-34.97
CCC1CCC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)(C(=O)[O-])CC1	REAL300007651286	0	47	-1.0	-50.84	363.66	7.24	-43.60
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2C(C)C)(C(=O)[O-])CC1	REAL300007651287	0	50	-1.0	-58.10	363.31	7.88	-50.22
CCC1CCC(NS(=O)(=O)CCCN2CCOCC2)(C(=O)[O-])CC1	REAL300007651288	0	53	-1.0	-40.28	386.53	3.05	-37.23
CCOC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)=C1	REAL300007651289	0	48	-1.0	-58.52	360.58	5.95	-52.57
CCC1CCC(NS(=O)(=O)C2=CN(CCOC)N=C2)(C(=O)[O-])CC1	REAL300007651290	0	48	-1.0	-58.10	369.67	3.56	-54.54
CCC1CCC(NS(=O)(=O)CCC(C)(C)C)(C(=O)[O-])CC1	REAL300007651291	0	49	-1.0	-40.20	353.46	6.27	-33.93
CCC1CCC(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)(C(=O)[O-])CC1	REAL300007651292	0	48	-1.0	-62.82	373.79	6.60	-56.22
CCC1CCC(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)(C(=O)[O-])CC1	REAL300007651293	0	49	-1.0	-40.56	386.32	8.25	-32.31
CCC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)(C(=O)[O-])CC1	REAL300007651294	0	46	-1.0	-47.59	348.46	5.66	-41.93
CCC1CCC(NS(=O)(=O)N2CCC(C)C2)(C(=O)[O-])CC1	REAL300007651295	0	46	-1.0	-55.90	333.81	4.91	-50.99
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2COC)(C(=O)[O-])CC1	REAL300007651296	0	48	-1.0	-54.24	357.33	6.00	-48.24
CCC1CCC(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)(C(=O)[O-])CC1	REAL300007651297	0	44	-1.0	-48.80	352.28	4.31	-44.49
CCC1CCC(NS(=O)(=O)C2=CN(CC(F)F)N=C2)(C(=O)[O-])CC1	REAL300007651298	0	44	-1.0	-61.09	347.84	4.84	-56.25
CCC1CCC(NS(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)(C(=O)[O-])CC1	REAL300007651299	0	52	-1.0	-46.34	384.71	6.53	-39.81
CCC1CCC(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)(C(=O)[O-])CC1	REAL300007651300	0	44	-1.0	-40.82	353.63	4.52	-36.30
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2SC)(C(=O)[O-])CC1	REAL300007651301	0	45	-1.0	-41.92	346.59	6.33	-35.59
CCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)=C1	REAL300007651302	0	47	-1.0	-56.39	352.12	7.16	-49.23
CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C=C1	REAL300007651303	0	50	-1.0	-43.21	379.49	8.24	-34.97
CCC1CCC(NS(=O)(=O)CCC2=CC=CS2)(C(=O)[O-])CC1	REAL300007651304	0	44	-1.0	-41.64	348.36	6.68	-34.96
CCC1CCC(NS(=O)(=O)CC2=CC=C(C)C(C)=C2)(C(=O)[O-])CC1	REAL300007651305	0	50	-1.0	-44.44	375.02	8.00	-36.44
CCC1CCC(NS(=O)(=O)N(C)CC(C)C)(C(=O)[O-])CC1	REAL300007651306	0	48	-1.0	-38.50	342.38	5.77	-32.73
CCC1CCC(NS(=O)(=O)N(C)C2CCCC2)(C(=O)[O-])CC1	REAL300007651307	0	49	-1.0	-58.38	344.27	6.37	-52.01
CCCN(C)S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651308	0	45	-1.0	-38.45	327.64	5.34	-33.11
CCC1CCC(NS(=O)(=O)N2CCOC(C)(C)C2)(C(=O)[O-])CC1	REAL300007651309	0	50	-1.0	-53.35	356.06	4.38	-48.97
CCC1CCC(NS(=O)(=O)CC2=CC(C)=NO2)(C(=O)[O-])CC1	REAL300007651310	0	43	-1.0	-40.31	333.53	4.95	-35.36
CCC1CCC(NS(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)(C(=O)[O-])CC1	REAL300007651311	0	53	-1.0	-54.99	399.95	7.26	-47.73
CCC1CCC(NS(=O)(=O)CCNS(=O)(=O)CC)(C(=O)[O-])CC1	REAL300007651312	0	48	-1.0	-45.41	376.74	0.83	-44.58
CCC1CCC(NS(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)(C(=O)[O-])CC1	REAL300007651313	0	47	-1.0	-44.29	365.39	6.78	-37.51
CCC1CCC(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)(C(=O)[O-])CC1	REAL300007651314	0	47	-1.0	-43.91	371.89	8.24	-35.67
CCC1CCC(NS(=O)(=O)CCC2CCCO2)(C(=O)[O-])CC1	REAL300007651315	0	48	-1.0	-44.98	354.69	4.91	-40.07
CCC1CCC(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)(C(=O)[O-])CC1	REAL300007651316	0	47	-1.0	-59.79	370.03	7.82	-51.97
CCC1CCC(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)(C(=O)[O-])CC1	REAL300007651317	0	52	-1.0	-43.91	394.00	7.43	-36.48
CCC1CCC(NS(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)(C(=O)[O-])CC1	REAL300007651318	0	50	-1.0	-45.88	377.48	8.16	-37.72
CCC1CCC(NS(=O)(=O)C2=CC=C(C)C(N(C)C)=C2)(C(=O)[O-])CC1	REAL300007651319	0	52	-1.0	-54.56	383.84	6.38	-48.18
CCC1CCC(NS(=O)(=O)C2=C3OCCCN3N=C2)(C(=O)[O-])CC1	REAL300007651320	0	46	-1.0	-48.10	354.82	2.47	-45.63
CCC1CCC(NS(=O)(=O)CCOCC2CCCC2)(C(=O)[O-])CC1	REAL300007651321	0	54	-1.0	-43.48	397.59	6.54	-36.94
CCC1CCC(NS(=O)(=O)C2=CC(Cl)=C(OC)C=C2C)(C(=O)[O-])CC1	REAL300007651322	0	48	-1.0	-39.79	369.45	6.10	-33.69
CCC1CCC(NS(=O)(=O)C2=CC=C(SC)C(Cl)=C2)(C(=O)[O-])CC1	REAL300007651323	0	45	-1.0	-54.76	364.43	7.19	-47.57
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651324	0	53	-1.0	-55.50	386.59	6.29	-49.21
CCC1CCC(NS(=O)(=O)CC(C)OC)(C(=O)[O-])CC1	REAL300007651325	0	44	-1.0	-41.82	329.79	3.67	-38.15
CCC1CCC(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)(C(=O)[O-])CC1	REAL300007651326	0	49	-1.0	-51.56	380.39	4.22	-47.34
CCC1=NOC2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCC(CC)CC3)C=C12	REAL300007651327	0	48	-1.0	-48.49	369.77	3.43	-45.06
CCC1CCC(NS(=O)(=O)C2=CN=C3C(=C2)C=NN3C)(C(=O)[O-])CC1	REAL300007651328	0	46	-1.0	-53.60	353.58	4.76	-48.84
CCC1=CC(CC)=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C(CC)=C1	REAL300007651329	0	59	-1.0	-54.32	400.84	10.35	-43.97
CCC1CCC(NS(=O)(=O)C2=CN3CCCCC3=N2)(C(=O)[O-])CC1	REAL300007651330	0	48	-1.0	-62.69	354.12	6.88	-55.81
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)(C(=O)[O-])CC1	REAL300007651331	0	50	-1.0	-67.81	377.76	9.61	-58.20
CCC1CCC(NS(=O)(=O)C2=CC=C(OC)C(F)=C2C)(C(=O)[O-])CC1	REAL300007651332	0	48	-1.0	-41.03	359.66	5.55	-35.48
CCC1CCC(NS(=O)(=O)CC2(C)CCCCC2)(C(=O)[O-])CC1	REAL300007651333	0	53	-1.0	-39.45	359.41	6.97	-32.48
CCC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)(C(=O)[O-])CC1	REAL300007651334	0	50	-1.0	-59.52	365.71	7.32	-52.20
CCC1CCC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)(C(=O)[O-])CC1	REAL300007651335	0	49	-1.0	-53.59	378.44	7.12	-46.47
CCC1CCC(NS(=O)(=O)C2=CN=NN2C)(C(=O)[O-])CC1	REAL300007651336	0	40	-1.0	-41.12	302.21	1.64	-39.48
CCC1CCC(NS(=O)(=O)C2=CC(Cl)=CC(COC)=C2)(C(=O)[O-])CC1	REAL300007651337	0	48	-1.0	-45.00	378.79	5.49	-39.51
CCC1CCC(NS(=O)(=O)CC2=CC=C(C)C=C2F)(C(=O)[O-])CC1	REAL300007651338	0	47	-1.0	-45.84	363.33	7.51	-38.33
CCC1CCC(NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300007651339	0	53	0.0	-94.49	387.74	7.95	-86.54
CCC1CCC(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)(C(=O)[O-])CC1	REAL300007651340	0	41	-1.0	-42.30	340.84	5.61	-36.69
CCC1CCC(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)(C(=O)[O-])CC1	REAL300007651341	0	54	-1.0	-42.52	401.60	9.38	-33.14
CCC1CCC(NS(=O)(=O)CC2=NOC(C(C)(C)C)=C2)(C(=O)[O-])CC1	REAL300007651342	0	52	-1.0	-45.69	394.71	6.80	-38.89
CCC1CCC(NS(=O)(=O)CCC2CCC2)(C(=O)[O-])CC1	REAL300007651343	0	47	-1.0	-40.54	346.42	6.64	-33.90
CCC1CCC(NS(=O)(=O)CCCC(C)(C)C)(C(=O)[O-])CC1	REAL300007651344	0	52	-1.0	-39.96	374.92	7.02	-32.94
CCC1CCC(NS(=O)(=O)CC2CCCS(=O)(=O)C2)(C(=O)[O-])CC1	REAL300007651345	0	50	-1.0	-46.08	374.62	3.21	-42.87
CCC1CCC(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)(C(=O)[O-])CC1	REAL300007651346	0	44	-1.0	-43.22	346.60	6.11	-37.11
CCC1CCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)(C(=O)[O-])CC1	REAL300007651346	1	43	-2.0	-129.15	353.55	7.16	-121.99
CCC1CCC(NS(=O)(=O)CCC2=C(C)N=CS2)(C(=O)[O-])CC1	REAL300007651347	0	46	-1.0	-42.05	362.08	5.32	-36.73
CCC1CCC(NS(=O)(=O)C2(COC)CC2)(C(=O)[O-])CC1	REAL300007651348	0	45	-1.0	-43.15	327.57	5.16	-37.99
CCC1CCC(NS(=O)(=O)CC23CCC(CC2)C3)(C(=O)[O-])CC1	REAL300007651349	0	51	-1.0	-41.77	361.61	7.46	-34.31
CCC1CCC(NS(=O)(=O)CC2CC(F)(F)C2)(C(=O)[O-])CC1	REAL300007651350	0	44	-1.0	-37.37	338.19	6.04	-31.33
CCC1CCC(NS(=O)(=O)C2=CC3=CC=C(OC)C=C3CC2)(C(=O)[O-])CC1	REAL300007651351	0	53	-1.0	-58.10	392.50	7.82	-50.28
CCC1CCC(NS(=O)(=O)CC23CCC(CC2)CC3)(C(=O)[O-])CC1	REAL300007651352	0	54	-1.0	-40.07	367.00	7.48	-32.59
CCC1CCC(NS(=O)(=O)CCC2CCOC2)(C(=O)[O-])CC1	REAL300007651353	0	48	-1.0	-40.45	352.16	4.59	-35.86
CCC1CCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)(C(=O)[O-])CC1	REAL300007651354	0	52	-1.0	-53.01	386.13	3.20	-49.81
CCC1CCC(NS(=O)(=O)CC2CCCCC2(F)F)(C(=O)[O-])CC1	REAL300007651355	0	50	-1.0	-44.09	362.37	6.65	-37.44
CCC1CCC(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)(C(=O)[O-])CC1	REAL300007651356	0	48	-1.0	-46.99	359.55	7.46	-39.53
CCC1CCC(NS(=O)(=O)C2=NN(C)C=C2)(C(=O)[O-])CC1	REAL300007651357	0	41	-1.0	-49.21	315.12	3.19	-46.02
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C=C1[N+](=O)[O-]	REAL300007651358	0	49	-1.0	-51.56	372.11	7.68	-43.88
CCC1CCC(NS(=O)(=O)C2=CC=C(Cl)C=C2)(C(=O)[O-])CC1	REAL300007651359	0	41	-1.0	-38.33	326.83	6.38	-31.95
CCC1CCC(NS(=O)(=O)C2=CC=C(Br)C=C2)(C(=O)[O-])CC1	REAL300007651360	0	41	-1.0	-38.34	331.41	6.47	-31.87
CCC1CCC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)(C(=O)[O-])CC1	REAL300007651361	0	43	-1.0	-52.38	337.60	6.71	-45.67
CCC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)(C(=O)[O-])CC1	REAL300007651362	0	47	-1.0	-56.34	355.28	8.00	-48.34
CCC1CCC(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)(C(=O)[O-])CC1	REAL300007651363	0	43	-1.0	-49.18	335.20	5.94	-43.24
CCC1CCC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)(C(=O)[O-])CC1	REAL300007651364	0	46	-1.0	-45.66	353.27	6.88	-38.78
CCC1CCC(NS(=O)(=O)C2=CC=C(OC)C=C2)(C(=O)[O-])CC1	REAL300007651365	0	45	-1.0	-42.47	339.60	5.15	-37.32
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651366	0	43	-1.0	-60.57	328.33	7.32	-53.25
CCC1CCC(NS(=O)(=O)C2=CC=C(C)C=C2)(C(=O)[O-])CC1	REAL300007651367	0	44	-1.0	-42.03	331.57	6.53	-35.50
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CCC1CCC(NS(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)(C(=O)[O-])CC1	REAL300007651369	0	53	-1.0	-54.78	371.24	8.55	-46.23
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CCC1CCC(NS(=O)(=O)C2=C(C)C=C(C(C)(C)C)C=C2C)(C(=O)[O-])CC1	REAL300007651393	0	59	-1.0	-55.86	412.09	9.87	-45.99
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CCC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)(C(=O)[O-])CC1	REAL300007651400	0	49	-1.0	-58.59	363.04	8.50	-50.09
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CCC1CCC(NS(=O)(=O)C2=CC=C(CCC(C)C)C=C2)(C(=O)[O-])CC1	REAL300007651402	0	56	-1.0	-57.86	412.50	9.53	-48.33
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CCC1CCC(NS(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)(C(=O)[O-])CC1	REAL300007651404	0	46	-1.0	-59.97	363.30	0.99	-58.98
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CCC1CCC(NS(=O)(=O)N2CCCCCC2)(C(=O)[O-])CC1	REAL300007651407	0	49	-1.0	-56.61	345.92	6.38	-50.23
CCC1CCC(NS(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)(C(=O)[O-])CC1	REAL300007651408	0	49	-1.0	-49.52	375.91	6.63	-42.89
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CCC1CCC(NS(=O)(=O)C2=CC=C(Cl)C=C2OC)(C(=O)[O-])CC1	REAL300007651410	0	45	-1.0	-38.75	353.33	5.97	-32.78
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CCC1CCC(NS(=O)(=O)N2CCCCC2)(C(=O)[O-])CC1	REAL300007651412	0	46	-1.0	-46.29	306.81	5.13	-41.16
CCC1CCC(NS(=O)(=O)N2CCCC2)(C(=O)[O-])CC1	REAL300007651413	0	43	-1.0	-58.58	310.31	5.11	-53.47
CCC1CCC(NS(=O)(=O)N2CCC3=CC=CC=C3C2)(C(=O)[O-])CC1	REAL300007651414	0	50	-1.0	-54.53	363.56	7.06	-47.47
CCC1CCC(NS(=O)(=O)C2=CC=C(C)C3=NC=CC=C23)(C(=O)[O-])CC1	REAL300007651415	0	49	-1.0	-46.22	370.44	6.68	-39.54
CCC1CCC(NS(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651416	0	49	-1.0	-58.76	367.35	8.55	-50.21
CCC1CCC(NS(=O)(=O)N2CCC(C)CC2)(C(=O)[O-])CC1	REAL300007651417	0	49	-1.0	-59.41	354.22	6.20	-53.21
CCC1CCC(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)(C(=O)[O-])CC1	REAL300007651418	0	53	-1.0	-56.25	394.19	4.59	-51.66
CCC1CCC(NS(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)(C(=O)[O-])CC1	REAL300007651419	0	47	-1.0	-64.77	371.28	3.40	-61.37
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)(C(=O)[O-])CC1	REAL300007651420	0	51	-1.0	-62.43	381.43	9.53	-52.90
CCC1CCC(NS(=O)(=O)N2CC(C)CC(C)C2)(C(=O)[O-])CC1	REAL300007651421	0	52	-1.0	-38.73	364.55	6.30	-32.43
CCC1CCC(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)(C(=O)[O-])CC1	REAL300007651422	0	47	-1.0	-45.91	355.27	7.76	-38.15
CCC1CCC(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)(C(=O)[O-])CC1	REAL300007651423	0	51	-1.0	-58.42	383.65	9.47	-48.95
CCC1CCC(NS(=O)(=O)C2=CC(F)=CC=C2C)(C(=O)[O-])CC1	REAL300007651424	0	44	-1.0	-43.11	331.45	6.27	-36.84
CCC1CCC(NS(=O)(=O)C2=CC=CC3=NSN=C32)(C(=O)[O-])CC1	REAL300007651425	0	42	-1.0	-44.10	339.17	3.66	-40.44
CCC1CCC(NS(=O)(=O)C2=CC(Cl)=CC=C2OC)(C(=O)[O-])CC1	REAL300007651426	0	45	-1.0	-40.15	353.50	5.93	-34.22
CCC1CCC(NS(=O)(=O)C2=CC=CC(OC)=C2)(C(=O)[O-])CC1	REAL300007651427	0	45	-1.0	-58.45	338.72	5.03	-53.42
CCC1CCC(NS(=O)(=O)C2=CC=C(C(C)(C)CC)C=C2)(C(=O)[O-])CC1	REAL300007651428	0	56	-1.0	-57.53	399.83	8.84	-48.69
CCC1CCC(NS(=O)(=O)C2=CC=C(C)C(Cl)=C2)(C(=O)[O-])CC1	REAL300007651429	0	44	-1.0	-52.76	344.69	6.85	-45.91
CCC1CCC(NS(=O)(=O)C2=CC=C(OC(C)C)C=C2)(C(=O)[O-])CC1	REAL300007651430	0	51	-1.0	-42.44	379.09	6.72	-35.72
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CCC1CCC(NS(=O)(=O)C2=CC=CC=C2C)(C(=O)[O-])CC1	REAL300007651432	0	44	-1.0	-38.92	323.82	6.22	-32.70
CCC1CCC(NS(=O)(=O)C2=CN(C)C(C)=N2)(C(=O)[O-])CC1	REAL300007651433	0	44	-1.0	-62.93	331.88	5.74	-57.19
CCC1CCC(NS(=O)(=O)CC2=CC=CC(Cl)=C2)(C(=O)[O-])CC1	REAL300007651434	0	44	-1.0	-41.67	353.33	7.31	-34.36
CCC1CCC(NS(=O)(=O)C2=CC=CC3=NON=C32)(C(=O)[O-])CC1	REAL300007651435	0	42	-1.0	-42.97	330.40	4.08	-38.89
CCC1CCC(NS(=O)(=O)C2=CC=CC3=CC=CN=C32)(C(=O)[O-])CC1	REAL300007651436	0	46	-1.0	-49.49	354.49	5.98	-43.51
CCC1CCC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)(C(=O)[O-])CC1	REAL300007651437	0	47	-1.0	-37.04	364.83	6.12	-30.92
CCC1CCC(NS(=O)(=O)C2=CC=C(OC)C(F)=C2)(C(=O)[O-])CC1	REAL300007651438	0	45	-1.0	-56.09	344.93	5.10	-50.99
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CCC1CCC(NS(=O)(=O)CC2=CC=C(C)C=C2)(C(=O)[O-])CC1	REAL300007651440	0	47	-1.0	-43.53	358.00	7.47	-36.06
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CCC1CCC(NS(=O)(=O)C2=CC=CN=C2)(C(=O)[O-])CC1	REAL300007651442	0	40	-1.0	-54.74	304.22	3.85	-50.89
CCC1CCC(NS(=O)(=O)N2CCCCC2C)(C(=O)[O-])CC1	REAL300007651443	0	49	-1.0	-40.93	342.54	6.48	-34.45
CCC1CCC(NS(=O)(=O)N(C)C(C)C)(C(=O)[O-])CC1	REAL300007651444	0	45	-1.0	-59.00	322.59	5.16	-53.84
CCCN(CCC)S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651445	0	51	-1.0	-38.47	362.67	6.62	-31.85
CCC1CCC(NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)(C(=O)[O-])CC1	REAL300007651446	0	44	-1.0	-37.97	368.54	7.76	-30.21
CCC1CCC(NS(=O)(=O)C2=CC=C(OC)C3=CC=CC=C32)(C(=O)[O-])CC1	REAL300007651447	0	51	-1.0	-47.18	383.79	7.11	-40.07
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CCC1CCC(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)(C(=O)[O-])CC1	REAL300007651449	0	46	-1.0	-37.50	346.28	6.76	-30.74
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CCC1CCC(NS(=O)(=O)C2=CC=C(CC(C)C)C=C2)(C(=O)[O-])CC1	REAL300007651451	0	53	-1.0	-57.96	390.54	8.74	-49.22
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CCC1CCC(NS(=O)(=O)N(CCOC)CCOC)(C(=O)[O-])CC1	REAL300007651453	0	53	-1.0	-38.23	375.67	4.14	-34.09
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CCC1CCC(NS(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)(C(=O)[O-])CC1	REAL300007651455	0	51	-1.0	-46.05	378.48	6.10	-39.95
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CCC1CCC(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)(C(=O)[O-])CC1	REAL300007651457	0	55	-1.0	-57.10	403.49	8.21	-48.89
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CCC1CCC(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)(C(=O)[O-])CC1	REAL300007651473	0	44	-1.0	-38.02	370.07	7.81	-30.21
CCC1CCC(NS(=O)(=O)CC2CCCCC2)(C(=O)[O-])CC1	REAL300007651474	0	50	-1.0	-40.52	355.95	7.18	-33.34
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CCC1CCC(NS(=O)(=O)C2=CC(C)=C(OC)C=C2C)(C(=O)[O-])CC1	REAL300007651479	0	51	-1.0	-44.10	374.45	6.26	-37.84
CCC1CCC(NS(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)(C(=O)[O-])CC1	REAL300007651480	0	49	-1.0	-52.85	362.11	7.11	-45.74
CCC1CCC(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)(C(=O)[O-])CC1	REAL300007651481	0	46	-1.0	-44.70	350.75	5.95	-38.75
CCC1CCC(NS(=O)(=O)C2=CN(CC)N=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651482	0	46	-1.0	-52.66	361.69	6.68	-45.98
CCC1CCC([N-]S(=O)(=O)C2=CN(CC)N=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651482	1	45	-2.0	-122.44	371.67	7.32	-115.12
CCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)=C1	REAL300007651483	0	49	-1.0	-67.47	372.32	7.00	-60.47
CCC1CCC(NS(=O)(=O)N(C)C2CC2)(C(=O)[O-])CC1	REAL300007651484	0	43	-1.0	-36.10	306.75	4.33	-31.77
CCC1CCC(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)(C(=O)[O-])CC1	REAL300007651485	0	51	-1.0	-48.89	394.14	6.81	-42.08
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CCC1CCC(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)(C(=O)[O-])CC1	REAL300007651492	0	46	-1.0	-70.01	357.51	5.90	-64.11
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CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C=C1	REAL300007651495	0	57	-1.0	-57.17	425.27	8.64	-48.53
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CCC1CCC(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)(C(=O)[O-])CC1	REAL300007651497	0	47	-1.0	-45.83	361.42	7.88	-37.95
CCC1CCC(NS(=O)(=O)C2=CC=C3COCC3=C2)(C(=O)[O-])CC1	REAL300007651498	0	46	-1.0	-46.86	342.95	4.57	-42.29
CCC1CCC(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)(C(=O)[O-])CC1	REAL300007651499	0	49	-1.0	-53.94	376.55	7.34	-46.60
CCC1CCC(NS(=O)(=O)C2CCS(=O)(=O)CC2)(C(=O)[O-])CC1	REAL300007651500	0	47	-1.0	-40.71	353.11	2.27	-38.44
CCC1CCC(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)(C(=O)[O-])CC1	REAL300007651501	0	46	-1.0	-63.14	357.64	6.22	-56.92
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C(C)=C1	REAL300007651502	0	51	-1.0	-40.14	375.29	6.46	-33.68
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2OC(F)F)(C(=O)[O-])CC1	REAL300007651503	0	45	-1.0	-42.43	347.72	5.82	-36.61
CCC1CCC(NS(=O)(=O)C2=CC=C(SC)C=C2)(C(=O)[O-])CC1	REAL300007651504	0	45	-1.0	-42.19	350.30	6.87	-35.32
CCCCCCCS(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651505	0	52	-1.0	-39.91	384.22	7.69	-32.22
CCC1CCC(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)(C(=O)[O-])CC1	REAL300007651506	0	47	-1.0	-41.74	375.66	7.82	-33.92
CCC1CCC(NS(=O)(=O)N(CC)CC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300007651507	0	52	-1.0	-40.23	378.03	8.25	-31.98
CCC1CCC(NS(=O)(=O)C2=CN(CC)C(C)=N2)(C(=O)[O-])CC1	REAL300007651508	0	47	-1.0	-62.43	353.95	6.64	-55.79
CCC1CCC(NS(=O)(=O)C2=CC=CC3=C2OCCO3)(C(=O)[O-])CC1	REAL300007651509	0	47	-1.0	-45.94	357.86	5.14	-40.80
CCC1CCC(NS(=O)(=O)C2=CC=CC3=NC=CC=C23)(C(=O)[O-])CC1	REAL300007651510	0	46	-1.0	-45.08	350.32	5.86	-39.22
CCC1CCC(NS(=O)(=O)CC2CCCO2)(C(=O)[O-])CC1	REAL300007651511	0	45	-1.0	-41.04	329.09	3.73	-37.31
CCC1CCC(NS(=O)(=O)CC2CCCCO2)(C(=O)[O-])CC1	REAL300007651512	0	48	-1.0	-40.71	346.76	4.86	-35.85
CCC1CCC(NS(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)(C(=O)[O-])CC1	REAL300007651513	0	47	-1.0	-52.22	363.66	7.25	-44.97
CCC1CCC(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)(C(=O)[O-])CC1	REAL300007651514	0	50	-1.0	-54.09	374.11	7.33	-46.76
CCC1CCC(NS(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)(C(=O)[O-])CC1	REAL300007651515	0	49	-1.0	-44.48	376.56	5.54	-38.94
CCC1CCC(NS(=O)(=O)CC2=CC(Cl)=CC=C2OC)(C(=O)[O-])CC1	REAL300007651516	0	48	-1.0	-45.52	381.56	6.69	-38.83
CCC1CCC(NS(=O)(=O)C2=CC=CC(COC)=C2)(C(=O)[O-])CC1	REAL300007651517	0	48	-1.0	-49.10	362.04	4.99	-44.11
CCC1CCC(NS(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)(C(=O)[O-])CC1	REAL300007651518	0	52	-1.0	-60.84	389.10	7.10	-53.74
CCC1CCC(NS(=O)(=O)C2=CN(CC)N=C2)(C(=O)[O-])CC1	REAL300007651519	0	44	-1.0	-47.08	334.40	3.81	-43.27
CCC1CCC(NS(=O)(=O)CC2=CC=CC=C2Cl)(C(=O)[O-])CC1	REAL300007651520	0	44	-1.0	-44.95	350.20	7.24	-37.71
CCC1CCC(NS(=O)(=O)N(C)C(C)C2CC2)(C(=O)[O-])CC1	REAL300007651521	0	49	-1.0	-57.96	342.59	6.35	-51.61
CCC1CCC(NS(=O)(=O)C2=CC=NN2C)(C(=O)[O-])CC1	REAL300007651522	0	41	-1.0	-47.47	305.96	3.65	-43.82
CCC1CCC(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)(C(=O)[O-])CC1	REAL300007651523	0	44	-1.0	-45.81	363.74	7.69	-38.12
CCC1CCC(NS(=O)(=O)CC2CCOC2)(C(=O)[O-])CC1	REAL300007651524	0	45	-1.0	-37.18	327.98	3.30	-33.88
CCC1CCC(NS(=O)(=O)C2=CC=C3OC(C)CC3=C2)(C(=O)[O-])CC1	REAL300007651525	0	49	-1.0	-54.61	366.17	6.34	-48.27
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651526	0	53	-1.0	-55.15	358.97	8.96	-46.19
CCC1CCC(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)(C(=O)[O-])CC1	REAL300007651527	0	47	-1.0	-58.66	371.05	7.40	-51.26
CCCCCS(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651528	0	46	-1.0	-39.79	341.19	6.12	-33.67
CCC1CCC(NS(=O)(=O)N(C)CCOC)(C(=O)[O-])CC1	REAL300007651529	0	46	-1.0	-39.62	338.52	3.69	-35.93
CCC1CCC(NS(=O)(=O)N(C)CC2CC2)(C(=O)[O-])CC1	REAL300007651530	0	46	-1.0	-38.65	338.12	6.13	-32.52
CCC1CCC(NS(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)(C(=O)[O-])CC1	REAL300007651531	0	50	-1.0	-46.39	386.52	4.92	-41.47
CCC1CCC(NS(=O)(=O)C2=CN(C)N=C2C(F)(F)F)(C(=O)[O-])CC1	REAL300007651532	0	44	-1.0	-40.34	348.69	4.17	-36.17
CCC1CCC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)(C(=O)[O-])CC1	REAL300007651532	1	43	-2.0	-131.36	355.10	5.46	-125.90
CCC1CCC(NS(=O)(=O)C2=C(C)OC(C)=C2)(C(=O)[O-])CC1	REAL300007651533	0	44	-1.0	-41.53	331.85	5.00	-36.53
CCC1CCC(NS(=O)(=O)C2=CC(C)=CS2)(C(=O)[O-])CC1	REAL300007651534	0	41	-1.0	-46.11	321.86	5.08	-41.03
CCC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3O2)(C(=O)[O-])CC1	REAL300007651535	0	44	-1.0	-45.19	340.37	6.01	-39.18
CCC1CCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)(C(=O)[O-])CC1	REAL300007651535	1	43	-2.0	-135.85	347.13	7.09	-128.76
CCC1CCC(NS(=O)(=O)C2=CC=C3OCOC3=C2)(C(=O)[O-])CC1	REAL300007651536	0	44	-1.0	-52.34	335.28	4.39	-47.95
CCC1CCC(NS(=O)(=O)C2=CC=C(OC)N=C2)(C(=O)[O-])CC1	REAL300007651537	0	44	-1.0	-51.04	336.35	2.41	-48.63
CCC1CCC(NS(=O)(=O)C2=CC=CO2)(C(=O)[O-])CC1	REAL300007651538	0	38	-1.0	-44.22	293.28	3.59	-40.63
CCC1CCC(NS(=O)(=O)C2=CN=C3CCCN23)(C(=O)[O-])CC1	REAL300007651539	0	45	-1.0	-60.62	337.91	5.69	-54.93
CCC1CCC(NS(=O)(=O)C2=COC=C2)(C(=O)[O-])CC1	REAL300007651540	0	38	-1.0	-47.11	291.04	3.23	-43.88
CCC1CCC(NS(=O)(=O)C2=C(C)C=CS2)(C(=O)[O-])CC1	REAL300007651541	0	41	-1.0	-45.92	316.76	5.15	-40.77
CCC1CCC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)(C(=O)[O-])CC1	REAL300007651542	0	49	-1.0	-46.76	360.94	5.92	-40.84
CCC1CCC(NS(=O)(=O)C2CC3=CC=CC=C3C2)(C(=O)[O-])CC1	REAL300007651543	0	48	-1.0	-42.62	356.65	7.33	-35.29
CCC1CCC(NS(=O)(=O)C2CCOC2)(C(=O)[O-])CC1	REAL300007651544	0	42	-1.0	-40.19	307.48	3.13	-37.06
CCC1CCC(NS(=O)(=O)C2=CNC=N2)(C(=O)[O-])CC1	REAL300007651545	0	38	-1.0	-67.52	292.38	3.95	-63.57
CCC1CCC(NS(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)(C(=O)[O-])CC1	REAL300007651546	0	51	-1.0	-46.70	390.33	7.04	-39.66
CCC1CCC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)(C(=O)[O-])CC1	REAL300007651547	0	46	-1.0	-36.66	351.95	6.49	-30.17
CCC1CCC(NS(=O)(=O)CCCCF)(C(=O)[O-])CC1	REAL300007651548	0	43	-1.0	-40.72	326.31	5.48	-35.24
CCC1CCC(NS(=O)(=O)C2=CN(C)N=C2C)(C(=O)[O-])CC1	REAL300007651549	0	44	-1.0	-41.72	331.06	3.55	-38.17
CCC1CCC(NS(=O)(=O)C2=CC=C(C)O2)(C(=O)[O-])CC1	REAL300007651550	0	41	-1.0	-44.24	315.26	4.42	-39.82
CCC1CCC(NS(=O)(=O)C2=C(C)C=NN2C)(C(=O)[O-])CC1	REAL300007651551	0	44	-1.0	-49.34	327.68	4.04	-45.30
CCC1CCC(NS(=O)(=O)C2=CN=C3C=CSC3=C2)(C(=O)[O-])CC1	REAL300007651552	0	43	-1.0	-53.41	341.20	5.13	-48.28
CCC1CCC(NS(=O)(=O)C2=CC=C(N(C)C)C=C2)(C(=O)[O-])CC1	REAL300007651553	0	49	-1.0	-59.86	361.57	6.45	-53.41
CCC1CCC(NS(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)(C(=O)[O-])CC1	REAL300007651554	0	50	-1.0	-55.83	376.62	8.66	-47.17
CCC1CCC(NS(=O)(=O)C2=C(OC)C=CS2)(C(=O)[O-])CC1	REAL300007651555	0	42	-1.0	-49.66	329.23	4.15	-45.51
C=CCCCS(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651556	0	44	-1.0	-39.69	332.50	5.90	-33.79
CCC1CCC(NS(=O)(=O)C2=CC=CC(N(C)C)=C2)(C(=O)[O-])CC1	REAL300007651557	0	49	-1.0	-48.77	358.47	5.67	-43.10
CCC1CCC(NS(=O)(=O)CC2CCC2)(C(=O)[O-])CC1	REAL300007651558	0	44	-1.0	-40.43	324.88	5.87	-34.56
CCC1CCC(NS(=O)(=O)C2=CC=CC3=C2OCC3)(C(=O)[O-])CC1	REAL300007651559	0	46	-1.0	-46.73	351.01	5.27	-41.46
CCC1CCC(NS(=O)(=O)CC2=NOC3=CC=CC=C32)(C(=O)[O-])CC1	REAL300007651560	0	46	-1.0	-45.90	359.97	6.13	-39.77
CCC1CCC(NS(=O)(=O)C2=CC=C3CCOC3=C2)(C(=O)[O-])CC1	REAL300007651561	0	46	-1.0	-47.04	346.00	5.69	-41.35
CCC1CCC(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)(C(=O)[O-])CC1	REAL300007651562	0	47	-1.0	-39.89	374.84	8.10	-31.79
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CCC1CCC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)(C(=O)[O-])CC1	REAL300007651564	0	43	-1.0	-48.36	344.68	5.05	-43.31
CCC1CCC(NS(=O)(=O)C2=C(OC)C=CC=C2OC)(C(=O)[O-])CC1	REAL300007651565	0	49	-1.0	-66.18	362.93	6.37	-59.81
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CCC1CCC(NS(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)(C(=O)[O-])CC1	REAL300007651568	0	49	-1.0	-41.13	374.95	7.42	-33.71
CCC1CCC(NS(=O)(=O)CCC2=CC=C(OC)C=C2)(C(=O)[O-])CC1	REAL300007651569	0	51	-1.0	-42.89	387.61	6.88	-36.01
CCC1CCC(NS(=O)(=O)C2=CN=CC(OC)=C2)(C(=O)[O-])CC1	REAL300007651570	0	44	-1.0	-53.73	333.75	3.20	-50.53
CCC1CCC(NS(=O)(=O)C2=CC=C(C(C)(C)C)S2)(C(=O)[O-])CC1	REAL300007651571	0	50	-1.0	-46.33	381.38	7.06	-39.27
CCC1CCC(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)(C(=O)[O-])CC1	REAL300007651572	0	48	-1.0	-57.77	358.61	8.16	-49.61
CCC1CCC(NS(=O)(=O)C2=CC(OC)=CC(OC)=C2)(C(=O)[O-])CC1	REAL300007651573	0	49	-1.0	-57.16	368.24	4.34	-52.82
CCC1CCC(NS(=O)(=O)CCC2CCCCC2)(C(=O)[O-])CC1	REAL300007651574	0	53	-1.0	-40.70	378.88	7.75	-32.95
CCC1CCC(NS(=O)(=O)CCC2=CC=C(C)C=C2)(C(=O)[O-])CC1	REAL300007651575	0	50	-1.0	-42.34	379.51	8.26	-34.08
CCC1CCC(NS(=O)(=O)C2=CC3=C(C=C2C)OCO3)(C(=O)[O-])CC1	REAL300007651576	0	47	-1.0	-57.16	352.61	5.31	-51.85
CCC1CCC(NS(=O)(=O)C2=C3OC=CC3=CC=C2)(C(=O)[O-])CC1	REAL300007651577	0	44	-1.0	-47.01	342.69	5.79	-41.22
CCC1CCC(NS(=O)(=O)C2=CC=C(Cl)C(OC)=C2)(C(=O)[O-])CC1	REAL300007651578	0	45	-1.0	-51.43	354.76	5.60	-45.83
CCC1CCC(NS(=O)(=O)CCC2CCCC2)(C(=O)[O-])CC1	REAL300007651579	0	50	-1.0	-40.46	362.80	7.20	-33.26
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CCC1CCC(NS(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)(C(=O)[O-])CC1	REAL300007651581	0	49	-1.0	-53.41	362.71	7.23	-46.18
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CCC1CCC(NS(=O)(=O)C2=C(C)C=C(C)C=C2OC)(C(=O)[O-])CC1	REAL300007651585	0	51	-1.0	-56.66	370.43	7.29	-49.37
CCC1CCC(NS(=O)(=O)C2=CC(C)=C(C)S2)(C(=O)[O-])CC1	REAL300007651586	0	44	-1.0	-46.04	341.23	5.75	-40.29
CCC1CCC(NS(=O)(=O)C2=CC(Cl)=CN=C2N)(C(=O)[O-])CC1	REAL300007651587	0	42	-1.0	-39.61	336.79	2.92	-36.69
CCC1CCC(NS(=O)(=O)C2=CN=C(C)S2)(C(=O)[O-])CC1	REAL300007651588	0	40	-1.0	-54.55	317.36	3.83	-50.72
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CCC1CCC([N-]S(=O)(=O)C2=C(C)ON=C2N)(C(=O)[O-])CC1	REAL300007651590	1	41	-2.0	-112.25	323.87	2.82	-109.43
CCC1CCC(NS(=O)(=O)C2=CC=C(N(C)C)N=C2)(C(=O)[O-])CC1	REAL300007651591	0	48	-1.0	-48.27	356.59	5.02	-43.25
CCC1CCC(NS(=O)(=O)C2=C(C)C=C(C)S2)(C(=O)[O-])CC1	REAL300007651592	0	44	-1.0	-46.08	338.66	5.95	-40.13
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)(C(=O)[O-])CC1	REAL300007651593	0	47	-1.0	-61.13	359.92	7.36	-53.77
CCC1CCC(NS(=O)(=O)C2=CC=CC3=C2OCO3)(C(=O)[O-])CC1	REAL300007651594	0	44	-1.0	-42.60	335.07	4.16	-38.44
CCC1CCC(NS(=O)(=O)C2=CC(C)=C(F)C(C)=C2)(C(=O)[O-])CC1	REAL300007651595	0	47	-1.0	-38.49	354.45	6.65	-31.84
CCC1CCC(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)(C(=O)[O-])CC1	REAL300007651596	0	48	-1.0	-52.09	362.98	5.02	-47.07
CCC1CCC(NS(=O)(=O)CCCOCC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300007651597	0	54	-1.0	-40.77	413.61	7.64	-33.13
CCC1CCC(NS(=O)(=O)C2=CNC3=CC=CC(F)=C32)(C(=O)[O-])CC1	REAL300007651598	0	45	-1.0	-47.53	354.72	5.57	-41.96
CCC1CCC(NS(=O)(=O)C2=C3N=CSC3=CC=C2)(C(=O)[O-])CC1	REAL300007651599	0	43	-1.0	-46.35	345.63	4.76	-41.59
CCC1CCC(NS(=O)(=O)C2=CC=C(C)N=C2)(C(=O)[O-])CC1	REAL300007651600	0	43	-1.0	-52.99	325.79	4.56	-48.43
CCC1CCC(NS(=O)(=O)CC2=CSC(C)=N2)(C(=O)[O-])CC1	REAL300007651601	0	43	-1.0	-44.34	339.89	3.86	-40.48
CCC1CCC(NS(=O)(=O)CC(OC)C2CC2)(C(=O)[O-])CC1	REAL300007651602	0	48	-1.0	-42.32	355.88	5.55	-36.77
CCC1CCC(NS(=O)(=O)CC2=CC=C(Cl)C=C2)(C(=O)[O-])CC1	REAL300007651603	0	44	-1.0	-39.48	353.32	7.32	-32.16
CCC1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C)=C2)(C(=O)[O-])CC1	REAL300007651604	0	44	-1.0	-44.17	342.44	6.37	-37.80
CCC1CCC(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)(C(=O)[O-])CC1	REAL300007651605	0	47	-1.0	-51.85	355.35	6.28	-45.57
CCC1CCC(NS(=O)(=O)C2=CC=CC3=C2OCCC3)(C(=O)[O-])CC1	REAL300007651606	0	49	-1.0	-45.91	366.89	6.69	-39.22
CCC1CCC(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)(C(=O)[O-])CC1	REAL300007651607	0	50	-1.0	-47.86	376.39	5.85	-42.01
CCC1CCC(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)(C(=O)[O-])CC1	REAL300007651608	0	44	-1.0	-41.86	354.95	7.26	-34.60
CCC1CCC(NS(=O)(=O)C2(CC)CC2)(C(=O)[O-])CC1	REAL300007651609	0	44	-1.0	-63.39	313.17	6.14	-57.25
CCC(C)OC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)=CC=C1	REAL300007651610	0	54	-1.0	-59.58	401.28	7.58	-52.00
CCC1CCC(NS(=O)(=O)CC(OC)C2CCCC2)(C(=O)[O-])CC1	REAL300007651611	0	54	-1.0	-42.52	386.50	6.33	-36.19
CCC1CCC(NS(=O)(=O)CC(OC)C2CCCCC2)(C(=O)[O-])CC1	REAL300007651612	0	57	-1.0	-42.94	404.59	7.19	-35.75
CCC1CCC(NS(=O)(=O)C2COC(C)(C)C2)(C(=O)[O-])CC1	REAL300007651613	0	48	-1.0	-42.64	352.57	4.54	-38.10
CCOC(CS(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1)C1CC1	REAL300007651614	0	51	-1.0	-42.58	382.37	6.15	-36.43
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CCC1CCC(NS(=O)(=O)C2=CN=C(C3CC3)S2)(C(=O)[O-])CC1	REAL300007651616	0	44	-1.0	-44.79	348.84	4.91	-39.88
CCC1CCC(NS(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)(C(=O)[O-])CC1	REAL300007651617	0	49	-1.0	-39.44	372.43	7.77	-31.67
CCC1CCC(NS(=O)(=O)C2=C(C3CC3)C=NN2C)(C(=O)[O-])CC1	REAL300007651618	0	48	-1.0	-51.51	358.06	5.49	-46.02
CCC1CCC(NS(=O)(=O)C2=CC(C(F)(F)F)=NN2C)(C(=O)[O-])CC1	REAL300007651619	0	44	-1.0	-44.69	347.43	4.91	-39.78
CCC1CCC(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)(C(=O)[O-])CC1	REAL300007651620	0	51	-1.0	-48.94	380.43	8.80	-40.14
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)=C(C)C=C1OC	REAL300007651621	0	54	-1.0	-44.26	396.06	6.99	-37.27
CCC1CCC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651622	0	42	-2.0	-148.92	345.88	5.55	-143.37
CCC1CCC(NS(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651622	1	43	-1.0	-70.06	338.38	5.26	-64.80
CCC1CCC(NS(=O)(=O)C2=C(C)C=CC3=CC=CC=C32)(C(=O)[O-])CC1	REAL300007651623	0	50	-1.0	-50.90	360.80	8.42	-42.48
CCC1CCC(NS(=O)(=O)C2=CC=C(OC(C)C)N=C2)(C(=O)[O-])CC1	REAL300007651624	0	50	-1.0	-51.77	378.40	4.19	-47.58
CCC1CCC(NS(=O)(=O)C2=CC=CC(F)=C2OC)(C(=O)[O-])CC1	REAL300007651625	0	45	-1.0	-42.81	347.06	5.50	-37.31
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C=C1C(C)C	REAL300007651626	0	57	-1.0	-55.17	419.11	7.99	-47.18
CCC1CCC(NS(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)(C(=O)[O-])CC1	REAL300007651627	0	53	-1.0	-54.89	387.45	7.98	-46.91
CCC1CCC(NS(=O)(=O)C2=C3CCCCC3=NN2C)(C(=O)[O-])CC1	REAL300007651628	0	51	-1.0	-44.12	368.60	5.27	-38.85
CCC1CCC(NS(=O)(=O)C2=CN(C)N=C2C(C)(C)C)(C(=O)[O-])CC1	REAL300007651629	0	53	-1.0	-59.49	380.98	5.96	-53.53
CCC1CCC(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)(C(=O)[O-])CC1	REAL300007651630	0	51	-1.0	-57.60	377.40	6.32	-51.28
CCC1CCC(NS(=O)(=O)C2=C(C(F)(F)F)C=NN2C)(C(=O)[O-])CC1	REAL300007651631	0	44	-1.0	-35.43	336.83	4.37	-31.06
CCC1CCC(NS(=O)(=O)CC2=CC(F)=CC=C2OC)(C(=O)[O-])CC1	REAL300007651632	0	48	-1.0	-45.74	371.24	6.23	-39.51
C=CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C=C1	REAL300007651633	0	51	-1.0	-57.73	386.25	8.81	-48.92
CCC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651634	0	47	-1.0	-53.24	357.32	4.90	-48.34
CCC1CCC(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)(C(=O)[O-])CC1	REAL300007651635	0	45	-1.0	-55.72	362.18	8.01	-47.71
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C=C1CC	REAL300007651636	0	57	-1.0	-54.51	423.77	8.24	-46.27
CCC1CCC(NS(=O)(=O)C2=C(C)C=C(Cl)C=C2C)(C(=O)[O-])CC1	REAL300007651637	0	47	-1.0	-38.47	357.80	7.92	-30.55
CCC1CCC(NS(=O)(=O)CCCC2CC2)(C(=O)[O-])CC1	REAL300007651638	0	47	-1.0	-39.89	351.31	6.90	-32.99
CCC1CCC(NS(=O)(=O)C=CC2=CC=CC=C2Cl)(C(=O)[O-])CC1	REAL300007651639	0	45	-1.0	-57.32	359.68	7.92	-49.40
CCCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651640	0	50	-1.0	-57.18	363.71	8.39	-48.79
CCC1CCC(NS(=O)(=O)C2=CC=CN=C2OC)(C(=O)[O-])CC1	REAL300007651641	0	44	-1.0	-41.96	335.69	2.73	-39.23
CCC1CCC(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)(C(=O)[O-])CC1	REAL300007651642	0	46	-1.0	-44.91	350.49	5.93	-38.98
CCC1CCC(NS(=O)(=O)C2=CN=C(C)N2C)(C(=O)[O-])CC1	REAL300007651643	0	44	-1.0	-58.76	330.01	5.19	-53.57
CCC1CCC(NS(=O)(=O)C2=CC=CC=N2)(C(=O)[O-])CC1	REAL300007651644	0	40	-1.0	-60.62	304.78	5.04	-55.58
CCC1CCC(NS(=O)(=O)C2=C(C)SC=C2C)(C(=O)[O-])CC1	REAL300007651645	0	44	-1.0	-51.50	332.84	5.86	-45.64
CCC1CCC(NS(=O)(=O)C2=CN(C3CCC3)N=C2)(C(=O)[O-])CC1	REAL300007651646	0	48	-1.0	-46.23	358.17	4.93	-41.30
CCC1CCC(NS(=O)(=O)C2=CC=NN2C2CCC2)(C(=O)[O-])CC1	REAL300007651647	0	48	-1.0	-41.54	355.23	5.42	-36.12
CCC1CCC(NS(=O)(=O)C2=CC=NN2CC2CCC2)(C(=O)[O-])CC1	REAL300007651648	0	51	-1.0	-43.76	376.58	5.87	-37.89
CCC1CCC(NS(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)(C(=O)[O-])CC1	REAL300007651649	0	52	-1.0	-45.49	383.87	3.73	-41.76
CCC1CCC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)(C(=O)[O-])CC1	REAL300007651650	0	47	-1.0	-46.06	375.11	6.32	-39.74
CCC1CCC(NS(=O)(=O)C2=CN=C3CCCCN23)(C(=O)[O-])CC1	REAL300007651651	0	48	-1.0	-49.94	354.99	5.52	-44.42
CCC1CCC(NS(=O)(=O)C2=CC(C)=C(OC)C=C2C(C)C)(C(=O)[O-])CC1	REAL300007651652	0	57	-1.0	-57.72	413.40	7.91	-49.81
CCC1CCC(NS(=O)(=O)C2=CC(F)=CC=C2OC(C)C)(C(=O)[O-])CC1	REAL300007651653	0	51	-1.0	-59.06	385.56	7.25	-51.81
CCC1CCC(NS(=O)(=O)C2=CC=CC3=C2OC(C)C3)(C(=O)[O-])CC1	REAL300007651654	0	49	-1.0	-45.93	372.09	6.07	-39.86
CCC1CCC(NS(=O)(=O)C2=CN=C(C(C)(C)C)S2)(C(=O)[O-])CC1	REAL300007651655	0	49	-1.0	-45.05	377.19	5.09	-39.96
CCC1CCC(NS(=O)(=O)C2=C3N=CC=CN3N=C2C)(C(=O)[O-])CC1	REAL300007651656	0	46	-1.0	-62.71	349.86	5.29	-57.42
CCC1CCC(NS(=O)(=O)C2=CN=NN2CC)(C(=O)[O-])CC1	REAL300007651657	0	43	-1.0	-41.00	322.48	2.52	-38.48
CCC1CCC(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)(C(=O)[O-])CC1	REAL300007651658	0	50	-1.0	-59.12	351.20	6.68	-52.44
CCC1CCC(NS(=O)(=O)C2=CC3=NON=C3C=C2)(C(=O)[O-])CC1	REAL300007651659	0	42	-1.0	-37.47	322.28	4.07	-33.40
CCC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3S2)(C(=O)[O-])CC1	REAL300007651660	0	44	-1.0	-47.09	347.14	6.85	-40.24
CCC1CCC(NS(=O)(=O)C2=CC(C3CC3)=NN2C)(C(=O)[O-])CC1	REAL300007651661	0	48	-1.0	-47.40	358.58	5.75	-41.65
CCC1CCC(NS(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)(C(=O)[O-])CC1	REAL300007651662	0	50	-1.0	-49.91	363.46	8.10	-41.81
CCC1CCC(NS(=O)(=O)C2=CC=CC(OC)=C2OC)(C(=O)[O-])CC1	REAL300007651663	0	49	-1.0	-46.46	370.39	5.34	-41.12
CCC1CCC(NS(=O)(=O)C2=COC3=CC=CC=C23)(C(=O)[O-])CC1	REAL300007651664	0	44	-1.0	-42.19	338.09	5.59	-36.60
CCC1CCC(NS(=O)(=O)C2=CN(C)N=C2C2CCCC2)(C(=O)[O-])CC1	REAL300007651665	0	54	-1.0	-53.88	400.48	6.67	-47.21
CCC1CCC(NS(=O)(=O)C2=C(C)N(C(C)C)N=C2C)(C(=O)[O-])CC1	REAL300007651666	0	53	-1.0	-56.11	388.31	6.26	-49.85
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)C(C)=N1	REAL300007651667	0	53	-1.0	-43.54	402.39	6.14	-37.40
CCC1CCC(NS(=O)(=O)C2=CN(C)N=C2C2CC2)(C(=O)[O-])CC1	REAL300007651668	0	48	-1.0	-53.86	369.10	5.71	-48.15
CCC1CCC(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)(C(=O)[O-])CC1	REAL300007651669	0	45	-1.0	-57.29	348.68	5.62	-51.67
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CCC1CCC(NS(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)(C(=O)[O-])CC1	REAL300007651673	0	59	-1.0	-58.99	424.34	9.82	-49.17
CCC1CCC(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)(C(=O)[O-])CC1	REAL300007651674	0	51	-1.0	-48.32	382.16	5.89	-42.43
CCC1CCC(NS(=O)(=O)C2=C(C3CC3)C=CS2)(C(=O)[O-])CC1	REAL300007651675	0	45	-1.0	-45.85	346.43	6.24	-39.61
CCC1CCC(NS(=O)(=O)C2=C(OC)C=CC3=CC=CN=C32)(C(=O)[O-])CC1	REAL300007651676	0	50	-1.0	-63.24	372.30	6.46	-56.78
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CCC1CCC(NS(=O)(=O)C2=C3CCCC3=NN2C)(C(=O)[O-])CC1	REAL300007651678	0	48	-1.0	-54.59	354.13	5.69	-48.90
CCC1CCC(NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)(C(=O)[O-])CC1	REAL300007651679	0	47	-1.0	-56.32	339.34	5.59	-50.73
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CCC1CCC(NS(=O)(=O)C2=CC=NN2C(C)(C)C)(C(=O)[O-])CC1	REAL300007651681	0	50	-1.0	-43.04	354.83	5.29	-37.75
CCC1CCC(NS(=O)(=O)C2=CN(C(C)(C)C)N=C2)(C(=O)[O-])CC1	REAL300007651682	0	50	-1.0	-46.60	372.86	4.96	-41.64
CCC1CCC(NS(=O)(=O)C2=CNN=C2C2CCC2)(C(=O)[O-])CC1	REAL300007651683	0	48	-1.0	-52.28	361.08	4.89	-47.39
CCC1CCC(NS(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)(C(=O)[O-])CC1	REAL300007651684	0	46	-1.0	-51.20	361.45	5.61	-45.59
CCC1CCC(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)(C(=O)[O-])CC1	REAL300007651685	0	44	-1.0	-36.98	355.69	6.93	-30.05
CCC1CCC(NS(=O)(=O)C2=CC(C)=NN2C)(C(=O)[O-])CC1	REAL300007651686	0	44	-1.0	-50.31	328.20	4.52	-45.79
CCC1CCC(NS(=O)(=O)C2=CC=CC(C)=C2C)(C(=O)[O-])CC1	REAL300007651687	0	47	-1.0	-39.77	340.86	6.79	-32.98
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)=C1	REAL300007651688	0	52	-1.0	-67.08	393.81	7.76	-59.32
CCC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)(C(=O)[O-])CC1	REAL300007651689	0	52	-1.0	-60.86	376.80	9.15	-51.71
CCC1CCC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)(C(=O)[O-])CC1	REAL300007651690	0	47	-1.0	-55.40	370.93	7.11	-48.29
CCC1CCC(NS(=O)(=O)N2CC3=CC=CC=C3C2)(C(=O)[O-])CC1	REAL300007651691	0	47	-1.0	-54.53	351.51	6.46	-48.07
CCC1CCC(NS(=O)(=O)N(C)C2CCC2)(C(=O)[O-])CC1	REAL300007651692	0	46	-1.0	-38.64	321.72	5.38	-33.26
CCC1CCC(NS(=O)(=O)CC2=NOC3=C2COCC3)(C(=O)[O-])CC1	REAL300007651693	0	48	-1.0	-47.02	365.92	4.43	-42.59
CCC1CCC(NC(=O)N2CCC(F)(F)CC2)(C(=O)[O-])CC1	REAL300007651694	0	45	-1.0	-54.15	327.52	8.04	-46.11
CCC1CCC(NS(=O)(=O)C2=CSC=C2C(F)(F)F)(C(=O)[O-])CC1	REAL300007651695	0	41	-1.0	-35.02	325.04	5.64	-29.38
CCC1CCC(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)(C(=O)[O-])CC1	REAL300007651696	0	48	-1.0	-56.55	358.44	7.82	-48.73
CCC1CCC(NS(=O)(=O)C2=C(OC)SC=C2)(C(=O)[O-])CC1	REAL300007651697	0	42	-1.0	-40.23	330.84	4.23	-36.00
CCC1CCC(NS(=O)(=O)C2=CC=NN2C2CCCC2)(C(=O)[O-])CC1	REAL300007651698	0	51	-1.0	-43.90	373.64	5.85	-38.05
CCC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651699	0	50	-1.0	-51.25	370.10	5.67	-45.58
CCC1CCC(NS(=O)(=O)N(C)C(C)(C)C)(C(=O)[O-])CC1	REAL300007651700	0	48	-1.0	-40.06	332.80	5.71	-34.35
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)O1	REAL300007651701	0	44	-1.0	-58.95	337.34	5.96	-52.99
CCC1CCC(NS(=O)(=O)N(C)C2CCCCCC2)(C(=O)[O-])CC1	REAL300007651702	0	55	-1.0	-59.25	377.14	7.49	-51.76
CCC1CCC(NS(=O)(=O)C2=CN(C)N=C2C2CCOCC2)(C(=O)[O-])CC1	REAL300007651703	0	55	-1.0	-53.86	409.42	4.96	-48.90
CCC1CCC(NS(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)(C(=O)[O-])CC1	REAL300007651704	0	47	-1.0	-47.67	360.20	6.80	-40.87
CCC1CCC(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)(C(=O)[O-])CC1	REAL300007651705	0	45	-1.0	-56.23	348.48	5.31	-50.92
CCC1CCC(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)(C(=O)[O-])CC1	REAL300007651706	0	56	-1.0	-55.73	401.00	8.44	-47.29
CCC1CCC(NS(=O)(=O)C2=CC=C(OC)S2)(C(=O)[O-])CC1	REAL300007651707	0	42	-1.0	-45.67	332.15	3.86	-41.81
CCC1CCC(NS(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)(C(=O)[O-])CC1	REAL300007651708	0	52	-1.0	-67.49	380.25	8.33	-59.16
CCC1CCC(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)(C(=O)[O-])CC1	REAL300007651709	0	49	-1.0	-47.03	369.72	6.42	-40.61
CCC1CCC(NS(=O)(=O)C2=CN(CCF)N=C2)(C(=O)[O-])CC1	REAL300007651710	0	44	-1.0	-58.15	342.59	4.65	-53.50
CCOCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)=C1	REAL300007651711	0	51	-1.0	-49.22	383.91	5.96	-43.26
CCC1CCC(NS(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)(C(=O)[O-])CC1	REAL300007651712	0	51	-1.0	-47.92	385.39	7.21	-40.71
CCC1CCC(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)(C(=O)[O-])CC1	REAL300007651713	0	54	-1.0	-45.56	394.68	6.19	-39.37
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2CF)(C(=O)[O-])CC1	REAL300007651714	0	44	-1.0	-38.29	329.61	6.38	-31.91
CCC1CCC(NS(=O)(=O)C2=CN=CC(C)=C2)(C(=O)[O-])CC1	REAL300007651715	0	43	-1.0	-52.85	325.61	4.60	-48.25
CCC1CCC(NS(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)(C(=O)[O-])CC1	REAL300007651716	0	50	-1.0	-47.20	372.75	8.27	-38.93
CCC1CCC(NS(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)(C(=O)[O-])CC1	REAL300007651717	0	51	-1.0	-55.63	387.64	7.26	-48.37
CCC1CCC(NS(=O)(=O)N2CC3CC2C3)(C(=O)[O-])CC1	REAL300007651718	0	44	-1.0	-48.60	313.58	4.53	-44.07
CCC1CCC(NS(=O)(=O)C=CC2=CC=C(F)C=C2)(C(=O)[O-])CC1	REAL300007651719	0	45	-1.0	-56.36	351.85	7.56	-48.80
CCOCCCS(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651720	0	47	-1.0	-39.33	353.72	4.59	-34.74
CCC1CCC(NS(=O)(=O)CCC2NC(=O)NC2=O)(C(=O)[O-])CC1	REAL300007651721	0	46	-1.0	-37.72	352.70	-0.59	-38.31
CCC1CCC(NS(=O)(=O)C2=CN=C3C=CC=CN23)(C(=O)[O-])CC1	REAL300007651722	0	44	-1.0	-49.92	329.33	5.82	-44.10
CCC1CCC(NS(=O)(=O)C2CCC(F)(F)CC2)(C(=O)[O-])CC1	REAL300007651723	0	47	-1.0	-36.87	347.31	6.36	-30.51
CCC1CCC(NS(=O)(=O)C2=CC=C3SC=NC3=C2)(C(=O)[O-])CC1	REAL300007651724	0	43	-1.0	-46.43	341.10	5.24	-41.19
CCC1CCC(NS(=O)(=O)CCOC2CCOC2)(C(=O)[O-])CC1	REAL300007651725	0	49	-1.0	-45.78	367.69	3.28	-42.50
CCC1CCC(NS(=O)(=O)CC2COCCO2)(C(=O)[O-])CC1	REAL300007651726	0	46	-1.0	-39.80	338.42	2.63	-37.17
CCC1CCC(NS(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)(C(=O)[O-])CC1	REAL300007651727	0	50	-1.0	-49.15	382.79	5.33	-43.82
CCC1CCC([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)(C(=O)[O-])CC1	REAL300007651727	1	49	-2.0	-148.78	394.38	5.69	-143.09
CCC1CCC(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)(C(=O)[O-])CC1	REAL300007651728	0	58	-1.0	-40.72	386.58	8.34	-32.38
CCC1CCC(NS(=O)(=O)CCN2C=NN=N2)(C(=O)[O-])CC1	REAL300007651729	0	42	-1.0	-49.97	327.62	3.96	-46.01
CCC1CCC(NS(=O)(=O)CC2CC(C)(C)CO2)(C(=O)[O-])CC1	REAL300007651730	0	51	-1.0	-42.89	372.39	5.57	-37.32
CCC1CCC(NS(=O)(=O)CC2CS(=O)(=O)C2)(C(=O)[O-])CC1	REAL300007651731	0	44	-1.0	-43.04	343.83	1.76	-41.28
CCC1CCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)(C(=O)[O-])CC1	REAL300007651732	0	49	-1.0	-46.65	351.85	6.54	-40.11
CCC1CCC(NS(=O)(=O)CCCCS(C)(=O)=O)(C(=O)[O-])CC1	REAL300007651733	0	49	-1.0	-53.84	383.36	2.90	-50.94
CCC1CCC(NS(=O)(=O)CC2CCC(C)(C)CO2)(C(=O)[O-])CC1	REAL300007651734	0	54	-1.0	-40.87	384.35	5.57	-35.30
CCC1CCC(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)(C(=O)[O-])CC1	REAL300007651735	0	51	-1.0	-40.66	382.84	8.35	-32.31
CCC1CCC(NS(=O)(=O)CC2=CC=CC3=NSN=C32)(C(=O)[O-])CC1	REAL300007651736	0	45	-1.0	-48.90	360.81	5.11	-43.79
CCC1CCC(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)(C(=O)[O-])CC1	REAL300007651737	0	50	-1.0	-42.78	367.24	3.44	-39.34
CCC1CCC(NS(=O)(=O)C2(CCOC)CC2)(C(=O)[O-])CC1	REAL300007651738	0	48	-1.0	-59.47	356.38	5.13	-54.34
CCC1CCC(NS(=O)(=O)C2=NN(CC)N=C2)(C(=O)[O-])CC1	REAL300007651739	0	43	-1.0	-44.66	331.09	2.39	-42.27
CCC1CCC([N-]S(=O)(=O)C2=NN(CC)N=C2)(C(=O)[O-])CC1	REAL300007651739	1	42	-2.0	-131.79	338.37	3.54	-128.25
CCC1CCC(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)(C(=O)[O-])CC1	REAL300007651740	0	54	-1.0	-39.20	377.07	7.46	-31.74
CCC1CCC(NS(=O)(=O)C2=CC=C(C3CC3)S2)(C(=O)[O-])CC1	REAL300007651741	0	45	-1.0	-46.45	352.20	6.73	-39.72
CCC1CCC(NS(=O)(=O)C(C)=CC2=CC=C(OC)C=C2)(C(=O)[O-])CC1	REAL300007651742	0	52	-1.0	-41.79	386.16	6.89	-34.90
CCC1CCC(NS(=O)(=O)[C@H]2COC[C@H]2OC)(C(=O)[O-])CC1	REAL300007651743	0	46	-1.0	-42.46	338.91	2.83	-39.63
CCC1CCC(NS(=O)(=O)C2=CC(C)=CO2)(C(=O)[O-])CC1	REAL300007651744	0	41	-1.0	-43.95	315.25	4.28	-39.67
CCC1CCC(NS(=O)(=O)C2=CC=C(C)O2)(C(=O)[O-])CC1	REAL300007651745	0	41	-1.0	-44.24	315.26	4.42	-39.82
CCC1=NNC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651746	0	44	-1.0	-51.66	334.23	3.55	-48.11
CCC1CCC(NS(=O)(=O)C2=C(OC)C(OC)=CS2)(C(=O)[O-])CC1	REAL300007651747	0	46	-1.0	-48.13	358.13	4.10	-44.03
CCC1CCC(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)(C(=O)[O-])CC1	REAL300007651748	0	53	-1.0	-40.30	363.93	6.89	-33.41
CCC1CCC(NS(=O)(=O)N(C)CCC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300007651749	0	52	-1.0	-40.05	387.45	8.37	-31.68
CCC1CCC(NS(=O)(=O)C2=C(F)C=C(OC)C=C2F)(C(=O)[O-])CC1	REAL300007651750	0	45	-1.0	-59.19	346.40	5.60	-53.59
CCC1CCC([N-]S(=O)(=O)C2=C(F)C=C(OC)C=C2F)(C(=O)[O-])CC1	REAL300007651750	1	44	-2.0	-128.47	354.04	5.04	-123.43
CCC1CCC(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)(C(=O)[O-])CC1	REAL300007651751	0	45	-1.0	-53.72	354.70	5.37	-48.35
CCC1CCC(NS(=O)(=O)C2=C3C=CC=CC3=NN2C)(C(=O)[O-])CC1	REAL300007651752	0	47	-1.0	-44.25	353.50	5.22	-39.03
CCC1CCC(NS(=O)(=O)C2=CC=C3C(=C2)C=CN3C)(C(=O)[O-])CC1	REAL300007651753	0	48	-1.0	-49.00	363.89	7.61	-41.39
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2C(C)(F)F)(C(=O)[O-])CC1	REAL300007651754	0	47	-1.0	-42.61	349.30	7.30	-35.31
C=C(C)COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(CC)CC2)=C1	REAL300007651755	0	52	-1.0	-59.16	392.90	7.35	-51.81
CCC1CCC(NS(=O)(=O)C2=CN(CC)N=C2C2CC2)(C(=O)[O-])CC1	REAL300007651756	0	51	-1.0	-53.81	390.43	6.57	-47.24
CCC1CCC(NS(=O)(=O)C2=C(C)C=CC3=NSN=C32)(C(=O)[O-])CC1	REAL300007651757	0	45	-1.0	-64.35	346.62	5.16	-59.19
CCC1CCC(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)(C(=O)[O-])CC1	REAL300007651758	0	47	-1.0	-53.16	371.97	8.51	-44.65
CCC1CCC(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)(C(=O)[O-])CC1	REAL300007651759	0	40	-1.0	-53.53	335.00	4.84	-48.69
CCC1CCC(NS(=O)(=O)C2=CC(C)=NN2C2CCCC2)(C(=O)[O-])CC1	REAL300007651760	0	54	-1.0	-43.89	396.02	6.43	-37.46
CCC1CCC(NS(=O)(=O)C2=C(Cl)OC=C2)(C(=O)[O-])CC1	REAL300007651761	0	38	-1.0	-38.24	307.62	3.90	-34.34
CCC1CCC(NS(=O)(=O)C2=CC(Cl)=CS2)(C(=O)[O-])CC1	REAL300007651762	0	38	-1.0	-43.81	317.08	4.93	-38.88
CCC1CCC(NS(=O)(=O)C2=CC(CCOC)=CC=C2OC)(C(=O)[O-])CC1	REAL300007651763	0	55	-1.0	-43.33	416.16	6.07	-37.26
CCC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)(C(=O)[O-])CC1	REAL300007651764	0	47	-1.0	-43.93	373.21	8.30	-35.63
CCC1CCC(NS(=O)(=O)C2=C3COCCC3=NN2C)(C(=O)[O-])CC1	REAL300007651765	0	49	-1.0	-50.96	358.89	3.39	-47.57
CCC1CCC(NS(=O)(=O)C2=CC=CC=C2C2CC2)(C(=O)[O-])CC1	REAL300007651766	0	48	-1.0	-61.81	352.12	8.18	-53.63
CCC1CCC(NS(=O)(=O)N2CCC(C)(C)CC2)(C(=O)[O-])CC1	REAL300007651767	0	52	-1.0	-54.89	356.50	5.87	-49.02
CCC1CCC(NS(=O)(=O)C2=CC(Cl)=CN=C2OC)(C(=O)[O-])CC1	REAL300007651768	0	44	-1.0	-43.09	358.18	3.20	-39.89
CCC1CCC(NS(=O)(=O)C2=CN=C(OC)C(C)=C2)(C(=O)[O-])CC1	REAL300007651769	0	47	-1.0	-51.21	356.50	3.15	-48.06
CCC1CCC(NS(=O)(=O)C2=CN(CC(C)C)N=C2)(C(=O)[O-])CC1	REAL300007651770	0	50	-1.0	-46.68	375.72	5.35	-41.33
CCC1CCC(NS(=O)(=O)C2=CN(C(C)C)N=C2C)(C(=O)[O-])CC1	REAL300007651771	0	50	-1.0	-42.60	371.28	4.93	-37.67
CCC1CCC(NS(=O)(=O)N2CCN(CC(F)F)CC2)(C(=O)[O-])CC1	REAL300007651772	0	51	-1.0	-61.97	362.06	3.97	-58.00
CCC1CCC(NS(=O)(=O)CC2=NOC(COC)=C2)(C(=O)[O-])CC1	REAL300007651773	0	47	-1.0	-46.75	367.18	3.96	-42.79
CCC1CCC(NS(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)(C(=O)[O-])CC1	REAL300007651774	0	52	-1.0	-43.63	380.39	5.73	-37.90
CCC1CCC(NS(=O)(=O)C2=CC=NN2C(C)C)(C(=O)[O-])CC1	REAL300007651775	0	47	-1.0	-43.45	351.80	4.59	-38.86
CCC1CCC(NS(=O)(=O)C2=CC=NN2CC2CC2)(C(=O)[O-])CC1	REAL300007651776	0	48	-1.0	-43.81	359.82	5.32	-38.49
CCC1CCC(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)(C(=O)[O-])CC1	REAL300007651777	0	48	-1.0	-47.83	359.32	6.58	-41.25
CCC1CCC(NS(=O)(=O)C2=CC=C(C(F)F)C=N2)(C(=O)[O-])CC1	REAL300007651778	0	43	-1.0	-57.59	337.13	5.86	-51.73
CCC1CCC(NS(=O)(=O)N2CCC3=CC=CN=C32)(C(=O)[O-])CC1	REAL300007651779	0	46	-1.0	-62.58	344.88	6.64	-55.94
CCC1CCC(NS(=O)(=O)C2=C(C)N(C(C)C)N=C2)(C(=O)[O-])CC1	REAL300007651780	0	50	-1.0	-44.77	378.04	5.26	-39.51
CCC1CCC(NS(=O)(=O)C2=NC=CC3=CC=CC=C32)(C(=O)[O-])CC1	REAL300007651781	0	46	-1.0	-65.32	347.38	7.07	-58.25
CCC1CCC(NS(=O)(=O)C2=NC=C(C)C=C2C)(C(=O)[O-])CC1	REAL300007651782	0	46	-1.0	-61.67	342.86	6.36	-55.31
CCC1CCC(NS(=O)(=O)C2=CC=NC=C2C)(C(=O)[O-])CC1	REAL300007651783	0	43	-1.0	-38.78	321.43	4.23	-34.55
CCC1CCC(NS(=O)(=O)N2CC=C(Br)CC2)(C(=O)[O-])CC1	REAL300007651784	0	44	-1.0	-35.40	336.69	5.63	-29.77
CCC1CCC(NS(=O)(=O)N(C)C2CCS(=O)(=O)C2)(C(=O)[O-])CC1	REAL300007651785	0	49	-1.0	-63.40	359.25	2.36	-61.04
CCC1CCC(NS(=O)(=O)N2CC3CCC(C2)O3)(C(=O)[O-])CC1	REAL300007651786	0	48	-1.0	-52.75	346.81	4.83	-47.92
CCC1CCC(NS(=O)(=O)N2CCC(C#N)CC2)(C(=O)[O-])CC1	REAL300007651787	0	47	-1.0	-61.98	344.53	6.18	-55.80
CCC1CCC(NS(=O)(=O)C2=CC(OC)=CC=N2)(C(=O)[O-])CC1	REAL300007651788	0	44	-1.0	-61.13	336.55	4.10	-57.03
C=CCN(CC=C)S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651789	0	47	-1.0	-37.97	347.12	6.21	-31.76
CCC1CCC(NS(=O)(=O)C2=CC=C(OC)C=C2C(F)F)(C(=O)[O-])CC1	REAL300007651790	0	48	-1.0	-40.88	356.87	6.05	-34.83
CCC1CCC(NS(=O)(=O)C2=CC=C(OC)C=N2)(C(=O)[O-])CC1	REAL300007651791	0	44	-1.0	-47.08	335.86	3.27	-43.81
CCC1CCC(NS(=O)(=O)C2=NC=CC=C2C)(C(=O)[O-])CC1	REAL300007651792	0	43	-1.0	-49.98	321.57	4.75	-45.23
CCC1CCC(NS(=O)(=O)C2=CC=NC3=CC=CC=C32)(C(=O)[O-])CC1	REAL300007651793	0	46	-1.0	-45.78	351.05	5.85	-39.93
CCOC1=CC=CN=C1S(=O)(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300007651794	0	47	-1.0	-68.06	355.97	5.90	-62.16
CCC1CCC(NS(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)(C(=O)[O-])CC1	REAL300007651795	0	49	-1.0	-50.75	372.26	6.52	-44.23
CCC1CCC(NS(=O)(=O)C2=CC=NC(C)=C2)(C(=O)[O-])CC1	REAL300007651796	0	43	-1.0	-44.62	323.76	4.11	-40.51
CCC1CCC(NS(=O)(=O)C2=CNC3=CC=CC=C23)(C(=O)[O-])CC1	REAL300007651797	0	45	-1.0	-44.55	346.84	5.70	-38.85
CCC1CCC(NS(=O)(=O)N2CCC(F)(F)C2)(C(=O)[O-])CC1	REAL300007651798	0	43	-1.0	-54.92	317.62	4.98	-49.94
CCC1CCC(NS(=O)(=O)C2=CN=CS2)(C(=O)[O-])CC1	REAL300007651799	0	37	-1.0	-44.94	295.72	2.51	-42.43
CCC1CCC(NS(=O)(=O)C2=CC(C(F)F)=CC=N2)(C(=O)[O-])CC1	REAL300007651800	0	43	-1.0	-60.47	339.32	5.65	-54.82
CCC1CCC(NS(=O)(=O)C2=CC(C)=CC=C2OC(C)C)(C(=O)[O-])CC1	REAL300007651801	0	54	-1.0	-59.99	400.55	7.85	-52.14
CC1=NN(C2=CC=CC(C(F)(F)F)=C2)C(C)=C1C(NS(C)(=O)=O)C(=O)[O-]	REAL300007651802	0	41	-1.0	-46.33	363.02	5.22	-41.11
CC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651803	0	37	-1.0	-60.95	303.82	4.71	-56.24
CCC(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651804	0	44	-1.0	-41.60	338.08	6.34	-35.26
CC(NS(=O)(=O)C1=CC=C(Cl)S1)(C(=O)[O-])C1CC1	REAL300007651805	0	29	-1.0	-43.27	270.73	3.51	-39.76
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651806	0	39	-1.0	-45.47	313.60	4.54	-40.93
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651807	0	35	-1.0	-40.82	302.75	5.30	-35.52
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)(C(=O)[O-])C1CC1	REAL300007651808	0	36	-1.0	-40.03	308.83	4.21	-35.82
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)(C(=O)[O-])C1CC1	REAL300007651809	0	38	-1.0	-51.56	320.07	1.28	-50.28
CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300007651810	0	36	-1.0	-44.98	306.73	3.59	-41.39
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1OC	REAL300007651811	0	43	-1.0	-45.65	335.54	3.76	-41.89
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651812	0	35	-1.0	-39.09	293.78	5.09	-34.00
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651813	0	38	-1.0	-52.85	298.51	3.03	-49.82
CC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)(C(=O)[O-])C1CC1	REAL300007651814	0	48	-1.0	-41.97	361.96	7.60	-34.37
CC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)(C(=O)[O-])C1CC1	REAL300007651815	0	38	-1.0	-47.97	303.43	2.87	-45.10
CC(NS(=O)(=O)C1=CC=CC=C1Br)(C(=O)[O-])C1CC1	REAL300007651816	0	32	-1.0	-40.43	282.98	4.65	-35.78
CC(NS(=O)(=O)C1=CC=CC(Br)=C1)(C(=O)[O-])C1CC1	REAL300007651817	0	32	-1.0	-52.96	282.56	4.87	-48.09
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651818	0	37	-1.0	-42.84	292.11	5.95	-36.89
CC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)(C(=O)[O-])C1CC1	REAL300007651819	0	38	-1.0	-49.19	323.96	5.91	-43.28
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651820	0	42	-1.0	-58.56	345.02	0.45	-58.11
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651821	0	43	-1.0	-41.80	342.01	5.58	-36.22
CC1=CC(F)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651822	0	35	-1.0	-52.69	288.93	4.97	-47.72
CC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)(C(=O)[O-])C1CC1	REAL300007651823	0	38	-1.0	-46.23	308.47	4.24	-41.99
COCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651824	0	39	-1.0	-44.48	314.47	3.48	-41.00
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300007651825	0	38	-1.0	-54.08	311.50	1.82	-52.26
CC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)(C(=O)[O-])C1CC1	REAL300007651826	0	41	-1.0	-52.38	344.43	1.95	-50.43
CC(NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C1CC1	REAL300007651827	0	37	-1.0	-62.57	310.96	-0.07	-62.64
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1C	REAL300007651828	0	42	-1.0	-44.18	326.93	4.58	-39.60
CC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)(C(=O)[O-])C1CC1	REAL300007651829	0	37	-1.0	-45.14	324.15	4.37	-40.77
CC(NS(=O)(=O)CC1=CC=C(Br)C=C1)(C(=O)[O-])C1CC1	REAL300007651830	0	35	-1.0	-48.94	307.03	5.25	-43.69
CC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)(C(=O)[O-])C1CC1	REAL300007651831	0	37	-1.0	-47.93	301.62	4.18	-43.75
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=NN1C1=CC=CC=N1	REAL300007651832	0	41	-1.0	-51.16	337.60	5.19	-45.97
CCN1N=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1C	REAL300007651833	0	41	-1.0	-58.18	322.21	3.94	-54.24
CC(C)N1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300007651834	0	38	-1.0	-46.46	306.86	2.89	-43.57
CC(C)CN1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651835	0	41	-1.0	-63.30	325.40	6.55	-56.75
CC(C)N1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651836	0	38	-1.0	-62.36	306.29	5.67	-56.69
CC(C)C1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CN1	REAL300007651837	0	38	-1.0	-51.94	306.08	2.65	-49.29
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651838	0	44	-1.0	-59.10	316.18	6.87	-52.23
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)(C(=O)[O-])C1CC1	REAL300007651839	0	45	-1.0	-61.39	368.17	7.18	-54.21
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651840	0	40	-1.0	-60.65	329.22	3.63	-57.02
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1OC	REAL300007651841	0	40	-1.0	-42.89	336.76	3.64	-39.25
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Br	REAL300007651842	0	35	-1.0	-46.01	300.23	4.99	-41.02
CC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651843	0	35	-1.0	-53.78	283.80	5.08	-48.70
CC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)(C(=O)[O-])C1CC1	REAL300007651844	0	38	-1.0	-55.84	319.34	7.01	-48.83
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)(C(=O)[O-])C1CC1	REAL300007651845	0	37	-1.0	-35.64	314.78	6.02	-29.62
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)(C(=O)[O-])C1CC1	REAL300007651846	0	36	-1.0	-45.47	306.20	3.45	-42.02
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)(C(=O)[O-])C1CC1	REAL300007651847	0	39	-1.0	-43.93	329.95	4.93	-39.00
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651848	0	47	-1.0	-58.05	356.48	5.05	-53.00
CC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300007651849	0	35	-1.0	-41.05	293.56	4.68	-36.37
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651850	0	43	-1.0	-47.07	347.04	3.35	-43.72
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C([N+](=O)[O-])=C1	REAL300007652001	0	38	-1.0	-56.88	309.62	5.01	-51.87
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652002	0	36	-1.0	-42.23	308.92	4.11	-38.12
CC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)(C(=O)[O-])C1CC1	REAL300007652003	0	37	-1.0	-64.89	315.27	-0.81	-65.70
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)(C(=O)[O-])C1CC1	REAL300007652004	0	44	-1.0	-57.94	370.11	2.07	-55.87
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CN=C12	REAL300007652005	0	40	-1.0	-46.48	322.08	5.14	-41.34
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300007652006	0	40	-1.0	-59.65	319.23	6.95	-52.70
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652007	0	43	-1.0	-63.17	355.84	2.27	-60.90
CC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)(C(=O)[O-])C1CC1	REAL300007652008	0	44	-1.0	-54.51	347.39	3.16	-51.35
CC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)(C(=O)[O-])C1CC1	REAL300007652009	0	38	-1.0	-54.30	318.71	1.22	-53.08
CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300007652010	0	42	-1.0	-63.62	334.11	7.96	-55.66
CC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)(C(=O)[O-])C1CC1	REAL300007652011	0	38	-1.0	-45.94	306.89	6.21	-39.73
CC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)(C(=O)[O-])C1CC1	REAL300007652012	0	42	-1.0	-43.79	333.59	7.16	-36.63
CC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652013	0	35	-1.0	-41.95	287.80	4.74	-37.21
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=CC=C12	REAL300007652014	0	46	-1.0	-45.62	360.33	6.06	-39.56
CC(NS(=O)(=O)C1=CC=CC2=NSN=C21)(C(=O)[O-])C1CC1	REAL300007652015	0	33	-1.0	-45.19	291.32	2.15	-43.04
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652016	0	36	-1.0	-44.43	308.93	4.11	-40.32
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652017	0	47	-1.0	-42.21	349.80	6.54	-35.67
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300007652018	0	35	-1.0	-46.05	296.20	4.90	-41.15
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652019	0	42	-1.0	-42.13	328.25	4.58	-37.55
CC(NS(=O)(=O)C1=CC=CC2=NON=C21)(C(=O)[O-])C1CC1	REAL300007652020	0	33	-1.0	-44.67	282.47	2.57	-42.10
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300007652021	0	37	-1.0	-51.83	318.55	6.68	-45.15
CC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)(C(=O)[O-])C1CC1	REAL300007652022	0	37	-1.0	-64.32	303.40	4.89	-59.43
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)(C(=O)[O-])C1CC1	REAL300007652023	0	43	-1.0	-45.48	364.08	7.10	-38.38
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652024	0	38	-1.0	-40.11	320.41	4.25	-35.86
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1F	REAL300007652025	0	36	-1.0	-47.15	296.44	3.18	-43.97
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1F	REAL300007652026	0	35	-1.0	-46.35	287.46	4.50	-41.85
CC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)(C(=O)[O-])C1CC1	REAL300007652027	0	43	-1.0	-40.75	364.90	7.11	-33.64
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)C=C1	REAL300007652028	0	47	-1.0	-42.46	377.71	5.88	-36.58
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C(C)C)=C1	REAL300007652029	0	59	-1.0	-59.08	415.76	9.52	-49.56
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007652030	0	48	-1.0	-59.07	373.18	7.50	-51.57
CC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)(C(=O)[O-])C1CC1	REAL300007652031	0	35	-1.0	-49.07	317.56	5.60	-43.47
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007652032	0	42	-1.0	-59.39	333.30	5.94	-53.45
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652033	0	37	-1.0	-38.22	305.27	5.23	-32.99
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652034	0	37	-1.0	-40.20	301.69	5.10	-35.10
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652035	0	40	-1.0	-63.64	322.74	6.71	-56.93
CC(C)CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652036	0	44	-1.0	-41.18	340.60	6.44	-34.74
COCCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652037	0	42	-1.0	-41.48	335.96	4.27	-37.21
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652038	0	35	-1.0	-40.97	298.15	5.19	-35.78
COC1=C(C)C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300007652039	0	42	-1.0	-43.92	333.13	4.66	-39.26
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652040	0	48	-1.0	-41.56	371.31	6.08	-35.48
CC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)(C(=O)[O-])C1CC1	REAL300007652041	0	46	-1.0	-41.79	353.54	5.96	-35.83
CC(C)COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652042	0	45	-1.0	-41.76	352.34	5.47	-36.29
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652043	0	42	-1.0	-41.70	332.24	4.78	-36.92
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300007652044	0	36	-1.0	-46.54	306.25	3.66	-42.88
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)(C(=O)[O-])C1CC1	REAL300007652045	0	36	-1.0	-45.45	316.01	3.93	-41.52
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300007652046	0	39	-1.0	-46.46	308.51	3.76	-42.70
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300007652047	0	45	-1.0	-46.07	348.82	5.33	-40.74
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1	REAL300007652048	0	39	-1.0	-42.80	306.53	3.87	-38.93
COCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652049	0	43	-1.0	-45.37	344.37	3.25	-42.12
CC(NS(=O)(=O)CC1=CC=CC=C1F)(C(=O)[O-])C1CC1	REAL300007652050	0	35	-1.0	-45.77	290.17	4.65	-41.12
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652051	0	35	-1.0	-39.11	298.34	5.18	-33.93
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1C	REAL300007652052	0	40	-1.0	-47.71	309.95	6.62	-41.09
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652053	0	41	-1.0	-44.00	337.73	2.08	-41.92
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)(C(=O)[O-])C1CC1	REAL300007652054	0	44	-1.0	-46.46	368.39	1.60	-44.86
CC1=NC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300007652055	0	34	-1.0	-44.85	286.34	2.49	-42.36
CC(NS(=O)(=O)C1=CSC2=CC=CC=C12)(C(=O)[O-])C1CC1	REAL300007652056	0	35	-1.0	-43.42	302.46	5.25	-38.17
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1F	REAL300007652057	0	36	-1.0	-43.94	295.85	3.15	-40.79
CC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)(C(=O)[O-])C1CC1	REAL300007652058	0	42	-1.0	-47.67	334.93	7.23	-40.44
CC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)(C(=O)[O-])C1CC1	REAL300007652059	0	35	-1.0	-37.56	318.34	5.63	-31.93
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)S2)=CS1	REAL300007652060	0	38	-1.0	-44.88	339.93	4.42	-40.46
CC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)(C(=O)[O-])C1CC1	REAL300007652061	0	52	-1.0	-41.64	393.97	7.37	-34.27
CNC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CN1C	REAL300007652062	0	40	-1.0	-49.27	326.68	1.41	-47.86
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1	REAL300007652063	0	42	-1.0	-54.80	319.45	5.14	-49.66
CC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)(C(=O)[O-])C1CC1	REAL300007652064	0	43	-1.0	-57.26	345.47	8.36	-48.90
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300007652065	0	42	-1.0	-58.48	327.88	5.09	-53.39
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300007652066	0	40	-1.0	-54.97	312.03	5.42	-49.55
CC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)(C(=O)[O-])C1CC1	REAL300007652067	0	37	-1.0	-44.96	302.09	4.41	-40.55
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007652068	0	37	-1.0	-53.99	313.14	5.04	-48.95
CCN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007652068	1	36	-2.0	-126.08	323.94	5.58	-120.50
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300007652069	0	39	-1.0	-40.19	330.31	4.44	-35.75
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)(C(=O)[O-])C1CC1	REAL300007652070	0	46	-1.0	-43.02	370.64	7.03	-35.99
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652071	0	40	-1.0	-55.56	323.81	5.07	-50.49
CC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)(C(=O)[O-])C1CC1	REAL300007652072	0	42	-1.0	-48.18	347.09	5.33	-42.85
CC(NS(=O)(=O)C1=CN=C2NC=CC=C12)(C(=O)[O-])C1CC1	REAL300007652073	0	35	-1.0	-58.85	290.20	2.91	-55.94
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)(C(=O)[O-])C1CC1	REAL300007652074	0	40	-1.0	-45.29	336.51	0.39	-44.90
CC(NS(=O)(=O)CC1=CC=CC(F)=C1)(C(=O)[O-])C1CC1	REAL300007652075	0	35	-1.0	-50.23	292.05	4.70	-45.53
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007652076	0	45	-1.0	-47.01	357.11	6.48	-40.53
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652077	0	42	-1.0	-45.78	337.93	5.55	-40.23
CC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)(C(=O)[O-])C1CC1	REAL300007652078	0	37	-1.0	-72.95	309.60	4.41	-68.54
CC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1CC1	REAL300007652079	0	39	-1.0	-47.06	321.55	4.88	-42.18
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652080	0	46	-1.0	-45.58	366.22	4.21	-41.37
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652081	0	48	-1.0	-41.48	375.24	6.34	-35.14
CC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)(C(=O)[O-])C1CC1	REAL300007652082	0	42	-1.0	-58.47	318.80	6.94	-51.53
CC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300007652083	0	36	-1.0	-37.95	315.78	5.21	-32.74
CC(NS(=O)(=O)C1=CC=C2COCC2=C1)(C(=O)[O-])C1CC1	REAL300007652084	0	37	-1.0	-46.63	296.74	3.09	-43.54
CC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)(C(=O)[O-])C1CC1	REAL300007652085	0	40	-1.0	-55.75	325.53	5.17	-50.58
CC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)(C(=O)[O-])C1CC1	REAL300007652086	0	37	-1.0	-41.78	307.85	3.96	-37.82
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1	REAL300007652087	0	42	-1.0	-42.87	328.37	4.79	-38.08
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)(C(=O)[O-])C1CC1	REAL300007652088	0	36	-1.0	-44.91	304.33	4.10	-40.81
CSC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652089	0	36	-1.0	-41.72	299.59	4.77	-36.95
CC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300007652090	0	38	-1.0	-50.50	324.37	5.63	-44.87
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)N=C1C	REAL300007652091	0	38	-1.0	-51.61	308.69	3.76	-47.85
CC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)(C(=O)[O-])C1CC1	REAL300007652092	0	38	-1.0	-46.31	309.02	3.64	-42.67
CC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)(C(=O)[O-])C1CC1	REAL300007652093	0	37	-1.0	-57.59	300.04	4.69	-52.90
CC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)(C(=O)[O-])C1CC1	REAL300007652094	0	44	-1.0	-47.90	357.11	5.82	-42.08
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300007652095	0	38	-1.0	-46.32	313.37	5.22	-41.10
CC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)(C(=O)[O-])C1CC1	REAL300007652096	0	38	-1.0	-48.00	332.74	4.48	-43.52
CC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)(C(=O)[O-])C1CC1	REAL300007652097	0	41	-1.0	-59.49	325.82	5.84	-53.65
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C12	REAL300007652098	0	40	-1.0	-45.09	326.76	3.44	-41.65
COCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652099	0	39	-1.0	-59.12	316.17	3.96	-55.16
CC(NS(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1)(C(=O)[O-])C1CC1	REAL300007652100	0	43	-1.0	-62.07	342.05	5.56	-56.51
CC(NS(=O)(=O)CC1=CC=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300007652101	0	35	-1.0	-44.02	298.33	5.06	-38.96
CC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)(C(=O)[O-])C1CC1	REAL300007652102	0	40	-1.0	-57.85	323.83	4.83	-53.02
CC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300007652103	0	35	-1.0	-49.74	312.68	5.51	-44.23
CC1CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C2O1	REAL300007652104	0	40	-1.0	-46.37	317.65	4.41	-41.96
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652105	0	44	-1.0	-52.83	313.92	7.25	-45.58
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652106	0	44	-1.0	-52.23	353.94	2.78	-49.45
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)(C(=O)[O-])C1CC1	REAL300007652107	0	43	-1.0	-42.42	364.94	7.11	-35.31
CC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)(C(=O)[O-])C1CC1	REAL300007652108	0	38	-1.0	-49.49	327.12	4.42	-45.07
CC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)(C(=O)[O-])C1CC1	REAL300007652109	0	38	-1.0	-47.66	343.06	4.93	-42.73
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)=CO1	REAL300007652110	0	41	-1.0	-46.56	335.84	2.82	-43.74
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007652111	0	35	-1.0	-53.08	303.89	3.02	-50.06
CN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007652111	1	34	-2.0	-122.58	310.09	3.48	-119.10
CC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)(C(=O)[O-])C1CC1	REAL300007652112	0	35	-1.0	-46.64	294.35	4.45	-42.19
CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)(C(=O)[O-])C1CC1	REAL300007652112	1	34	-2.0	-130.39	303.52	5.10	-125.29
CC(NS(=O)(=O)C1=CC=C2OCOC2=C1)(C(=O)[O-])C1CC1	REAL300007652113	0	35	-1.0	-46.59	286.77	2.46	-44.13
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300007652114	0	35	-1.0	-54.20	289.64	0.87	-53.33
CC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)(C(=O)[O-])C1CC1	REAL300007652115	0	40	-1.0	-46.76	312.64	4.33	-42.43
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=N2)C=C1	REAL300007652116	0	42	-1.0	-46.87	343.62	5.58	-41.29
CC1CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC(Cl)=C2O1	REAL300007652117	0	40	-1.0	-45.56	332.72	4.80	-40.76
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300007652118	0	37	-1.0	-42.99	304.69	4.97	-38.02
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300007652119	0	43	-1.0	-50.01	349.10	4.53	-45.48
CC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)(C(=O)[O-])C1CC1	REAL300007652120	0	34	-1.0	-54.58	294.54	3.76	-50.82
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652121	0	40	-1.0	-43.61	309.73	4.11	-39.50
CC1=CC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2C=C1	REAL300007652122	0	41	-1.0	-47.36	327.81	6.73	-40.63
COC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)SC=C1	REAL300007652123	0	33	-1.0	-51.97	282.28	2.84	-49.13
CN(C)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652124	0	40	-1.0	-57.39	312.62	4.62	-52.77
CC(NS(=O)(=O)C1=CC=CC2=C1OCC2)(C(=O)[O-])C1CC1	REAL300007652125	0	37	-1.0	-45.79	302.83	3.78	-42.01
CC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)(C(=O)[O-])C1CC1	REAL300007652126	0	37	-1.0	-45.82	308.21	3.94	-41.88
CC(NS(=O)(=O)C1=CC=C2CCOC2=C1)(C(=O)[O-])C1CC1	REAL300007652127	0	37	-1.0	-49.07	296.63	3.64	-45.43
CC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)(C(=O)[O-])C1CC1	REAL300007652128	0	38	-1.0	-48.87	323.86	5.94	-42.93
CN1CCCC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C21	REAL300007652129	0	44	-1.0	-48.44	336.12	4.38	-44.06
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)(C(=O)[O-])C1CC1	REAL300007652130	0	34	-1.0	-53.18	297.19	3.43	-49.75
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652131	0	40	-1.0	-54.95	313.34	4.29	-50.66
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652132	0	40	-1.0	-40.56	322.61	5.72	-34.84
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300007652133	0	40	-1.0	-72.32	320.29	7.24	-65.08
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007652134	0	40	-1.0	-45.64	328.52	6.05	-39.59
COC1=CC=C(CCS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652135	0	42	-1.0	-50.13	336.64	4.72	-45.41
COC1=CN=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652136	0	35	-1.0	-45.34	285.00	1.27	-44.07
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300007652137	0	41	-1.0	-45.79	331.84	5.46	-40.33
CC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)(C(=O)[O-])C1CC1	REAL300007652138	0	39	-1.0	-42.17	308.81	5.88	-36.29
COC1=CC(OC)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652139	0	40	-1.0	-47.94	319.72	2.41	-45.53
CC(NS(=O)(=O)CCC1CCCCC1)(C(=O)[O-])C1CC1	REAL300007652140	0	44	-1.0	-48.66	327.91	5.59	-43.07
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1)OCO2	REAL300007652141	0	38	-1.0	-45.38	306.00	3.29	-42.09
CC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)(C(=O)[O-])C1CC1	REAL300007652142	0	35	-1.0	-47.74	294.52	4.26	-43.48
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300007652143	0	36	-1.0	-43.63	305.76	3.65	-39.98
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300007652144	0	40	-1.0	-53.54	316.78	5.69	-47.85
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1CC	REAL300007652145	0	44	-1.0	-46.68	337.29	6.35	-40.33
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652146	0	40	-1.0	-37.98	314.70	5.98	-32.00
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652147	0	42	-1.0	-57.96	320.39	5.73	-52.23
CC1=C(C)SC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652148	0	35	-1.0	-46.63	293.94	4.27	-42.36
CC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)(C(=O)[O-])C1CC1	REAL300007652149	0	33	-1.0	-39.94	286.97	1.32	-38.62
CCC1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300007652150	0	34	-1.0	-41.11	290.75	2.43	-38.68
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300007652151	0	39	-1.0	-58.14	312.37	4.03	-54.11
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300007652152	0	35	-1.0	-46.39	292.60	4.46	-41.93
CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)(C(=O)[O-])C1CC1	REAL300007652153	0	38	-1.0	-61.36	310.85	5.72	-55.64
CC(NS(=O)(=O)C1=CC=CC2=C1OCO2)(C(=O)[O-])C1CC1	REAL300007652154	0	35	-1.0	-58.22	290.81	2.96	-55.26
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC(C)=C1F	REAL300007652155	0	38	-1.0	-40.09	306.57	5.12	-34.97
CC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)(C(=O)[O-])C1CC1	REAL300007652156	0	39	-1.0	-50.12	316.70	3.56	-46.56
CC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)(C(=O)[O-])C1CC1	REAL300007652157	0	34	-1.0	-47.03	297.67	3.27	-43.76
CC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)(C(=O)[O-])C1CC1	REAL300007652158	0	35	-1.0	-48.96	302.46	5.15	-43.81
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300007652159	0	35	-1.0	-43.84	296.19	4.90	-38.94
CC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)(C(=O)[O-])C1CC1	REAL300007652160	0	38	-1.0	-52.19	308.82	4.79	-47.40
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)=N1	REAL300007652161	0	41	-1.0	-43.99	345.63	5.21	-38.78
CC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)(C(=O)[O-])C1CC1	REAL300007652162	0	40	-1.0	-46.00	318.31	5.22	-40.78
CC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)(C(=O)[O-])C1CC1	REAL300007652163	0	39	-1.0	-63.83	326.34	2.10	-61.73
CC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)(C(=O)[O-])C1CC1	REAL300007652164	0	41	-1.0	-49.00	327.90	4.39	-44.61
CC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300007652165	0	35	-1.0	-48.61	305.76	5.15	-43.46
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652166	0	57	-1.0	-41.64	439.73	8.68	-32.96
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652167	0	45	-1.0	-57.00	353.00	5.99	-51.01
COC(CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1)C1CCCC1	REAL300007652168	0	45	-1.0	-49.08	335.88	4.25	-44.83
COC(CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1)C1CCCCC1	REAL300007652169	0	48	-1.0	-48.79	352.59	4.79	-44.00
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)(C(=O)[O-])C1CC1	REAL300007652170	0	46	-1.0	-48.05	378.20	7.16	-40.89
CCOC(CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1)C1CC1	REAL300007652171	0	42	-1.0	-41.68	326.32	4.14	-37.54
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007652172	0	51	-1.0	-45.49	390.78	6.81	-38.68
CCC1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CN1CC1CC1	REAL300007652173	0	45	-1.0	-52.51	360.98	6.16	-46.35
CC(NS(=O)(=O)C1=CN=C(C2CC2)S1)(C(=O)[O-])C1CC1	REAL300007652174	0	35	-1.0	-44.98	301.63	3.43	-41.55
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300007652175	0	40	-1.0	-52.21	327.15	6.60	-45.61
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652176	0	39	-1.0	-52.87	306.97	3.90	-48.97
CC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300007652177	0	45	-1.0	-52.86	363.94	6.42	-46.44
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652178	0	35	-1.0	-40.35	303.68	2.35	-38.00
CC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)(C(=O)[O-])C1CC1	REAL300007652179	0	43	-1.0	-47.54	360.01	7.82	-39.72
CC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)(C(=O)[O-])C1CC1	REAL300007652180	0	42	-1.0	-61.79	330.36	7.65	-54.14
CCC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C(C)C=C1OC	REAL300007652181	0	45	-1.0	-58.67	349.54	5.82	-52.85
CC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300007652182	0	38	-1.0	-37.51	330.62	5.63	-31.88
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)=N1	REAL300007652183	0	33	-2.0	-140.11	301.75	3.33	-136.78
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300007652183	1	34	-1.0	-70.36	290.56	3.67	-66.69
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CC=C2C=C1	REAL300007652184	0	41	-1.0	-45.24	316.53	6.85	-38.39
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300007652185	0	41	-1.0	-54.18	331.63	2.75	-51.43
COC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652186	0	36	-1.0	-56.86	296.40	4.34	-52.52
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007652187	0	48	-1.0	-45.84	369.28	6.01	-39.83
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1F	REAL300007652188	0	44	-1.0	-44.27	338.96	6.05	-38.22
CC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)(C(=O)[O-])C1CC1	REAL300007652189	0	51	-1.0	-41.91	386.71	8.41	-33.50
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652190	0	42	-1.0	-52.82	320.68	4.07	-48.75
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C(C)(C)C)=N1	REAL300007652191	0	44	-1.0	-61.72	333.63	4.47	-57.25
CC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)(C(=O)[O-])C1CC1	REAL300007652192	0	42	-1.0	-46.05	328.51	4.12	-41.93
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652193	0	35	-1.0	-46.92	294.79	3.26	-43.66
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652194	0	39	-1.0	-51.38	320.22	4.06	-47.32
C=CCCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652195	0	42	-1.0	-41.19	336.60	6.54	-34.65
CCC1=NN(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652196	0	38	-1.0	-54.92	309.01	3.28	-51.64
CCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007652197	0	54	-1.0	-45.74	413.68	7.64	-38.10
CC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)(C(=O)[O-])C1CC1	REAL300007652198	0	36	-1.0	-55.43	312.66	6.00	-49.43
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(C)(C)C	REAL300007652199	0	54	-1.0	-45.41	404.70	7.53	-37.88
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1CC	REAL300007652200	0	48	-1.0	-45.81	375.27	6.32	-39.49
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652201	0	38	-1.0	-52.29	306.77	6.34	-45.95
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652202	0	38	-1.0	-39.30	322.24	5.81	-33.49
CC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300007652203	0	36	-1.0	-56.94	310.18	5.87	-51.07
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652204	0	41	-1.0	-58.82	316.30	6.78	-52.04
COC1=NC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652205	0	35	-1.0	-44.55	290.06	1.16	-43.39
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652206	0	48	-1.0	-58.99	381.74	6.94	-52.05
CC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)(C(=O)[O-])C1CC1	REAL300007652207	0	37	-1.0	-45.62	301.85	4.35	-41.27
CC1=CSC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652208	0	35	-1.0	-43.61	279.64	4.11	-39.50
CC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)(C(=O)[O-])C1CC1	REAL300007652209	0	39	-1.0	-46.44	311.01	3.44	-43.00
CC(NS(=O)(=O)C1=CC=NN1C1CCC1)(C(=O)[O-])C1CC1	REAL300007652210	0	39	-1.0	-52.71	309.85	4.07	-48.64
CC(NS(=O)(=O)C1=CC=NN1CC1CCC1)(C(=O)[O-])C1CC1	REAL300007652211	0	42	-1.0	-43.39	330.75	4.36	-39.03
CC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)(C(=O)[O-])C1CC1	REAL300007652212	0	43	-1.0	-61.38	342.09	2.20	-59.18
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1CC1	REAL300007652213	0	38	-1.0	-45.85	328.77	4.82	-41.03
CC(NS(=O)(=O)C1=CN=C2CCCCN12)(C(=O)[O-])C1CC1	REAL300007652214	0	39	-1.0	-51.21	306.80	3.76	-47.45
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007652215	0	57	-1.0	-45.71	435.18	8.42	-37.29
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300007652216	0	48	-1.0	-59.23	364.24	6.31	-52.92
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652217	0	42	-1.0	-60.59	337.45	5.64	-54.95
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007652218	0	55	-1.0	-47.80	424.75	6.23	-41.57
CC1CC2=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=C2O1	REAL300007652219	0	40	-1.0	-47.67	323.76	4.53	-43.14
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300007652220	0	40	-1.0	-44.84	330.62	3.58	-41.26
CC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)(C(=O)[O-])C1CC1	REAL300007652221	0	38	-1.0	-58.91	315.78	4.62	-54.29
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652222	0	37	-1.0	-64.12	301.77	3.63	-60.49
CC(NS(=O)(=O)C1=CC2=NON=C2C=C1)(C(=O)[O-])C1CC1	REAL300007652223	0	33	-1.0	-41.49	275.24	2.57	-38.92
CC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)(C(=O)[O-])C1CC1	REAL300007652224	0	35	-1.0	-46.87	300.24	5.35	-41.52
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652225	0	39	-1.0	-48.63	308.91	4.21	-44.42
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1F	REAL300007652226	0	41	-1.0	-56.19	316.03	6.40	-49.79
COC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1OC	REAL300007652227	0	40	-1.0	-60.10	319.31	4.12	-55.98
CC(NS(=O)(=O)C1=COC2=CC=CC=C12)(C(=O)[O-])C1CC1	REAL300007652228	0	35	-1.0	-46.45	297.24	4.27	-42.18
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C2CCCC2)=N1	REAL300007652229	0	45	-1.0	-55.32	352.09	5.04	-50.28
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652230	0	44	-1.0	-58.24	342.82	4.64	-53.60
CCCCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=N1	REAL300007652231	0	44	-1.0	-44.23	351.41	4.54	-39.69
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300007652232	0	39	-1.0	-55.63	320.47	4.07	-51.56
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300007652233	0	36	-1.0	-44.11	298.63	3.33	-40.78
CN1N=NC2=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=CC=C21	REAL300007652234	0	37	-1.0	-51.58	311.10	2.25	-49.33
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Br	REAL300007652235	0	38	-1.0	-58.38	318.11	6.25	-52.13
CC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)(C(=O)[O-])C1CC1	REAL300007652236	0	38	-1.0	-43.58	331.06	4.89	-38.69
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C2CCC2)=N1	REAL300007652237	0	42	-1.0	-55.34	335.60	4.58	-50.76
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652238	0	50	-1.0	-60.30	376.79	8.26	-52.04
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300007652239	0	38	-1.0	-57.72	332.21	6.10	-51.62
CC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)(C(=O)[O-])C1CC1	REAL300007652240	0	42	-1.0	-47.61	334.77	4.40	-43.21
CC(NS(=O)(=O)C1=C(C2CC2)C=CS1)(C(=O)[O-])C1CC1	REAL300007652241	0	36	-1.0	-61.38	298.55	5.25	-56.13
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)(C(=O)[O-])C1CC1	REAL300007652242	0	43	-1.0	-43.30	362.45	6.88	-36.42
COC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300007652243	0	41	-1.0	-74.11	328.22	5.19	-68.92
CCCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652244	0	41	-1.0	-46.79	323.16	5.95	-40.84
CN1N=C2CCCC2=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652245	0	39	-1.0	-44.94	306.63	3.25	-41.69
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652246	0	41	-1.0	-42.80	308.90	3.73	-39.07
CC(C)(C)N1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300007652247	0	41	-1.0	-47.19	326.08	3.49	-43.70
CC(NS(=O)(=O)C1=CNN=C1C1CCC1)(C(=O)[O-])C1CC1	REAL300007652248	0	39	-1.0	-53.84	311.88	3.21	-50.63
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CN=C1C(F)(F)F	REAL300007652249	0	37	-1.0	-48.88	312.22	4.08	-44.80
CC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300007652250	0	35	-1.0	-51.31	306.23	5.30	-46.01
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652251	0	43	-1.0	-55.28	345.31	5.84	-49.44
CC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)(C(=O)[O-])C1CC1	REAL300007652252	0	43	-1.0	-46.60	337.51	7.12	-39.48
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)(C(=O)[O-])C1CC1	REAL300007652253	0	38	-1.0	-43.71	325.22	4.76	-38.95
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652254	0	42	-1.0	-40.10	355.58	4.52	-35.58
CC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)(C(=O)[O-])C1CC1	REAL300007652255	0	32	-1.0	-37.69	280.07	4.16	-33.53
CC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)(C(=O)[O-])C1CC1	REAL300007652256	0	39	-1.0	-58.00	310.32	6.33	-51.67
COC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=CS1	REAL300007652257	0	33	-1.0	-42.92	286.52	2.49	-40.43
CC(NS(=O)(=O)C1=CC=NN1C1CCCC1)(C(=O)[O-])C1CC1	REAL300007652258	0	42	-1.0	-43.47	321.07	4.44	-39.03
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652259	0	41	-1.0	-52.48	321.48	4.01	-48.47
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C2CCOCC2)=N1	REAL300007652260	0	46	-1.0	-55.54	361.07	3.35	-52.19
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652261	0	38	-1.0	-58.74	314.30	5.76	-52.98
CC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)(C(=O)[O-])C1CC1	REAL300007652262	0	36	-1.0	-47.67	299.99	3.38	-44.29
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300007652263	0	33	-1.0	-45.47	285.54	2.34	-43.13
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300007652264	0	43	-1.0	-49.63	329.40	6.45	-43.18
CC(NS(=O)(=O)C1=CN(CCF)N=C1)(C(=O)[O-])C1CC1	REAL300007652265	0	35	-1.0	-46.52	294.76	2.50	-44.02
CCOCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652266	0	42	-1.0	-59.36	338.02	4.92	-54.44
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652267	0	42	-1.0	-47.11	341.84	5.11	-42.00
CC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)(C(=O)[O-])C1CC1	REAL300007652268	0	45	-1.0	-45.77	347.75	4.73	-41.04
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)(C(=O)[O-])C1CC1	REAL300007652269	0	43	-1.0	-43.10	348.21	6.58	-36.52
CC(NS(=O)(=O)C1=CC=CC=C1CF)(C(=O)[O-])C1CC1	REAL300007652270	0	35	-1.0	-56.97	284.91	5.19	-51.78
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC(C)=C1Br	REAL300007652271	0	38	-1.0	-40.33	317.23	5.52	-34.81
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007652272	0	41	-1.0	-61.17	322.65	7.11	-54.06
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C2=CC=CC=C2)=N1	REAL300007652273	0	42	-1.0	-57.37	340.00	5.75	-51.62
CC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)(C(=O)[O-])C1CC1	REAL300007652274	0	36	-1.0	-55.91	302.35	5.51	-50.40
CC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)(C(=O)[O-])C1CC1	REAL300007652275	0	36	-1.0	-55.27	317.23	6.10	-49.17
CC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)(C(=O)[O-])C1CC1	REAL300007652276	0	36	-1.0	-55.28	317.23	6.06	-49.22
CC(NS(=O)(=O)CCC1NC(=O)NC1=O)(C(=O)[O-])C1CC1	REAL300007652277	0	37	-1.0	-39.08	304.30	-2.15	-41.23
CC(NS(=O)(=O)C1=CN=C2C=CC=CN12)(C(=O)[O-])C1CC1	REAL300007652278	0	35	-1.0	-50.61	287.82	4.25	-46.36
CC(NS(=O)(=O)C1CCC(F)(F)CC1)(C(=O)[O-])C1CC1	REAL300007652279	0	38	-1.0	-36.67	297.71	4.27	-32.40
CC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)(C(=O)[O-])C1CC1	REAL300007652280	0	34	-1.0	-48.49	291.61	3.19	-45.30
CC(NS(=O)(=O)CCOC1CCOC1)(C(=O)[O-])C1CC1	REAL300007652281	0	40	-1.0	-49.24	316.71	1.11	-48.13
CC1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007652282	0	41	-1.0	-63.92	338.81	4.72	-59.20
CC1=NC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007652282	1	40	-2.0	-128.60	344.59	3.58	-125.02
CC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)(C(=O)[O-])C1CC1	REAL300007652283	0	49	-1.0	-41.69	338.08	6.77	-34.92
CC(NS(=O)(=O)CC1CC(C)(C)CO1)(C(=O)[O-])C1CC1	REAL300007652284	0	42	-1.0	-52.37	321.97	3.26	-49.11
CC(NS(=O)(=O)CC1CS(=O)(=O)C1)(C(=O)[O-])C1CC1	REAL300007652285	0	35	-1.0	-42.77	292.10	-0.41	-43.18
CC(C)(CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1)C(C)(F)F	REAL300007652286	0	40	-1.0	-47.86	300.84	4.37	-43.49
CC(NS(=O)(=O)CCCCS(C)(=O)=O)(C(=O)[O-])C1CC1	REAL300007652287	0	40	-1.0	-59.60	332.45	0.71	-58.89
CC(NS(=O)(=O)CC1CCC(C)(C)CO1)(C(=O)[O-])C1CC1	REAL300007652288	0	45	-1.0	-51.22	335.76	4.46	-46.76
CC(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)(C(=O)[O-])C1CC1	REAL300007652289	0	42	-1.0	-48.80	332.12	6.19	-42.61
CC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)(C(=O)[O-])C1CC1	REAL300007652290	0	36	-1.0	-47.66	309.08	2.93	-44.73
CC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)(C(=O)[O-])C1CC1	REAL300007652291	0	42	-1.0	-51.36	343.65	6.76	-44.60
CC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)(C(=O)[O-])C1CC1	REAL300007652292	0	41	-1.0	-41.05	313.96	1.25	-39.80
CC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)(C(=O)[O-])C1CC1	REAL300007652293	0	45	-1.0	-40.39	328.68	5.90	-34.49
CC(NS(=O)(=O)C1=CC=C(C2CC2)S1)(C(=O)[O-])C1CC1	REAL300007652294	0	36	-1.0	-46.36	305.49	5.21	-41.15
CC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)(C(=O)[O-])C1CC1	REAL300007652295	0	54	-1.0	-58.24	391.02	8.43	-49.81
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652296	0	43	-1.0	-42.75	341.61	4.93	-37.82
COC1=CSC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1OC	REAL300007652297	0	37	-1.0	-44.61	312.03	1.82	-42.79
CC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)(C(=O)[O-])C1CC1	REAL300007652298	0	36	-1.0	-63.34	311.03	4.91	-58.43
CC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)(C(=O)[O-])C1CC1	REAL300007652299	0	36	-1.0	-46.63	305.86	3.45	-43.18
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652300	0	38	-1.0	-44.23	303.55	3.62	-40.61
CN1C=CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C21	REAL300007652301	0	39	-1.0	-50.34	314.43	5.55	-44.79
CC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)(C(=O)[O-])C1CC1	REAL300007652302	0	41	-1.0	-54.59	339.91	4.74	-49.85
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652303	0	45	-1.0	-53.99	357.41	5.80	-48.19
CC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)(C(=O)[O-])C1CC1	REAL300007652304	0	43	-1.0	-47.76	348.62	6.60	-41.16
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652305	0	38	-1.0	-64.28	299.15	6.06	-58.22
CC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)(C(=O)[O-])C1CC1	REAL300007652306	0	33	-1.0	-43.95	308.98	2.76	-41.19
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652307	0	43	-1.0	-49.11	344.41	5.42	-43.69
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300007652308	0	42	-1.0	-55.52	341.99	4.92	-50.60
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=NSN=C2C=C1	REAL300007652309	0	36	-1.0	-66.67	299.08	3.71	-62.96
CC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)(C(=O)[O-])C1CC1	REAL300007652310	0	38	-1.0	-45.55	323.16	6.57	-38.98
CC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)(C(=O)[O-])C1CC1	REAL300007652311	0	42	-1.0	-55.43	351.97	8.16	-47.27
CC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)(C(=O)[O-])C1CC1	REAL300007652312	0	31	-1.0	-46.93	287.44	1.73	-45.20
CCC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1Br	REAL300007652313	0	38	-1.0	-43.64	317.69	5.61	-38.03
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652314	0	45	-1.0	-43.74	343.00	5.01	-38.73
CC(NS(=O)(=O)C1=CC(Cl)=CS1)(C(=O)[O-])C1CC1	REAL300007652315	0	29	-1.0	-43.79	270.97	3.43	-40.36
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652316	0	46	-1.0	-47.26	368.53	4.13	-43.13
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)(C(=O)[O-])C1CC1	REAL300007652317	0	38	-1.0	-44.12	323.30	6.68	-37.44
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652318	0	40	-1.0	-53.42	313.35	1.74	-51.68
CC(NS(=O)(=O)C1=CC=CC=C1C1CC1)(C(=O)[O-])C1CC1	REAL300007652319	0	39	-1.0	-59.62	305.55	6.48	-53.14
CC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)(C(=O)[O-])C1CC1	REAL300007652320	0	47	-1.0	-42.84	361.30	4.13	-38.71
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652321	0	35	-1.0	-41.73	308.34	1.37	-40.36
COC1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300007652322	0	38	-1.0	-52.40	308.40	1.64	-50.76
CC(C)CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300007652323	0	41	-1.0	-47.16	324.60	3.94	-43.22
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652324	0	41	-1.0	-54.99	327.12	3.93	-51.06
CC(C)N1N=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652325	0	38	-1.0	-43.49	303.70	3.00	-40.49
CC(NS(=O)(=O)C1=CC=NN1CC1CC1)(C(=O)[O-])C1CC1	REAL300007652326	0	39	-1.0	-52.82	311.12	4.25	-48.57
CC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300007652327	0	39	-1.0	-47.07	314.35	4.99	-42.08
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=NN1C(C)C	REAL300007652328	0	41	-1.0	-60.15	326.44	4.00	-56.15
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007652329	0	46	-1.0	-43.39	369.89	7.41	-35.98
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C(F)F)=C1	REAL300007652330	0	39	-1.0	-42.26	313.18	4.45	-37.81
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007652331	0	38	-1.0	-54.37	329.44	2.40	-51.97
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300007652332	0	40	-1.0	-52.06	325.22	5.17	-46.89
CC(NS(=O)(=O)C1=CNC2=CC=CC=C12)(C(=O)[O-])C1CC1	REAL300007652333	0	36	-1.0	-44.65	298.46	3.74	-40.91
CC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)(C(=O)[O-])C1CC1	REAL300007652334	0	39	-1.0	-54.69	339.43	5.19	-49.50
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007652335	0	45	-1.0	-61.37	353.03	6.28	-55.09
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=C1)C1=CC=C(Br)C=C1	REAL300007652336	0	35	-1.0	-47.29	326.54	6.27	-41.02
CN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652337	0	33	-1.0	-45.12	302.36	3.43	-41.69
CCCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652338	0	42	-1.0	-51.13	367.14	6.73	-44.40
CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652339	0	37	-1.0	-46.08	332.95	5.54	-40.54
CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652340	0	31	-1.0	-46.31	289.95	3.96	-42.35
CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652341	0	28	-1.0	-39.98	270.83	3.26	-36.72
CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652342	0	34	-1.0	-46.13	311.45	4.76	-41.37
O=C([O-])CC(NS(=O)(=O)C1=CC=CS1)C1=CC=C(Br)C=C1	REAL300007652343	0	32	-1.0	-40.72	322.36	5.52	-35.20
O=C([O-])CC(NS(=O)(=O)N1CCOCC1)C1=CC=C(Br)C=C1	REAL300007652344	0	38	-1.0	-51.08	331.37	3.76	-47.32
CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300007652345	0	35	-1.0	-45.59	335.32	4.15	-41.44
CCN(CC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652346	0	39	-1.0	-51.86	336.32	5.83	-46.03
CC1=NNC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652347	0	35	-1.0	-51.21	328.65	4.28	-46.93
O=C([O-])CC(NS(=O)(=O)CCC1CC1)C1=CC=C(Br)C=C1	REAL300007652348	0	38	-1.0	-40.14	345.37	6.50	-33.64
O=C([O-])CC(NS(=O)(=O)CC1=NOC=C1)C1=CC=C(Br)C=C1	REAL300007652349	0	34	-1.0	-45.03	327.15	4.45	-40.58
COCCC(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652350	0	41	-1.0	-38.29	358.61	4.72	-33.57
CCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652351	0	40	-1.0	-46.02	345.42	6.16	-39.86
COCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652352	0	41	-1.0	-46.52	360.13	4.60	-41.92
CC(C)(C)CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652353	0	43	-1.0	-45.98	366.68	6.47	-39.51
CC1CCN(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300007652354	0	40	-1.0	-52.26	354.72	6.19	-46.07
CC(C)CN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652355	0	42	-1.0	-51.19	351.63	6.10	-45.09
CCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300007652356	0	36	-1.0	-51.31	324.15	5.19	-46.12
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=C(C)C=C2F)C=C1	REAL300007652474	0	45	-1.0	-46.88	397.79	8.27	-38.61
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC23CCC(CC2)C3)C=C1	REAL300007652477	0	49	-1.0	-56.08	400.01	8.56	-47.52
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300007652485	0	41	-1.0	-51.12	356.58	8.53	-42.59
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C=C2)C=C1	REAL300007652486	0	42	-1.0	-54.00	374.78	7.79	-46.21
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)C=C1	REAL300007652487	0	46	-1.0	-45.00	400.21	7.07	-37.93
CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(SC)C=C1	REAL300007652488	0	35	-1.0	-48.31	308.85	4.36	-43.95
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=C(C)C=C2C)C=C1	REAL300007652489	0	48	-1.0	-44.34	401.28	9.30	-35.04
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)ON=C2C)C=C1	REAL300007652503	0	41	-1.0	-44.87	360.56	5.78	-39.09
CSC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2C)C=C1	REAL300007652503	1	40	-2.0	-111.45	355.87	5.42	-106.03
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C3OCCC3=C2)C=C1	REAL300007652504	0	44	-1.0	-45.21	384.75	6.70	-38.51
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCCCC2)C=C1	REAL300007652505	0	47	-1.0	-53.50	384.79	7.18	-46.32
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCCC2)C=C1	REAL300007652506	0	44	-1.0	-53.04	359.49	6.66	-46.38
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCC2)C=C1	REAL300007652507	0	41	-1.0	-53.68	353.56	5.40	-48.28
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(C)CC2)C=C1	REAL300007652508	0	47	-1.0	-52.71	390.63	6.89	-45.82
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CC(C)CC(C)C2)C=C1	REAL300007652509	0	50	-1.0	-53.33	387.41	7.54	-45.79
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(F)=CC=C2C)C=C1	REAL300007652510	0	42	-1.0	-54.91	369.07	8.41	-46.50
COC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)=C1	REAL300007652511	0	43	-1.0	-47.29	378.99	6.15	-41.14
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C(Cl)=C2)C=C1	REAL300007652512	0	42	-1.0	-42.48	384.97	7.96	-34.52
CCC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(SC)C=C1	REAL300007652513	0	45	-1.0	-44.85	369.16	8.68	-36.17
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2C)C=C1	REAL300007652514	0	42	-1.0	-55.55	359.84	8.37	-47.18
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)C(C)=N2)C=C1	REAL300007652515	0	42	-1.0	-58.81	376.98	5.95	-52.86
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC3=NON=C32)C=C1	REAL300007652516	0	40	-1.0	-47.83	358.99	5.65	-42.18
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)C=C1F	REAL300007652517	0	43	-1.0	-46.72	385.20	6.24	-40.48
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C(F)=C2)C=C1	REAL300007652518	0	42	-1.0	-42.74	376.22	7.56	-35.18
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)C=N2)C=C1	REAL300007652519	0	39	-1.0	-60.34	350.73	5.79	-54.55
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CN=C2)C=C1	REAL300007652520	0	38	-1.0	-44.93	343.95	5.05	-39.88
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCCC2C)C=C1	REAL300007652521	0	47	-1.0	-41.61	378.97	7.06	-34.55
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C(C)C)C=C1	REAL300007652522	0	43	-1.0	-43.25	363.78	5.54	-37.71
CCCN(CCC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(SC)C=C1	REAL300007652523	0	49	-1.0	-53.84	398.24	7.74	-46.10
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(Cl)=CC=C2C)C=C1	REAL300007652524	0	42	-1.0	-54.22	379.39	8.87	-45.35
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2CC2)C=C1	REAL300007652525	0	36	-1.0	-54.33	325.45	5.72	-48.61
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)C=C1C	REAL300007652526	0	46	-1.0	-45.61	398.99	6.89	-38.72
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)C(C)=C1	REAL300007652527	0	46	-1.0	-54.28	389.48	7.65	-46.63
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2F)C=C1	REAL300007652528	0	42	-1.0	-48.36	376.38	7.58	-40.78
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)N=C(C)S2)C=C1	REAL300007652529	0	41	-1.0	-43.28	365.80	5.24	-38.04
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCC2)C=C1	REAL300007652530	0	45	-1.0	-42.03	376.19	7.28	-34.75
COC1=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)=CC=C1F	REAL300007652531	0	43	-1.0	-43.37	385.19	6.22	-37.15
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CSC=C2)C=C1	REAL300007652532	0	36	-1.0	-41.86	340.85	5.79	-36.07
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C2CC2)C=C1	REAL300007652533	0	41	-1.0	-52.51	353.27	6.28	-46.23
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C3NC=CC=C23)C=C1	REAL300007652534	0	42	-1.0	-70.89	381.69	6.31	-64.58
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC(C)=C2)C=C1	REAL300007652535	0	45	-1.0	-56.34	396.63	8.53	-47.81
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC(F)=C2)C=C1	REAL300007652536	0	42	-1.0	-43.45	377.48	7.63	-35.82
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2C)C=C1	REAL300007652537	0	45	-1.0	-44.88	387.23	8.13	-36.75
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300007652538	0	44	-1.0	-45.61	384.84	6.14	-39.47
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(SC)C=C2)C=C1	REAL300007652539	0	43	-1.0	-44.76	389.05	7.87	-36.89
CCCCCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(SC)C=C1	REAL300007652540	0	50	-1.0	-48.05	416.34	8.28	-39.77
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)N=C1C	REAL300007652541	0	45	-1.0	-53.62	391.69	6.48	-47.14
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCO2)C=C1	REAL300007652542	0	43	-1.0	-45.30	367.20	4.95	-40.35
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCCO2)C=C1	REAL300007652543	0	46	-1.0	-43.67	386.15	5.77	-37.90
COCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)=C1	REAL300007652544	0	46	-1.0	-45.43	404.56	6.58	-38.85
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)C=N1	REAL300007652545	0	42	-1.0	-48.27	376.13	5.41	-42.86
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2Cl)C=C1	REAL300007652546	0	42	-1.0	-46.56	384.77	8.01	-38.55
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C(C)C2CC2)C=C1	REAL300007652547	0	47	-1.0	-53.42	384.95	7.44	-45.98
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2C)C=C1	REAL300007652548	0	39	-1.0	-43.15	340.36	4.29	-38.86
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCOC2)C=C1	REAL300007652549	0	43	-1.0	-51.63	361.10	4.60	-47.03
CCCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(SC)C=C1	REAL300007652550	0	44	-1.0	-48.03	373.35	6.72	-41.31
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)CC2CC2)C=C1	REAL300007652552	0	44	-1.0	-52.69	376.00	7.20	-45.49
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)OC(C)=C2)C=C1	REAL300007652553	0	42	-1.0	-43.14	365.37	6.15	-36.99
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CS2)C=C1	REAL300007652554	0	39	-1.0	-43.26	363.86	6.58	-36.68
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300007652555	0	42	-1.0	-56.65	376.31	7.12	-49.53
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300007652556	0	42	-1.0	-46.96	375.52	5.51	-41.45
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)C=N1	REAL300007652557	0	42	-1.0	-43.82	376.09	3.49	-40.33
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CO2)C=C1	REAL300007652558	0	36	-1.0	-45.13	333.50	4.94	-40.19
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300007652559	0	43	-1.0	-51.68	376.73	6.20	-45.48
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=COC=C2)C=C1	REAL300007652560	0	36	-1.0	-44.46	332.26	4.77	-39.69
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=CS2)C=C1	REAL300007652561	0	39	-1.0	-43.31	350.38	6.21	-37.10
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COC1=CN=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)=C1	REAL300007652576	0	42	-1.0	-45.39	374.09	4.30	-41.09
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1	REAL300007652577	0	46	-1.0	-53.40	402.60	9.22	-44.18
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2(C)CC2)C=C1	REAL300007652581	0	39	-1.0	-55.14	333.60	6.72	-48.42
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CSC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2N)C=C1	REAL300007652585	0	39	-2.0	-116.39	358.14	4.15	-112.24
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)ON=C2N)C=C1	REAL300007652585	1	40	-1.0	-48.51	356.13	4.42	-44.09
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(N(C)C)N=C2)C=C1	REAL300007652586	0	46	-1.0	-46.84	398.82	6.64	-40.20
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=C(C)S2)C=C1	REAL300007652587	0	42	-1.0	-56.30	369.64	7.76	-48.54
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300007652588	0	42	-1.0	-47.50	381.01	5.63	-41.87
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=C(F)C(C)=C2)C=C1	REAL300007652589	0	45	-1.0	-50.76	400.42	8.46	-42.30
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)N=C2)C=C1	REAL300007652590	0	41	-1.0	-44.70	365.52	5.62	-39.08
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=C(Cl)C=C2)C=C1	REAL300007652592	0	42	-1.0	-49.40	385.49	7.91	-41.49
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(Cl)C(C)=C2)C=C1	REAL300007652593	0	42	-1.0	-42.14	384.93	7.96	-34.18
CCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)CC1	REAL300007652594	0	42	-1.0	-45.19	329.64	7.12	-38.07
CCOC(CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(SC)C=C1)C1CC1	REAL300007652595	0	49	-1.0	-43.35	410.92	7.30	-36.05
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300007652606	0	46	-1.0	-46.97	399.61	6.50	-40.47
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300007652608	0	46	-1.0	-54.77	387.80	6.81	-47.96
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C=C1	REAL300007652610	0	48	-1.0	-53.98	385.61	7.35	-46.63
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1	REAL300007652612	0	46	-1.0	-46.15	403.17	6.69	-39.46
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=COC3=CC=CC=C23)C=C1	REAL300007652613	0	42	-1.0	-46.44	376.54	7.04	-39.40
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCC(C)(C)C2)C=C1	REAL300007652615	0	50	-1.0	-48.90	399.87	7.04	-41.86
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300007652616	0	43	-1.0	-43.97	387.08	8.07	-35.90
CCCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)=C1	REAL300007652617	0	48	-1.0	-44.66	413.88	9.06	-35.60
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C3CCCC3=NN2C)C=C1	REAL300007652618	0	46	-1.0	-51.91	397.76	6.61	-45.30
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C=C1	REAL300007652619	0	45	-1.0	-53.02	380.31	6.50	-46.52
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=CC=C2C)C=C1	REAL300007652620	0	45	-1.0	-43.09	376.58	8.44	-34.65
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1	REAL300007652622	0	48	-1.0	-48.17	414.17	6.54	-41.63
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C2CCC2)C=C1	REAL300007652627	0	44	-1.0	-52.45	370.11	6.15	-46.30
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CC(C)(C)CO2)C=C1	REAL300007652644	0	49	-1.0	-45.49	407.90	6.45	-39.04
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CO2)C=C1	REAL300007652653	0	39	-1.0	-53.98	357.98	5.80	-48.18
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CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C=C1	REAL300007652656	0	51	-1.0	-48.98	404.01	7.11	-41.87
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CSC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300007652657	1	35	-2.0	-123.30	350.69	5.25	-118.05
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300007652658	0	36	-1.0	-41.34	359.10	6.42	-34.92
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300007652659	0	46	-1.0	-47.45	381.58	9.22	-38.23
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(C)(C)CC2)C=C1	REAL300007652660	0	50	-1.0	-53.02	392.72	7.42	-45.60
COC1=NC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)C=C1C	REAL300007652661	0	45	-1.0	-45.21	396.34	4.25	-40.96
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(CC(C)C)N=C2)C=C1	REAL300007652662	0	48	-1.0	-47.89	412.99	6.99	-40.90
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C(C)C)N=C2C)C=C1	REAL300007652663	0	48	-1.0	-53.93	413.69	7.39	-46.54
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2C(C)C)C=C1	REAL300007652664	0	45	-1.0	-43.87	383.14	5.89	-37.98
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300007652665	0	46	-1.0	-45.77	389.65	6.89	-38.88
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC3=CC=CN=C32)C=C1	REAL300007652666	0	44	-1.0	-50.21	384.33	7.09	-43.12
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)N(C(C)C)N=C2)C=C1	REAL300007652667	0	48	-1.0	-57.12	412.83	7.47	-49.65
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=NC=C(C)C=C2C)C=C1	REAL300007652668	0	44	-1.0	-46.23	382.87	6.36	-39.87
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NC=C2C)C=C1	REAL300007652669	0	41	-1.0	-44.10	345.92	5.95	-38.15
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CC3CCC(C2)O3)C=C1	REAL300007652670	0	46	-1.0	-54.03	363.29	5.16	-48.87
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(C#N)CC2)C=C1	REAL300007652671	0	45	-1.0	-55.11	379.52	6.79	-48.32
COC1=CC=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)=C1	REAL300007652672	0	42	-1.0	-48.61	374.87	4.21	-44.40
C=CCN(CC=C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(SC)C=C1	REAL300007652673	0	45	-1.0	-53.71	385.70	7.41	-46.30
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)N=C1	REAL300007652674	0	42	-1.0	-46.19	375.74	4.21	-41.98
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=NC=CC=C2C)C=C1	REAL300007652675	0	41	-1.0	-58.74	364.58	6.14	-52.60
CCOC1=CC=CN=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(SC)C=C1	REAL300007652676	0	45	-1.0	-51.75	393.11	6.21	-45.54
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NC(C)=C2)C=C1	REAL300007652677	0	41	-1.0	-44.14	366.33	5.69	-38.45
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CNC3=CC=CC=C23)C=C1	REAL300007652678	0	43	-1.0	-56.20	386.96	7.10	-49.10
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(F)(F)C2)C=C1	REAL300007652679	0	41	-1.0	-50.53	367.93	5.59	-44.94
CSC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=CS2)C=C1	REAL300007652680	0	35	-1.0	-43.62	336.15	4.01	-39.61
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652681	0	29	-1.0	-42.98	277.92	4.13	-38.85
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CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652683	0	32	-1.0	-52.16	298.39	0.32	-51.84
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300007652684	0	30	-1.0	-40.45	281.61	2.50	-37.95
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OC	REAL300007652685	0	37	-1.0	-47.93	315.30	2.72	-45.21
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300007652686	0	42	-1.0	-42.30	339.54	6.60	-35.70
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300007652687	0	26	-1.0	-41.95	257.26	3.34	-38.61
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300007652688	0	26	-1.0	-40.40	256.92	3.33	-37.07
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652689	0	31	-1.0	-45.21	273.05	4.85	-40.36
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300007652690	0	32	-1.0	-56.26	302.45	4.73	-51.53
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652691	0	36	-1.0	-43.93	318.52	-0.70	-44.63
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652692	0	37	-1.0	-53.61	324.71	4.61	-49.00
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652693	0	35	-1.0	-69.77	327.17	0.95	-68.82
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CC1	REAL300007652694	0	31	-1.0	-55.07	285.68	4.37	-50.70
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CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652696	0	43	-1.0	-47.57	375.30	1.95	-45.62
CS(=O)(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CC2)CC1	REAL300007652697	0	36	-1.0	-50.72	299.63	-1.78	-52.50
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300007652698	0	35	-1.0	-52.76	316.57	3.86	-48.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CC1	REAL300007652699	0	39	-1.0	-51.24	344.81	5.53	-45.71
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652700	0	34	-1.0	-48.12	301.35	2.07	-46.05
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)CC1	REAL300007652701	0	32	-1.0	-42.01	304.91	3.67	-38.34
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OC	REAL300007652702	0	34	-1.0	-44.46	312.58	2.39	-42.07
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(OC)C=C1Br	REAL300007652703	0	34	-1.0	-44.99	319.32	2.17	-42.82
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300007652704	0	29	-1.0	-39.81	275.04	3.87	-35.94
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CC1	REAL300007652705	0	32	-1.0	-44.83	296.02	5.36	-39.47
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3=CC=C(Br)C=C3)C=C2)CC1	REAL300007652706	0	36	-1.0	-41.85	333.16	6.83	-35.02
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COCCOC1=C(Cl)C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300007652708	0	37	-1.0	-51.77	363.14	3.49	-48.28
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300007652709	0	30	-1.0	-43.42	281.00	2.32	-41.10
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CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652711	0	41	-1.0	-56.12	337.87	4.09	-52.03
COCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652712	0	37	-1.0	-47.82	324.88	2.15	-45.67
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CC1	REAL300007653001	0	32	-1.0	-57.36	289.52	3.18	-54.18
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)CC1	REAL300007653002	0	30	-1.0	-43.70	295.46	3.10	-40.60
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C)=C1F	REAL300007653003	0	35	-1.0	-50.28	292.84	4.96	-45.32
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1OC	REAL300007653004	0	34	-1.0	-46.25	292.69	2.31	-43.94
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300007653005	0	39	-1.0	-46.29	330.24	3.47	-42.82
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007653006	0	38	-1.0	-56.14	317.38	3.27	-52.87
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C)=N1	REAL300007653007	0	38	-1.0	-45.29	328.86	3.29	-42.00
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)CC1	REAL300007653008	0	30	-1.0	-46.92	278.51	2.14	-44.78
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300007653009	0	32	-1.0	-42.81	294.70	4.55	-38.26
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)CC1	REAL300007653010	0	32	-1.0	-39.40	306.10	3.66	-35.74
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007653011	0	44	-1.0	-46.38	355.06	6.51	-39.87
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)CC1	REAL300007653012	0	32	-1.0	-39.63	307.12	4.58	-35.05
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)CC1	REAL300007653013	0	37	-1.0	-45.25	340.17	5.18	-40.07
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300007653014	0	35	-1.0	-67.56	307.58	3.95	-63.61
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300007653015	0	31	-1.0	-41.40	286.53	2.46	-38.94
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300007653016	0	29	-1.0	-37.50	281.21	3.81	-33.69
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007653017	0	37	-1.0	-49.07	320.20	4.75	-44.32
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)CC1	REAL300007653018	0	37	-1.0	-59.65	311.61	5.85	-53.80
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CC1	REAL300007653019	0	32	-1.0	-42.12	300.34	3.57	-38.55
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=C2COCC3)CC1	REAL300007653020	0	33	-1.0	-46.63	286.57	1.14	-45.49
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007653021	0	36	-1.0	-53.46	338.35	3.52	-49.94
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2C(F)(F)F)CC1	REAL300007653022	0	26	-1.0	-39.59	255.95	2.87	-36.72
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300007653023	0	40	-1.0	-45.44	337.43	1.65	-43.79
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007653024	0	32	-1.0	-39.48	288.88	4.24	-35.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)CC1	REAL300007653025	0	30	-1.0	-44.53	274.87	2.30	-42.23
O=C([O-])C1(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CC1	REAL300007653026	0	41	-1.0	-39.97	331.28	5.76	-34.21
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300007653027	0	37	-1.0	-53.08	313.05	4.93	-48.15
O=C([O-])C1(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)CC1	REAL300007653028	0	34	-1.0	-37.19	291.26	3.21	-33.98
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)CC1	REAL300007653029	0	29	-1.0	-55.88	301.67	4.79	-51.09
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007653030	0	36	-1.0	-43.78	311.14	3.65	-40.13
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)CC1	REAL300007653031	0	39	-1.0	-45.24	322.46	3.60	-41.64
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CC1	REAL300007653032	0	37	-1.0	-45.17	330.33	5.44	-39.73
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC(C)=C1Br	REAL300007653033	0	32	-1.0	-53.27	299.88	4.50	-48.77
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)CC1	REAL300007653034	0	29	-1.0	-55.88	301.67	4.79	-51.09
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300007653035	0	35	-1.0	-49.17	299.36	5.46	-43.71
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300007653036	0	36	-1.0	-56.96	317.64	4.63	-52.33
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)CC1	REAL300007653037	0	30	-1.0	-44.80	294.97	4.48	-40.32
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)CC1	REAL300007653038	0	30	-1.0	-55.81	296.35	4.61	-51.20
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300007653039	0	35	-1.0	-62.91	313.47	2.81	-60.10
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300007653039	1	34	-2.0	-139.96	308.93	2.45	-137.51
O=C([O-])C1(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CC1	REAL300007653040	0	43	-1.0	-40.89	312.26	5.63	-35.26
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300007653041	0	30	-1.0	-67.58	288.44	1.76	-65.82
O=C([O-])C1(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CC1	REAL300007653042	0	36	-1.0	-41.46	321.44	5.72	-35.74
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300007653043	0	48	-1.0	-44.10	365.38	6.90	-37.20
COC1=CC=C(C=C(C)S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007653044	0	37	-1.0	-57.07	312.70	4.04	-53.03
COC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1OC	REAL300007653045	0	31	-1.0	-56.64	296.37	1.44	-55.20
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CC1	REAL300007653046	0	30	-1.0	-50.47	291.35	3.35	-47.12
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300007653047	0	30	-1.0	-59.05	280.13	2.33	-56.72
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(F)=C1	REAL300007653047	1	29	-2.0	-133.77	273.53	2.80	-130.97
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CC1	REAL300007653048	0	30	-1.0	-44.34	281.18	2.36	-41.98
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CC1	REAL300007653049	0	35	-1.0	-40.97	314.55	3.21	-37.76
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007653050	0	39	-1.0	-51.92	332.51	5.06	-46.86
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CC1	REAL300007653051	0	37	-1.0	-47.94	329.50	5.74	-42.20
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007653052	0	32	-1.0	-46.59	278.87	4.60	-41.99
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CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300007653055	0	30	-1.0	-65.16	281.38	2.54	-62.62
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CC1=NN(C2CCCC2)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007653060	0	39	-1.0	-41.86	317.58	3.63	-38.23
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CN1N=C2CCOCC2=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007653063	0	34	-1.0	-49.49	289.89	0.63	-48.86
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COC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007653066	0	29	-1.0	-43.28	284.24	0.30	-42.98
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CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007653070	0	40	-1.0	-54.74	352.45	6.37	-48.37
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CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007653072	0	34	-1.0	-49.13	290.28	-1.45	-50.58
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300007653073	0	49	-1.0	-43.22	409.17	8.00	-35.22
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C(F)F)=C1	REAL300007653074	0	33	-1.0	-45.31	291.00	3.36	-41.95
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007653075	0	32	-1.0	-42.86	306.37	0.77	-42.09
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CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007653078	0	39	-1.0	-47.98	331.21	4.32	-43.66
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CC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653081	0	37	-1.0	-48.78	351.90	6.28	-42.50
CCCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653082	0	39	-1.0	-50.93	347.85	5.33	-45.60
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CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653085	0	44	-1.0	-51.51	386.77	8.31	-43.20
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300007653086	0	32	-1.0	-42.38	320.87	5.58	-36.80
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COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653088	0	39	-1.0	-43.86	340.58	6.55	-37.31
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COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OC	REAL300007653090	0	43	-1.0	-53.37	382.73	5.88	-47.49
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653091	0	35	-1.0	-49.01	340.99	7.17	-41.84
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300007653092	0	32	-1.0	-44.31	313.63	3.52	-40.79
CCN(CC)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653093	0	36	-1.0	-41.41	322.60	4.54	-36.87
CN(C1CCCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653094	0	43	-1.0	-40.11	360.37	6.09	-34.02
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653095	0	38	-1.0	-50.41	343.45	4.68	-45.73
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CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653097	0	38	-1.0	-51.87	351.01	7.17	-44.70
CC1=NNC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653098	0	32	-1.0	-43.14	306.65	2.62	-40.52
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653099	0	37	-1.0	-48.25	337.72	8.10	-40.15
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CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653101	0	42	-1.0	-45.87	391.62	2.27	-43.60
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653102	0	43	-1.0	-50.82	390.96	7.54	-43.28
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653103	0	35	-1.0	-43.41	336.92	6.54	-36.87
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COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653106	0	39	-1.0	-43.10	363.81	5.56	-37.54
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300007653107	0	38	-1.0	-42.36	356.10	3.40	-38.96
CS(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653108	0	37	-1.0	-48.76	356.65	1.77	-46.99
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1C	REAL300007653109	0	42	-1.0	-52.23	369.27	6.56	-45.67
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1=CC=C(Cl)C=C1	REAL300007653110	0	37	-1.0	-48.16	350.08	6.20	-41.96
O=C([O-])C(NS(=O)(=O)CC1=NOC=C1)C1=CC=C(Cl)C=C1	REAL300007653111	0	31	-1.0	-47.11	306.41	3.74	-43.37
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=NN1C	REAL300007653112	0	35	-1.0	-54.38	330.27	3.98	-50.40
CN(C1CCOCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653113	0	41	-1.0	-39.45	351.38	3.71	-35.74
O=C([O-])C(NS(=O)(=O)N1CC2CCC1C2)C1=CC=C(Cl)C=C1	REAL300007653114	0	38	-1.0	-42.63	335.13	5.33	-37.30
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1C	REAL300007653115	0	41	-1.0	-50.18	365.03	5.58	-44.60
CC(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300007653116	0	38	-1.0	-45.55	351.82	4.87	-40.68
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653117	0	41	-1.0	-50.20	373.65	7.08	-43.12
CC(C)N1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653118	0	38	-1.0	-59.91	354.76	6.14	-53.77
CC(C)C1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CN1	REAL300007653119	0	38	-1.0	-60.14	353.12	4.20	-55.94
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653120	0	44	-1.0	-45.50	361.77	8.30	-37.20
O=C([O-])C(NS(=O)(=O)CC1CCCOC1)C1=CC=C(Cl)C=C1	REAL300007653121	0	39	-1.0	-39.74	338.36	4.46	-35.28
CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653122	0	35	-1.0	-40.63	322.15	6.40	-34.23
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653123	0	47	-1.0	-49.91	397.38	6.58	-43.33
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300007653124	0	35	-1.0	-43.59	340.93	6.69	-36.90
COCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653125	0	43	-1.0	-44.30	376.22	5.31	-38.99
COCCC(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653126	0	38	-1.0	-53.07	341.90	4.14	-48.93
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653127	0	36	-1.0	-40.56	327.57	5.67	-34.89
CCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653128	0	37	-1.0	-39.84	323.87	5.60	-34.24
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C=CC=C2C=C1	REAL300007653129	0	40	-1.0	-50.05	350.35	7.23	-42.82
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653130	0	40	-1.0	-50.67	369.49	7.63	-43.04
CCN(CC1CC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653131	0	40	-1.0	-41.29	353.06	6.13	-35.16
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1=CC=C(Cl)C=C1	REAL300007653132	0	43	-1.0	-45.47	384.22	4.32	-41.15
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653133	0	38	-1.0	-50.23	356.41	6.56	-43.67
COCCOCCOCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653134	0	46	-1.0	-46.43	413.05	3.04	-43.39
O=C([O-])C(NS(=O)(=O)CCOCC1CC1)C1=CC=C(Cl)C=C1	REAL300007653135	0	39	-1.0	-43.23	358.71	5.05	-38.18
CC(COC1CCCC1)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653136	0	48	-1.0	-39.99	408.48	7.11	-32.88
COCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653137	0	38	-1.0	-39.92	341.69	4.07	-35.85
CCOCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653138	0	41	-1.0	-39.24	360.44	5.02	-34.22
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1=CC=C(Cl)C=C1	REAL300007653139	0	40	-1.0	-43.62	365.18	3.54	-40.08
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653140	0	41	-1.0	-54.08	363.52	7.84	-46.24
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CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653142	0	39	-1.0	-43.89	358.42	5.99	-37.90
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300007653143	0	39	-1.0	-43.58	368.85	3.42	-40.16
CC(C)(C)CCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653144	0	40	-1.0	-41.22	348.25	5.94	-35.28
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CC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300007653147	0	37	-1.0	-41.41	332.80	4.77	-36.64
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653148	0	39	-1.0	-51.47	355.88	5.89	-45.58
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1=CC=C(Cl)C=C1	REAL300007653149	0	35	-1.0	-46.24	351.03	4.84	-41.40
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1=CC=C(Cl)C=C1	REAL300007653150	0	35	-1.0	-45.77	344.98	4.67	-41.10
CC1(C)CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)=CC=C2O1	REAL300007653151	0	43	-1.0	-43.87	384.52	7.03	-36.84
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653152	0	36	-1.0	-45.26	345.01	6.88	-38.38
CCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653153	0	38	-1.0	-43.05	351.67	7.25	-35.80
CCC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653154	0	41	-1.0	-42.34	371.22	7.88	-34.46
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CC(C)CN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653157	0	39	-1.0	-51.56	342.32	5.31	-46.25
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CN(C1CCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653159	0	40	-1.0	-40.37	344.56	5.53	-34.84
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CC1=NOC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653162	0	34	-1.0	-54.00	328.64	4.61	-49.39
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COC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653171	0	35	-1.0	-54.39	324.10	3.68	-50.71
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C12	REAL300007653172	0	39	-1.0	-45.63	370.32	3.52	-42.11
CN1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)=CN=C21	REAL300007653173	0	37	-1.0	-44.91	353.44	4.95	-39.96
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COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1F	REAL300007653175	0	39	-1.0	-49.83	358.44	6.02	-43.81
CC1(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CCCCC1	REAL300007653176	0	44	-1.0	-41.28	357.50	7.26	-34.02
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CN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653178	0	31	-1.0	-42.71	302.45	2.27	-40.44
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(F)=C1	REAL300007653179	0	38	-1.0	-57.66	358.44	7.16	-50.50
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653180	0	44	0.0	-80.95	386.76	7.61	-73.34
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CC(C)(C)C1=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=NO1	REAL300007653183	0	43	-1.0	-57.35	389.85	6.48	-50.87
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CC(C)(C)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653185	0	43	-1.0	-39.64	366.65	6.67	-32.97
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COCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300007653189	0	36	-1.0	-44.52	333.58	4.85	-39.67
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CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1[N+](=O)[O-]	REAL300007653198	0	40	-1.0	-42.42	371.55	7.65	-34.77
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CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653203	0	37	-1.0	-40.88	349.30	7.14	-33.74
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653204	0	36	-1.0	-42.91	338.23	5.12	-37.79
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CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653206	0	35	-1.0	-52.54	329.77	6.38	-46.16
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653207	0	39	-1.0	-50.98	359.70	5.92	-45.06
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1C	REAL300007653208	0	44	-1.0	-43.35	367.81	8.41	-34.94
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1	REAL300007653209	0	41	-1.0	-43.04	356.96	8.08	-34.96
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653210	0	47	-1.0	-41.91	392.89	8.69	-33.22
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CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653212	0	35	-1.0	-43.84	330.52	6.48	-37.36
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300007653213	0	36	-1.0	-45.12	338.97	6.97	-38.15
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CC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653216	0	37	-1.0	-43.54	349.21	6.23	-37.31
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653217	0	38	-1.0	-41.56	338.08	7.03	-34.53
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1C	REAL300007653218	0	38	-1.0	-44.89	347.52	7.01	-37.88
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1	REAL300007653219	0	38	-1.0	-52.91	345.67	7.32	-45.59
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653220	0	44	-1.0	-43.48	384.95	8.15	-35.33
CC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653221	0	41	-1.0	-51.80	368.56	7.63	-44.17
CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653222	0	34	-1.0	-40.62	314.51	5.01	-35.61
CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653223	0	41	-1.0	-43.35	373.48	8.02	-35.33
COC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653224	0	36	-1.0	-43.64	319.45	5.93	-37.71
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300007653225	0	35	-1.0	-54.80	331.91	6.43	-48.37
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1C	REAL300007653226	0	47	-1.0	-52.46	382.12	8.79	-43.67
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CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1[N+](=O)[O-]	REAL300007653228	0	37	-1.0	-42.42	353.32	7.00	-35.42
CC1=NNC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653229	0	35	-1.0	-48.53	321.87	3.46	-45.07
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COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653232	0	40	-1.0	-43.96	348.66	5.19	-38.77
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OC	REAL300007653233	0	40	-1.0	-45.18	367.82	5.02	-40.16
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CC1=NOC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653235	0	34	-1.0	-41.52	321.92	4.79	-36.73
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CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653238	0	47	-1.0	-42.50	412.20	9.33	-33.17
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC([N+](=O)[O-])=C1C	REAL300007653239	0	40	-1.0	-42.43	373.50	7.65	-34.78
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CC1=CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)=C2N=C1	REAL300007653242	0	40	-1.0	-50.02	353.56	7.45	-42.57
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653243	0	36	-1.0	-51.51	354.26	6.09	-45.42
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O=C([O-])C(NS(=O)(=O)N1CCCC1)C1=CC=C(Cl)C=C1	REAL300007653245	0	34	-1.0	-42.80	311.36	4.12	-38.68
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CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C2=CC=CN=C12	REAL300007653247	0	40	-1.0	-53.45	365.78	7.06	-46.39
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1C	REAL300007653248	0	40	-1.0	-48.37	359.43	8.38	-39.99
CC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300007653249	0	40	-1.0	-41.54	348.10	5.59	-35.95
CC1CC(C)CN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300007653250	0	43	-1.0	-50.78	356.48	5.90	-44.88
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O=C([O-])C(NS(=O)(=O)C1=COC=C1)C1=CC=C(Cl)C=C1	REAL300007653351	0	29	-1.0	-42.84	291.62	3.71	-39.13
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)SC=C1	REAL300007653352	0	32	-1.0	-53.10	317.00	5.28	-47.82
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1=CC=C(Cl)C=C1	REAL300007653353	0	40	-1.0	-45.67	362.79	6.43	-39.24
O=C([O-])C(NS(=O)(=O)C1CC2=CC=CC=C2C1)C1=CC=C(Cl)C=C1	REAL300007653354	0	39	-1.0	-42.78	349.72	7.53	-35.25
O=C([O-])C(NS(=O)(=O)C1CCOC1)C1=CC=C(Cl)C=C1	REAL300007653355	0	33	-1.0	-52.46	300.48	2.71	-49.75
C=CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653356	0	32	-1.0	-40.73	305.83	4.79	-35.94
O=C([O-])C(NS(=O)(=O)C1=CNC=N1)C1=CC=C(Cl)C=C1	REAL300007653357	0	29	-1.0	-55.94	290.15	3.12	-52.82
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1[N+](=O)[O-]	REAL300007653358	0	37	-1.0	-39.31	351.28	6.95	-32.36
O=C([O-])C(NS(=O)(=O)CCCF)C1=CC=C(Cl)C=C1	REAL300007653359	0	31	-1.0	-38.32	296.51	4.34	-33.98
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CC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653361	0	35	-1.0	-51.58	332.60	4.10	-47.48
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300007653362	0	32	-1.0	-53.29	313.94	4.59	-48.70
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)N(C)N=C1	REAL300007653363	0	35	-1.0	-47.78	322.47	4.10	-43.68
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CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653365	0	40	-1.0	-45.90	360.58	6.21	-39.69
C=C(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653366	0	32	-1.0	-53.04	306.24	4.63	-48.41
CC1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C2C=C1	REAL300007653367	0	41	-1.0	-46.72	376.39	8.75	-37.97
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)SC=C1	REAL300007653368	0	33	-1.0	-58.47	325.63	4.24	-54.23
C=CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653369	0	35	-1.0	-39.66	324.22	5.54	-34.12
CN(C)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653370	0	40	-1.0	-45.65	360.62	6.20	-39.45
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O=C([O-])C(NS(=O)(=O)C1=CC=C2CCOC2=C1)C1=CC=C(Cl)C=C1	REAL300007653374	0	37	-1.0	-45.51	344.90	5.64	-39.87
O=C([O-])C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1	REAL300007653375	0	38	-1.0	-52.52	370.15	7.74	-44.78
CN1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C21	REAL300007653376	0	44	-1.0	-47.31	383.32	6.35	-40.96
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1=CC=C(Cl)C=C1	REAL300007653377	0	34	-1.0	-41.64	343.81	5.06	-36.58
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653378	0	40	-1.0	-61.28	360.31	6.30	-54.98
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653379	0	40	-1.0	-48.15	367.98	7.84	-40.31
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1[N+](=O)[O-]	REAL300007653380	0	40	-1.0	-58.51	363.67	8.71	-49.80
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1[N+](=O)[O-]	REAL300007653381	0	40	-1.0	-55.42	368.96	7.75	-47.67
COC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653382	0	42	-1.0	-53.88	382.69	6.54	-47.34
COC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653383	0	35	-1.0	-43.50	331.64	3.26	-40.24
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300007653384	0	41	-1.0	-43.16	380.05	7.43	-35.73
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C1=CC=C(Cl)C=C1	REAL300007653385	0	39	-1.0	-51.65	357.35	7.83	-43.82
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC(OC)=C1	REAL300007653386	0	40	-1.0	-47.49	368.07	4.41	-43.08
O=C([O-])C(NS(=O)(=O)CCC1CCCCC1)C1=CC=C(Cl)C=C1	REAL300007653387	0	44	-1.0	-40.30	370.59	7.41	-32.89
CC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007653388	0	41	-1.0	-41.90	371.22	7.90	-34.00
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)OCO2	REAL300007653389	0	38	-1.0	-52.46	350.25	5.32	-47.14
O=C([O-])C(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C1=CC=C(Cl)C=C1	REAL300007653390	0	35	-1.0	-48.04	335.17	6.10	-41.94
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1Cl	REAL300007653391	0	36	-1.0	-41.99	354.63	5.67	-36.32
O=C([O-])C(NS(=O)(=O)CCC1CCCC1)C1=CC=C(Cl)C=C1	REAL300007653392	0	41	-1.0	-40.15	355.03	6.85	-33.30
CN1C=NC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)=CC=C21	REAL300007653393	0	38	-1.0	-51.54	357.37	7.15	-44.39
CC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300007653394	0	32	-1.0	-53.44	301.23	5.03	-48.41
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C2=NC=CC=C2C=C1	REAL300007653395	0	40	-1.0	-64.96	359.96	7.67	-57.29
CC1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C2O1	REAL300007653396	0	37	-1.0	-45.77	350.56	3.44	-42.33
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1CC	REAL300007653397	0	44	-1.0	-44.68	386.16	8.37	-36.31
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653398	0	40	-1.0	-38.90	363.76	8.07	-30.83
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653399	0	42	-1.0	-47.65	371.84	7.57	-40.08
CC1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653400	0	35	-1.0	-52.97	342.03	6.10	-46.87
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653401	0	33	-1.0	-40.22	332.08	3.68	-36.54
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300007653402	0	31	-1.0	-50.30	317.51	3.59	-46.71
CCC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300007653403	0	34	-1.0	-41.57	337.07	4.39	-37.18
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(N)=NO1	REAL300007653404	0	33	-1.0	-42.31	315.52	3.21	-39.10
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(N)=NO1	REAL300007653404	1	32	-2.0	-118.02	308.13	3.55	-114.47
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300007653405	0	39	-1.0	-45.68	355.73	5.56	-40.12
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300007653406	0	35	-1.0	-53.76	335.56	6.09	-47.67
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1=CC=C(Cl)C=C1	REAL300007653407	0	38	-1.0	-48.22	352.77	7.66	-40.56
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C1=CC=C(Cl)C=C1	REAL300007653408	0	35	-1.0	-47.49	334.85	4.46	-43.03
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC(C)=C1F	REAL300007653409	0	38	-1.0	-41.13	355.77	7.16	-33.97
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C1=CC=C(Cl)C=C1	REAL300007653410	0	39	-1.0	-48.34	363.08	5.53	-42.81
O=C([O-])C(NS(=O)(=O)CCCOCC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300007653411	0	45	-1.0	-56.02	408.70	7.30	-48.72
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C1=CC=C(Cl)C=C1	REAL300007653412	0	36	-1.0	-51.23	347.53	5.87	-45.36
O=C([O-])C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C1=CC=C(Cl)C=C1	REAL300007653413	0	34	-1.0	-57.70	340.75	5.16	-52.54
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300007653414	0	34	-1.0	-45.24	325.69	4.65	-40.59
CC1=NC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CS1	REAL300007653415	0	34	-1.0	-45.80	336.87	4.17	-41.63
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300007653416	0	39	-1.0	-53.73	351.39	5.08	-48.65
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1	REAL300007653417	0	35	-1.0	-40.38	348.15	6.99	-33.39
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1Cl	REAL300007653418	0	35	-1.0	-39.95	342.54	6.87	-33.08
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1=CC=C(Cl)C=C1	REAL300007653419	0	38	-1.0	-52.27	357.21	6.80	-45.47
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C1=CC=C(Cl)C=C1	REAL300007653420	0	40	-1.0	-56.84	361.52	6.97	-49.87
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C1=CC=C(Cl)C=C1	REAL300007653421	0	41	-1.0	-50.45	356.44	6.10	-44.35
O=C([O-])C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1=CC=C(Cl)C=C1	REAL300007653422	0	35	-1.0	-42.39	351.29	6.98	-35.41
CCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300007653423	0	35	-1.0	-42.66	316.34	5.70	-36.96
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653424	0	45	-1.0	-43.93	399.13	7.47	-36.46
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCC1	REAL300007653425	0	45	-1.0	-41.09	377.58	6.13	-34.96
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCC1	REAL300007653426	0	48	-1.0	-41.90	397.58	6.49	-35.41
CC1(C)CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CO1	REAL300007653427	0	39	-1.0	-51.98	342.11	4.17	-47.81
CCOC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300007653428	0	42	-1.0	-55.04	372.04	6.04	-49.00
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CN1CC1CC1	REAL300007653429	0	45	-1.0	-56.43	403.27	7.48	-48.95
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C1=CC=C(Cl)C=C1	REAL300007653430	0	35	-1.0	-43.44	348.84	5.33	-38.11
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1[N+](=O)[O-]	REAL300007653431	0	40	-1.0	-49.16	373.34	8.14	-41.02
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653432	0	39	-1.0	-42.52	351.45	5.57	-36.95
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653433	0	35	-1.0	-45.59	352.81	4.31	-41.28
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C(C)C=C1OC	REAL300007653434	0	45	-1.0	-52.81	396.20	7.32	-45.49
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300007653435	0	33	-2.0	-144.02	328.61	4.89	-139.13
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300007653435	1	34	-1.0	-50.71	336.19	4.82	-45.89
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C2=CC=CC=C2C=C1	REAL300007653436	0	41	-1.0	-47.57	358.94	8.88	-38.69
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300007653437	0	41	-1.0	-41.80	376.23	4.33	-37.47
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653438	0	36	-1.0	-47.46	327.82	6.34	-41.12
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1F	REAL300007653439	0	44	-1.0	-44.25	387.33	8.07	-36.18
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653440	0	42	-1.0	-45.59	366.38	5.80	-39.79
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C(C)(C)C)=N1	REAL300007653441	0	44	-1.0	-41.54	379.18	6.10	-35.44
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C1=CC=C(Cl)C=C1	REAL300007653442	0	42	-1.0	-44.54	376.51	6.16	-38.38
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653443	0	35	-1.0	-44.37	340.59	4.58	-39.79
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653444	0	39	-1.0	-45.89	365.99	5.89	-40.00
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CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)N=C1	REAL300007653565	0	43	-1.0	-56.12	381.92	6.13	-49.99
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CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=NN1C(C)C	REAL300007653571	0	41	-1.0	-45.09	373.27	5.61	-39.48
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CC1=CN=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1	REAL300007653573	0	37	-1.0	-58.07	341.98	5.33	-52.74
CC1=CN=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653574	0	34	-1.0	-49.91	319.90	4.85	-45.06
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653575	0	40	-1.0	-57.21	363.55	1.47	-55.74
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COC1=CC=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653578	0	35	-1.0	-55.20	333.89	3.12	-52.08
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COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)N=C1	REAL300007653580	0	35	-1.0	-46.85	334.51	3.17	-43.68
CC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653581	0	34	-1.0	-58.30	320.85	4.69	-53.61
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CCOC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007653583	0	38	-1.0	-49.81	352.81	5.13	-44.68
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C2=NC=CC=C12	REAL300007653584	0	40	-1.0	-60.90	367.06	6.93	-53.97
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=N1	REAL300007653585	0	34	-1.0	-42.69	325.88	4.64	-38.05
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CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007653590	0	45	-1.0	-46.29	398.14	7.94	-38.35
CCC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653591	0	41	-1.0	-56.26	325.64	6.28	-49.98
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653592	0	32	-1.0	-42.97	286.53	4.67	-38.30
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COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1OC	REAL300007653596	0	40	-1.0	-60.80	322.41	3.66	-57.14
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653597	0	32	-1.0	-55.17	280.56	4.97	-50.20
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CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653602	0	34	-1.0	-59.73	281.57	6.01	-53.72
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CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653604	0	39	-1.0	-66.38	331.61	0.36	-66.02
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653605	0	40	-1.0	-53.65	329.62	5.52	-48.13
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CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=N1	REAL300007653607	0	35	-1.0	-41.23	295.35	0.76	-40.47
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653608	0	38	-1.0	-70.00	332.00	1.90	-68.10
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C)=C1C	REAL300007653609	0	39	-1.0	-58.39	308.85	4.37	-54.02
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CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653613	0	46	-1.0	-62.77	385.12	2.88	-59.89
CS(=O)(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300007653614	0	39	-1.0	-62.64	318.66	-0.74	-63.38
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=NN1C1=CC=CC=N1	REAL300007653615	0	38	-1.0	-52.34	323.81	4.26	-48.08
CCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1C	REAL300007653616	0	38	-1.0	-47.31	305.14	2.89	-44.42
CC(C)CN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653617	0	38	-1.0	-52.75	312.32	5.17	-47.58
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653618	0	41	-1.0	-47.28	304.54	5.76	-41.52
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CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653620	0	37	-1.0	-73.73	313.21	3.11	-70.62
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)CCC1	REAL300007653621	0	35	-1.0	-41.17	313.52	4.23	-36.94
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1OC	REAL300007653622	0	37	-1.0	-55.60	321.43	3.54	-52.06
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(OC)C=C1Br	REAL300007653623	0	37	-1.0	-52.17	308.96	3.85	-48.32
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Br	REAL300007653624	0	32	-1.0	-57.39	286.61	4.88	-52.51
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCC1	REAL300007653625	0	35	-1.0	-44.28	305.30	5.84	-38.44
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COCCOC1=C(Cl)C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300007653627	0	40	-1.0	-51.71	368.50	4.43	-47.28
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCC1	REAL300007653628	0	33	-1.0	-53.94	292.44	3.33	-50.61
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CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653630	0	44	-1.0	-44.24	339.44	3.96	-40.28
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CCC1	REAL300007653631	0	32	-1.0	-55.43	279.15	4.56	-50.87
COCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653632	0	40	-1.0	-63.26	332.99	3.23	-60.03
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007671001	0	37	-1.0	-36.84	323.36	3.81	-33.03
COCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007671002	0	36	-1.0	-48.00	313.69	1.83	-46.17
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007671003	0	39	-1.0	-46.64	336.72	3.19	-43.45
COCC(C)(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007671004	0	47	-1.0	-59.22	368.12	3.84	-55.38
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007671005	0	35	-1.0	-48.62	299.56	3.04	-45.58
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671006	0	43	-1.0	-51.61	355.13	1.57	-50.04
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674001	0	33	-1.0	-54.35	291.72	3.16	-51.19
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CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674003	0	36	-1.0	-57.55	313.97	-0.75	-58.30
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CCOC1	REAL300007674004	0	34	-1.0	-41.48	288.90	1.94	-39.54
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1OC	REAL300007674005	0	41	-1.0	-56.18	327.74	1.79	-54.39
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674006	0	33	-1.0	-51.24	287.15	3.05	-48.19
CC1=NN(C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674007	0	36	-1.0	-48.90	286.71	0.45	-48.45
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCOC1	REAL300007674008	0	46	-1.0	-52.39	355.42	5.50	-46.89
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCOC3=C2)CCOC1	REAL300007674009	0	36	-1.0	-44.95	287.39	1.30	-43.65
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2Br)CCOC1	REAL300007674010	0	30	-1.0	-53.42	270.75	2.49	-50.93
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Br)=C2)CCOC1	REAL300007674011	0	30	-1.0	-42.39	263.53	2.74	-39.65
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674012	0	35	-1.0	-54.11	276.49	4.00	-50.11
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CCOC1	REAL300007674013	0	36	-1.0	-45.49	311.04	4.19	-41.30
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674014	0	40	-1.0	-50.02	333.47	-1.73	-51.75
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674015	0	41	-1.0	-50.32	335.68	3.55	-46.77
CC1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674016	0	33	-1.0	-52.86	281.17	2.45	-50.41
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)CCOC1	REAL300007674017	0	36	-1.0	-42.97	292.05	2.64	-40.33
COCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674018	0	37	-1.0	-53.51	308.60	1.41	-52.10
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300007674019	0	36	-1.0	-49.66	302.38	-0.75	-50.41
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674020	0	39	-1.0	-65.99	338.56	-0.11	-66.10
CS(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674021	0	35	-1.0	-58.17	298.03	-1.78	-59.95
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=C1C	REAL300007674022	0	40	-1.0	-54.73	314.22	2.51	-52.22
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CCOC1	REAL300007674023	0	35	-1.0	-41.81	308.66	1.79	-40.02
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C=C2)CCOC1	REAL300007674024	0	33	-1.0	-44.87	294.10	3.51	-41.36
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)CCOC1	REAL300007674025	0	35	-1.0	-45.57	283.84	2.52	-43.05
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=NN1C1=CC=CC=N1	REAL300007674026	0	39	-1.0	-57.31	329.49	2.91	-54.40
CCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1C	REAL300007674027	0	39	-1.0	-53.23	310.02	1.36	-51.87
CC(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300007674028	0	36	-1.0	-53.33	298.24	0.72	-52.61
CC(C)CN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674029	0	39	-1.0	-49.52	315.38	3.54	-45.98
CC(C)N1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674030	0	36	-1.0	-49.52	296.31	2.67	-46.85
CC(C)C1=NC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CN1	REAL300007674031	0	36	-1.0	-56.60	299.93	0.29	-56.31
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674032	0	42	-1.0	-55.00	306.67	4.41	-50.59
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674033	0	38	-1.0	-52.89	308.71	1.47	-51.42
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1OC	REAL300007674034	0	38	-1.0	-52.37	326.08	1.55	-50.82
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1Br	REAL300007674035	0	33	-1.0	-49.69	293.05	2.88	-46.81
CC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674036	0	33	-1.0	-51.17	274.25	2.63	-48.54
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCOC1	REAL300007674037	0	36	-1.0	-42.30	308.83	3.85	-38.45
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CCOC1	REAL300007674038	0	35	-1.0	-45.83	307.30	3.91	-41.92
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCOC1	REAL300007674039	0	34	-1.0	-43.55	288.35	1.80	-41.75
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCOC1	REAL300007674040	0	37	-1.0	-53.88	320.43	2.90	-50.98
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674041	0	45	-1.0	-53.05	344.32	2.47	-50.58
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CCOC1	REAL300007674042	0	33	-1.0	-51.58	285.72	2.54	-49.04
COCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674043	0	41	-1.0	-43.69	333.92	1.04	-42.65
C=CC(C)C(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007675001	0	32	-1.0	-39.87	307.81	4.79	-35.08
C=CC(C)C(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675002	0	37	-1.0	-46.87	311.18	6.26	-40.61
C=CC(C)C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007675003	0	38	-1.0	-53.77	347.67	6.09	-47.68
C=CC(C)C(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007675004	0	42	-1.0	-45.16	361.70	0.61	-44.55
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007675005	0	43	-1.0	-44.27	365.03	5.89	-38.38
C=CC(C)C(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007675006	0	35	-1.0	-52.63	313.65	4.81	-47.82
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007675007	0	38	-1.0	-45.53	333.54	4.69	-40.84
C=CC(C)C(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007675008	0	39	-1.0	-44.91	337.48	3.78	-41.13
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300007675009	0	38	-1.0	-43.72	331.45	1.68	-42.04
C=CC(C)C(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007675010	0	41	-1.0	-53.93	364.29	2.19	-51.74
C=CC(C)C(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007675011	0	37	-1.0	-70.79	329.07	0.02	-70.77
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007675012	0	42	-1.0	-55.45	342.53	4.86	-50.59
C=CC(C)C(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007675013	0	37	-1.0	-44.85	344.03	4.61	-40.24
C=CC(C)C(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007675014	0	35	-1.0	-54.68	330.74	5.42	-49.26
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007675015	0	37	-1.0	-54.51	321.89	4.36	-50.15
C=CC(C)C(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007675016	0	42	-1.0	-58.74	349.53	-0.60	-59.34
C=CC(C)C(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007675017	0	41	-1.0	-39.32	329.90	2.06	-37.26
C=CC(C)C(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007675018	0	41	-1.0	-55.79	357.54	5.34	-50.45
C=CC(C)C(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300007675019	0	41	-1.0	-46.43	341.41	3.98	-42.45
C=CC(C)C(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007675020	0	38	-1.0	-51.36	332.83	3.21	-48.15
C=CC(C)C(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007675021	0	41	-1.0	-47.67	348.55	5.33	-42.34
C=CC(C)C(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007675022	0	38	-1.0	-51.04	333.58	4.58	-46.46
C=CC(C)C(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007675023	0	38	-1.0	-61.19	330.84	2.55	-58.64
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007675024	0	44	-1.0	-44.35	334.64	6.80	-37.55
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007675025	0	45	-1.0	-59.32	386.39	7.00	-52.32
C=CC(C)C(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007675026	0	40	-1.0	-53.54	354.61	3.60	-49.94
C=CC(C)C(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007675027	0	40	-1.0	-53.74	353.98	3.83	-49.91
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007675028	0	35	-1.0	-40.95	323.36	5.29	-35.66
C=CC(C)C(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007675029	0	35	-1.0	-51.90	301.26	4.96	-46.94
C=CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007675030	0	38	-1.0	-53.12	336.84	6.80	-46.32
C=CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007675031	0	37	-1.0	-38.85	330.67	6.13	-32.72
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007675032	0	36	-1.0	-44.14	333.55	3.84	-40.30
C=CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007675033	0	39	-1.0	-43.41	336.25	5.74	-37.67
C=CC(C)C(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007675034	0	47	-1.0	-48.57	375.14	5.07	-43.50
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007675035	0	35	-1.0	-45.44	314.59	4.92	-40.52
C=CC(C)C(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007675036	0	43	-1.0	-45.80	353.40	3.98	-41.82
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676001	0	38	-1.0	-50.00	339.43	4.27	-45.73
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676002	0	38	-1.0	-45.35	349.55	4.56	-40.79
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676003	0	38	-1.0	-42.39	347.96	6.83	-35.56
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676004	0	37	-1.0	-58.57	338.46	7.69	-50.88
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300007676005	0	38	-1.0	-52.65	365.92	7.35	-45.30
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676006	0	43	-1.0	-50.81	386.75	7.13	-43.68
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676007	0	35	-1.0	-41.66	332.55	6.16	-35.50
O=C([O-])C(NS(=O)(=O)CCC1CC1)C1=CC=C(F)C(F)=C1	REAL300007676008	0	35	-1.0	-53.29	321.13	5.35	-47.94
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1=CC=C(F)C(F)=C1	REAL300007676009	0	38	-1.0	-50.67	350.96	5.87	-44.80
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676010	0	39	-1.0	-41.49	358.11	5.10	-36.39
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676011	0	38	-1.0	-47.81	353.16	2.94	-44.87
CS(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676012	0	37	-1.0	-67.64	353.15	1.33	-66.31
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1C	REAL300007676013	0	42	-1.0	-51.03	366.06	6.20	-44.83
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1=CC=C(F)C(F)=C1	REAL300007676014	0	37	-1.0	-51.49	345.21	5.67	-45.82
O=C([O-])C(NS(=O)(=O)CC1=NOC=C1)C1=CC=C(F)C(F)=C1	REAL300007676015	0	31	-1.0	-45.64	302.38	3.34	-42.30
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=NN1C	REAL300007676016	0	35	-1.0	-53.09	327.75	3.53	-49.56
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C	REAL300007676017	0	41	-1.0	-51.50	360.41	5.16	-46.34
CC(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676018	0	38	-1.0	-45.65	349.83	4.50	-41.15
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676019	0	41	-1.0	-58.62	369.83	6.33	-52.29
CC(C)N1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676020	0	38	-1.0	-58.29	350.73	5.74	-52.55
CC(C)C1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN1	REAL300007676021	0	38	-1.0	-52.39	343.32	4.34	-48.05
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676022	0	44	-1.0	-54.44	357.26	7.71	-46.73
CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676023	0	35	-1.0	-49.12	326.36	6.17	-42.95
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300007676024	0	35	-1.0	-42.00	335.23	6.24	-35.76
COCCC(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676025	0	38	-1.0	-53.31	337.91	3.74	-49.57
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676026	0	36	-1.0	-54.02	339.95	5.24	-48.78
CCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676027	0	37	-1.0	-53.21	323.24	5.22	-47.99
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=CC=C2C=C1	REAL300007676028	0	40	-1.0	-51.44	366.58	6.66	-44.78
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676029	0	38	-1.0	-46.73	350.36	6.10	-40.63
O=C([O-])C(NS(=O)(=O)CCOCC1CC1)C1=CC=C(F)C(F)=C1	REAL300007676030	0	39	-1.0	-42.31	354.68	4.65	-37.66
CC(COC1CCCC1)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676031	0	48	-1.0	-39.17	404.46	6.71	-32.46
CCOCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676032	0	41	-1.0	-54.66	360.04	4.60	-50.06
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676033	0	40	-1.0	-41.53	362.80	3.17	-38.36
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676034	0	41	-1.0	-53.52	359.69	7.46	-46.06
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676035	0	39	-1.0	-43.05	354.39	5.59	-37.46
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676036	0	39	-1.0	-51.06	364.66	2.96	-48.10
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1=CC=C(F)C(F)=C1	REAL300007676037	0	37	-1.0	-46.09	344.22	5.75	-40.34
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676038	0	39	-1.0	-50.30	351.95	5.48	-44.82
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676039	0	35	-1.0	-45.02	349.02	4.48	-40.54
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676040	0	35	-1.0	-49.55	343.89	4.21	-45.34
CC1(C)CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CC=C2O1	REAL300007676041	0	43	-1.0	-50.52	381.52	6.58	-43.94
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676042	0	36	-1.0	-44.02	340.90	6.48	-37.54
CCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676043	0	38	-1.0	-42.58	347.96	6.83	-35.75
CCC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676044	0	41	-1.0	-54.41	370.59	7.49	-46.92
O=C([O-])C(NS(=O)(=O)CCC1=CC=CS1)C1=CC=C(F)C(F)=C1	REAL300007676045	0	35	-1.0	-52.91	339.66	5.91	-47.00
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C	REAL300007676046	0	41	-1.0	-42.13	362.70	7.25	-34.88
CC1=NOC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676047	0	34	-1.0	-40.95	324.33	4.22	-36.73
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676048	0	39	-1.0	-58.56	367.79	0.09	-58.47
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)OC2=CC=C(F)C=C12	REAL300007676049	0	38	-1.0	-50.53	359.04	6.65	-43.88
O=C([O-])C(NS(=O)(=O)CCC1CCCO1)C1=CC=C(F)C(F)=C1	REAL300007676050	0	39	-1.0	-43.13	342.29	4.13	-39.00
O=C([O-])C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676051	0	43	-1.0	-42.17	381.69	6.67	-35.50
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1N(C)C	REAL300007676052	0	43	-1.0	-42.83	379.97	6.07	-36.76
O=C([O-])C(NS(=O)(=O)C1=C2OCCCN2N=C1)C1=CC=C(F)C(F)=C1	REAL300007676053	0	37	-1.0	-57.35	335.19	2.34	-55.01
O=C([O-])C(NS(=O)(=O)CCOCC1CCCC1)C1=CC=C(F)C(F)=C1	REAL300007676054	0	45	-1.0	-41.18	385.27	5.79	-35.39
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676055	0	44	-1.0	-50.27	376.86	5.78	-44.49
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C12	REAL300007676056	0	39	-1.0	-45.91	365.59	3.03	-42.88
CN1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CN=C21	REAL300007676057	0	37	-1.0	-43.31	349.09	4.56	-38.75
O=C([O-])C(NS(=O)(=O)C1=CN2CCCCC2=N1)C1=CC=C(F)C(F)=C1	REAL300007676058	0	39	-1.0	-51.97	350.85	5.45	-46.52
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1F	REAL300007676059	0	39	-1.0	-49.31	354.69	5.60	-43.71
CC1(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CCCCC1	REAL300007676060	0	44	-1.0	-53.28	353.76	6.85	-46.43
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C1=CC=C(F)C(F)=C1	REAL300007676061	0	41	-1.0	-43.48	366.57	6.83	-36.65
CN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676062	0	31	-1.0	-43.12	299.55	1.83	-41.29
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(F)=C1	REAL300007676063	0	38	-1.0	-43.98	351.02	6.75	-37.23
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676064	0	44	0.0	-81.68	382.49	7.23	-74.45
O=C([O-])C(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C1=CC=C(F)C(F)=C1	REAL300007676065	0	45	-1.0	-54.46	392.68	8.63	-45.83
CC(C)(C)C1=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=NO1	REAL300007676066	0	43	-1.0	-42.91	382.42	6.05	-36.86
O=C([O-])C(NS(=O)(=O)CCC1CCC1)C1=CC=C(F)C(F)=C1	REAL300007676067	0	38	-1.0	-53.24	337.76	5.88	-47.36
O=C([O-])C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C1=CC=C(F)C(F)=C1	REAL300007676068	0	41	-1.0	-45.68	361.69	2.50	-43.18
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1=CC=C(F)C(F)=C1	REAL300007676069	0	35	-1.0	-42.75	339.21	5.85	-36.90
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)SC=N1	REAL300007676070	0	37	-1.0	-53.39	353.40	4.56	-48.83
COCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300007676071	0	36	-1.0	-42.76	329.54	4.46	-38.30
O=C([O-])C(NS(=O)(=O)CC12CCC(CC1)C2)C1=CC=C(F)C(F)=C1	REAL300007676072	0	42	-1.0	-39.38	349.19	6.72	-32.66
O=C([O-])C(NS(=O)(=O)CCC1CCOC1)C1=CC=C(F)C(F)=C1	REAL300007676073	0	39	-1.0	-54.88	343.47	3.81	-51.07
CC(C)(CCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)S(C)(=O)=O	REAL300007676074	0	43	-1.0	-64.80	377.41	2.42	-62.38
O=C([O-])C(NS(=O)(=O)CC1CCCCC1(F)F)C1=CC=C(F)C(F)=C1	REAL300007676075	0	41	-1.0	-51.36	357.30	6.52	-44.84
O=C([O-])C(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=CC=C(F)C(F)=C1	REAL300007676076	0	39	-1.0	-40.92	350.70	7.40	-33.52
CN1C=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300007676077	0	32	-1.0	-55.30	309.99	2.84	-52.46
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC=C(F)C(F)=C1	REAL300007676078	0	32	-1.0	-38.37	319.77	5.89	-32.48
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=CC=C(F)C(F)=C1	REAL300007676079	0	34	-1.0	-37.92	331.27	6.04	-31.88
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C1=CC=C(F)C(F)=C1	REAL300007676080	0	38	-1.0	-52.51	350.19	7.57	-44.94
O=C([O-])C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC=C(F)C(F)=C1	REAL300007676081	0	34	-1.0	-40.74	331.26	6.04	-34.70
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676082	0	37	-1.0	-54.43	348.40	6.92	-47.51
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676083	0	36	-1.0	-42.50	334.56	4.69	-37.81
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676084	0	34	-1.0	-58.01	325.52	6.90	-51.11
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676085	0	35	-1.0	-42.85	326.47	6.08	-36.77
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676086	0	39	-1.0	-50.37	355.65	5.51	-44.86
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C	REAL300007676087	0	44	-1.0	-50.61	365.06	7.90	-42.71
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300007676088	0	41	-1.0	-42.72	353.31	7.66	-35.06
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676089	0	47	-1.0	-52.47	396.12	8.61	-43.86
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300007676090	0	35	-1.0	-39.14	341.76	6.37	-32.77
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676091	0	35	-1.0	-42.75	326.48	6.08	-36.67
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC=C(F)C(F)=C1	REAL300007676092	0	36	-1.0	-43.63	334.94	6.57	-37.06
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C1=CC=C(F)C(F)=C1	REAL300007676093	0	35	-1.0	-53.75	330.25	6.91	-46.84
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300007676094	0	32	-1.0	-40.29	321.82	5.93	-34.36
CC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676095	0	37	-1.0	-43.46	346.31	5.81	-37.65
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676096	0	38	-1.0	-52.17	341.35	6.95	-45.22
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C	REAL300007676097	0	38	-1.0	-43.72	343.50	6.61	-37.11
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300007676098	0	38	-1.0	-51.89	342.42	6.80	-45.09
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676099	0	44	-1.0	-41.67	379.24	7.69	-33.98
CC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676100	0	41	-1.0	-42.59	365.29	7.33	-35.26
CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676101	0	34	-1.0	-53.13	310.78	4.60	-48.53
CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676102	0	41	-1.0	-41.03	367.43	7.59	-33.44
COC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676103	0	36	-1.0	-45.01	333.35	5.20	-39.81
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1)C1=CC=C(F)C(F)=C1	REAL300007676104	0	35	-1.0	-54.82	327.93	6.02	-48.80
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1C	REAL300007676105	0	47	-1.0	-51.26	378.09	8.39	-42.87
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676106	0	41	-1.0	-42.53	367.88	5.36	-37.17
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1[N+](=O)[O-]	REAL300007676107	0	37	-1.0	-41.62	347.26	6.56	-35.06
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300007676108	0	35	-1.0	-37.93	341.86	6.39	-31.54
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676109	0	42	-1.0	-51.97	367.04	7.79	-44.18
COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676110	0	40	-1.0	-57.19	363.25	4.42	-52.77
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC	REAL300007676111	0	40	-1.0	-43.47	361.76	4.57	-38.90
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676112	0	39	-1.0	-51.97	349.62	7.23	-44.74
CC1=NOC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676113	0	34	-1.0	-42.18	318.15	4.37	-37.81
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1=CC=C(F)C(F)=C1	REAL300007676114	0	40	-1.0	-51.21	359.99	7.75	-43.46
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676115	0	37	-1.0	-50.69	340.01	5.18	-45.51
CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676116	0	47	-1.0	-42.06	408.52	8.90	-33.16
CC1=CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=C2N=C1	REAL300007676117	0	40	-1.0	-59.36	366.62	6.65	-52.71
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676118	0	36	-1.0	-50.61	350.29	5.67	-44.94
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C2=CC=CN=C12	REAL300007676119	0	40	-1.0	-52.14	361.76	6.65	-45.49
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C1=CC=C(F)C(F)=C1	REAL300007676120	0	38	-1.0	-54.87	346.51	7.71	-47.16
CC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676121	0	35	-1.0	-51.68	326.57	6.32	-45.36
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C1=CC=C(F)C(F)=C1	REAL300007676122	0	33	-1.0	-54.60	330.03	3.70	-50.90
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676123	0	36	-1.0	-53.73	350.50	5.65	-48.08
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676124	0	36	-1.0	-42.95	332.55	4.67	-38.28
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676125	0	47	-1.0	-42.92	395.49	8.19	-34.73
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1Cl	REAL300007676126	0	35	-1.0	-40.52	338.50	6.49	-34.03
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676127	0	42	-1.0	-43.29	374.34	6.24	-37.05
CCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676128	0	38	-1.0	-52.10	336.60	7.17	-44.93
CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676129	0	35	-1.0	-52.27	320.18	6.26	-46.01
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN1C	REAL300007676130	0	35	-1.0	-49.35	328.24	4.31	-45.04
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NON=C21)C1=CC=C(F)C(F)=C1	REAL300007676131	0	33	-1.0	-59.49	314.14	4.16	-55.33
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C1=CC=C(F)C(F)=C1	REAL300007676132	0	37	-1.0	-49.47	342.64	6.02	-43.45
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1F	REAL300007676133	0	36	-1.0	-42.43	340.77	4.78	-37.65
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1F	REAL300007676134	0	35	-1.0	-41.16	329.76	6.08	-35.08
CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676135	0	32	-1.0	-59.73	309.30	4.45	-55.28
O=C([O-])C(NS(=O)(=O)C1=CC=CN=C1)C1=CC=C(F)C(F)=C1	REAL300007676136	0	31	-1.0	-51.12	299.36	3.48	-47.64
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676137	0	37	-1.0	-46.35	348.16	6.94	-39.41
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676138	0	37	-1.0	-48.94	343.73	6.69	-42.25
CC(C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676139	0	44	-1.0	-50.97	385.27	8.01	-42.96
COCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676140	0	42	-1.0	-42.54	381.63	5.90	-36.64
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676141	0	35	-1.0	-51.13	336.90	6.77	-44.36
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C	REAL300007676142	0	42	-1.0	-50.12	377.90	6.20	-43.92
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676143	0	45	-1.0	-42.35	398.01	7.11	-35.24
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676144	0	42	-1.0	-41.15	375.88	6.39	-34.76
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1Cl	REAL300007676145	0	36	-1.0	-40.84	348.55	5.23	-35.61
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C	REAL300007676146	0	39	-1.0	-43.43	354.64	5.46	-37.97
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1OC(C)C	REAL300007676147	0	45	-1.0	-42.23	392.41	6.96	-35.27
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300007676148	0	39	-1.0	-50.53	349.52	5.58	-44.95
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1F)C1=CC=C(F)C(F)=C1	REAL300007676149	0	35	-1.0	-45.20	332.71	6.09	-39.11
CC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300007676150	0	34	-1.0	-49.61	329.22	3.96	-45.65
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=CC=C12)C1=CC=C(F)C(F)=C1	REAL300007676151	0	35	-1.0	-50.73	342.02	6.69	-44.04
O=C([O-])C(NS(=O)(=O)CC1CCCC1)C1=CC=C(F)C(F)=C1	REAL300007676152	0	38	-1.0	-40.01	330.61	5.77	-34.24
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1F	REAL300007676153	0	36	-1.0	-41.08	340.78	4.78	-36.30
O=C([O-])C(NS(=O)(=O)C1=CSC=C1)C1=CC=C(F)C(F)=C1	REAL300007676154	0	29	-1.0	-47.83	295.67	4.24	-43.59
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN1C	REAL300007676155	0	40	-1.0	-52.84	368.84	3.00	-49.84
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300007676156	0	42	-1.0	-43.00	361.34	6.29	-36.71
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C	REAL300007676157	0	42	-1.0	-51.37	369.43	6.33	-45.04
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C2=CC=CN=C2C=C1	REAL300007676158	0	40	-1.0	-44.98	349.24	6.60	-38.38
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C1=CC=C(F)C(F)=C1	REAL300007676159	0	37	-1.0	-54.84	341.82	5.91	-48.93
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C([N+](=O)[O-])=N1	REAL300007676160	0	37	-1.0	-53.88	355.33	6.26	-47.62
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C([N+](=O)[O-])=N1	REAL300007676160	1	36	-2.0	-127.61	347.98	6.65	-120.96
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676161	0	40	-1.0	-48.13	368.16	6.67	-41.46
O=C([O-])C(NS(=O)(=O)C1=CN=C2NC=CC=C12)C1=CC=C(F)C(F)=C1	REAL300007676162	0	35	-1.0	-67.05	333.49	4.57	-62.48
CC1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676163	0	38	-1.0	-42.74	348.80	6.73	-36.01
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(F)=C1)C1=CC=C(F)C(F)=C1	REAL300007676164	0	35	-1.0	-40.36	330.71	6.11	-34.25
CC1=CC=CC=C1CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676165	0	38	-1.0	-54.63	343.74	6.62	-48.01
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676166	0	42	-1.0	-44.58	374.27	6.79	-37.79
O=C([O-])C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=CC=C(F)C(F)=C1	REAL300007676167	0	37	-1.0	-47.89	351.30	5.55	-42.34
O=C([O-])C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676168	0	39	-1.0	-46.23	363.61	6.50	-39.73
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1=CC=C(F)C(F)=C1	REAL300007676169	0	42	-1.0	-41.96	355.29	7.93	-34.03
O=C([O-])C(NS(=O)(=O)C1=CC=C2COCC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676170	0	37	-1.0	-42.40	341.06	4.70	-37.70
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1=CC=C(F)C(F)=C1	REAL300007676171	0	40	-1.0	-60.22	367.58	6.60	-53.62
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=CC=C(F)C(F)=C1	REAL300007676172	0	37	-1.0	-42.69	351.31	5.55	-37.14
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300007676173	0	42	-1.0	-50.41	371.55	6.48	-43.93
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C1=CC=C(F)C(F)=C1	REAL300007676174	0	36	-1.0	-53.19	343.54	5.39	-47.80
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676175	0	36	-1.0	-42.23	345.26	6.41	-35.82
CCCCCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676176	0	43	-1.0	-53.34	375.51	6.91	-46.43
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)N=C1C	REAL300007676177	0	38	-1.0	-51.22	350.64	5.21	-46.01
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C1=CC=C(F)C(F)=C1	REAL300007676178	0	38	-1.0	-46.34	348.19	5.08	-41.26
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1=CC=C(F)C(F)=C1	REAL300007676179	0	37	-1.0	-51.80	341.54	5.80	-46.00
O=C([O-])C(NS(=O)(=O)CC1CCCO1)C1=CC=C(F)C(F)=C1	REAL300007676180	0	36	-1.0	-41.19	321.96	3.70	-37.49
O=C([O-])C(NS(=O)(=O)CC1CCCCO1)C1=CC=C(F)C(F)=C1	REAL300007676181	0	39	-1.0	-56.74	342.07	4.33	-52.41
O=C([O-])C(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676182	0	41	-1.0	-52.86	369.09	6.90	-45.96
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C12	REAL300007676183	0	40	-1.0	-50.16	370.66	5.02	-45.14
COCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676184	0	39	-1.0	-50.94	359.15	5.06	-45.88
CC1(C)CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=C2O1	REAL300007676185	0	43	-1.0	-57.14	383.32	6.57	-50.57
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676186	0	35	-1.0	-43.89	329.12	3.94	-39.95
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Cl)C1=CC=C(F)C(F)=C1	REAL300007676187	0	35	-1.0	-43.67	340.98	6.50	-37.17
CN1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676188	0	32	-1.0	-48.62	306.89	2.93	-45.69
O=C([O-])C(NS(=O)(=O)CC1CCOC1)C1=CC=C(F)C(F)=C1	REAL300007676189	0	36	-1.0	-55.01	320.27	3.24	-51.77
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CC=C2O1	REAL300007676190	0	40	-1.0	-50.38	361.10	5.94	-44.44
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676191	0	44	-1.0	-50.40	360.33	8.57	-41.83
CCCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676192	0	37	-1.0	-53.36	332.51	5.34	-48.02
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(F)(F)F)=N1	REAL300007676193	0	35	-1.0	-51.66	345.45	4.27	-47.39
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(F)(F)F)=N1	REAL300007676193	1	34	-2.0	-124.09	338.22	4.56	-119.53
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C(C)O1	REAL300007676194	0	35	-1.0	-51.18	330.03	4.91	-46.27
CC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676195	0	32	-1.0	-50.84	318.42	5.02	-45.82
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C1=CC=C(F)C(F)=C1	REAL300007676196	0	35	-1.0	-46.89	332.79	5.78	-41.11
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676197	0	35	-1.0	-42.56	329.09	4.03	-38.53
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676198	0	35	-1.0	-48.68	331.54	1.96	-46.72
O=C([O-])C(NS(=O)(=O)C1=CC=CO1)C1=CC=C(F)C(F)=C1	REAL300007676199	0	29	-1.0	-51.95	287.97	3.37	-48.58
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCN12)C1=CC=C(F)C(F)=C1	REAL300007676200	0	36	-1.0	-47.10	332.26	4.85	-42.25
O=C([O-])C(NS(=O)(=O)C1=COC=C1)C1=CC=C(F)C(F)=C1	REAL300007676201	0	29	-1.0	-50.24	287.67	3.21	-47.03
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)SC=C1	REAL300007676202	0	32	-1.0	-52.56	312.96	4.88	-47.68
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676203	0	40	-1.0	-51.29	357.78	5.95	-45.34
O=C([O-])C(NS(=O)(=O)C1=CNC=N1)C1=CC=C(F)C(F)=C1	REAL300007676204	0	29	-1.0	-56.06	286.11	2.72	-53.34
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1[N+](=O)[O-]	REAL300007676205	0	37	-1.0	-39.46	349.30	6.59	-32.87
O=C([O-])C(NS(=O)(=O)CCCF)C1=CC=C(F)C(F)=C1	REAL300007676206	0	31	-1.0	-54.74	295.87	3.96	-50.78
O=C([O-])C(NS(=O)(=O)CCCCF)C1=CC=C(F)C(F)=C1	REAL300007676207	0	34	-1.0	-53.82	317.61	4.70	-49.12
CC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676208	0	35	-1.0	-50.95	330.56	3.63	-47.32
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300007676209	0	32	-1.0	-44.81	309.66	4.24	-40.57
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)N(C)N=C1	REAL300007676210	0	35	-1.0	-46.99	318.38	3.70	-43.29
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676211	0	34	-1.0	-49.79	336.36	4.78	-45.01
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676212	0	40	-1.0	-44.48	356.15	5.80	-38.68
C=C(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676213	0	32	-1.0	-53.24	302.24	4.23	-49.01
CC1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C2C=C1	REAL300007676214	0	41	-1.0	-52.20	371.56	8.22	-43.98
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)SC=C1	REAL300007676215	0	33	-1.0	-56.99	325.36	4.35	-52.64
C=CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676216	0	35	-1.0	-53.71	323.82	5.13	-48.58
CN(C)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676217	0	40	-1.0	-43.70	355.58	5.79	-37.91
O=C([O-])C(NS(=O)(=O)CC1CCC1)C1=CC=C(F)C(F)=C1	REAL300007676218	0	35	-1.0	-53.96	316.26	5.10	-48.86
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCC2)C1=CC=C(F)C(F)=C1	REAL300007676219	0	37	-1.0	-47.67	341.41	5.21	-42.46
O=C([O-])C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1=CC=C(F)C(F)=C1	REAL300007676220	0	37	-1.0	-45.60	350.75	5.40	-40.20
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCOC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676221	0	37	-1.0	-43.79	340.89	5.24	-38.55
O=C([O-])C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C1=CC=C(F)C(F)=C1	REAL300007676222	0	38	-1.0	-52.68	366.16	7.33	-45.35
CN1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C21	REAL300007676223	0	44	-1.0	-46.26	379.28	5.97	-40.29
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676224	0	34	-1.0	-47.44	339.06	4.49	-42.95
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676225	0	40	-1.0	-48.21	356.21	5.92	-42.29
COC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676226	0	42	-1.0	-54.16	378.93	6.11	-48.05
COC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676227	0	35	-1.0	-49.61	328.70	2.78	-46.83
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300007676228	0	41	-1.0	-51.56	378.08	6.99	-44.57
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300007676229	0	39	-1.0	-42.78	354.29	7.50	-35.28
COC1=CC(OC)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676230	0	40	-1.0	-45.45	363.72	4.03	-41.42
O=C([O-])C(NS(=O)(=O)CCC1CCCCC1)C1=CC=C(F)C(F)=C1	REAL300007676231	0	44	-1.0	-52.76	369.97	7.01	-45.75
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)OCO2	REAL300007676232	0	38	-1.0	-51.06	346.04	4.94	-46.12
O=C([O-])C(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C1=CC=C(F)C(F)=C1	REAL300007676233	0	35	-1.0	-55.65	333.42	5.66	-49.99
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1Cl	REAL300007676234	0	36	-1.0	-39.84	348.56	5.23	-34.61
O=C([O-])C(NS(=O)(=O)CCC1CCCC1)C1=CC=C(F)C(F)=C1	REAL300007676235	0	41	-1.0	-40.27	353.19	6.43	-33.84
CC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300007676236	0	32	-1.0	-51.96	289.45	4.14	-47.82
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C2=NC=CC=C2C=C1	REAL300007676237	0	40	-1.0	-60.61	353.22	6.87	-53.74
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1CC	REAL300007676238	0	44	-1.0	-43.74	382.14	7.98	-35.76
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676239	0	42	-1.0	-54.84	362.05	6.86	-47.98
CC1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676240	0	35	-1.0	-51.94	338.00	5.70	-46.24
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676241	0	33	-1.0	-39.94	328.22	3.27	-36.67
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300007676242	0	31	-1.0	-49.60	313.55	3.19	-46.41
CCC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300007676243	0	34	-1.0	-49.13	335.01	3.94	-45.19
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(N)=NO1	REAL300007676244	0	33	-1.0	-42.88	312.62	2.78	-40.10
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(N)=NO1	REAL300007676244	1	32	-2.0	-115.00	307.10	3.07	-111.93
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676245	0	39	-1.0	-52.38	353.68	4.99	-47.39
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300007676246	0	35	-1.0	-53.07	335.11	5.65	-47.42
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1=CC=C(F)C(F)=C1	REAL300007676247	0	38	-1.0	-59.38	354.36	6.83	-52.55
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C1=CC=C(F)C(F)=C1	REAL300007676248	0	35	-1.0	-45.55	330.43	4.02	-41.53
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC(C)=C1F	REAL300007676249	0	38	-1.0	-40.61	352.10	6.74	-33.87
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C1=CC=C(F)C(F)=C1	REAL300007676250	0	39	-1.0	-57.99	360.29	5.03	-52.96
O=C([O-])C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C1=CC=C(F)C(F)=C1	REAL300007676251	0	34	-1.0	-56.95	336.70	4.77	-52.18
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676252	0	34	-1.0	-50.77	320.70	4.11	-46.66
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CC1	REAL300007676253	0	39	-1.0	-40.14	342.41	5.07	-35.07
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C1=CC=C(F)C(F)=C1	REAL300007676254	0	35	-1.0	-53.40	344.67	6.55	-46.85
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1Cl	REAL300007676255	0	35	-1.0	-40.06	340.54	6.51	-33.55
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1=CC=C(F)C(F)=C1	REAL300007676256	0	38	-1.0	-60.16	352.17	6.30	-53.86
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C1=CC=C(F)C(F)=C1	REAL300007676257	0	40	-1.0	-56.09	357.73	6.54	-49.55
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C1=CC=C(F)C(F)=C1	REAL300007676258	0	41	-1.0	-53.96	367.62	5.68	-48.28
O=C([O-])C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1=CC=C(F)C(F)=C1	REAL300007676259	0	35	-1.0	-40.60	346.13	6.60	-34.00
CCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300007676260	0	35	-1.0	-40.66	314.66	5.48	-35.18
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676261	0	45	-1.0	-43.29	393.08	7.03	-36.26
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCC1	REAL300007676262	0	45	-1.0	-53.80	378.12	5.43	-48.37
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCCC1	REAL300007676263	0	48	-1.0	-41.68	397.10	6.12	-35.56
CCOC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CC1	REAL300007676264	0	42	-1.0	-41.75	367.73	5.67	-36.08
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN1CC1CC1	REAL300007676265	0	45	-1.0	-53.31	398.22	7.85	-45.46
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C1=CC=C(F)C(F)=C1	REAL300007676266	0	35	-1.0	-49.30	344.71	4.87	-44.43
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676267	0	39	-1.0	-48.46	348.14	5.11	-43.35
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676268	0	35	-1.0	-44.60	346.46	3.98	-40.62
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C(C)C=C1OC	REAL300007676269	0	45	-1.0	-51.26	391.22	7.06	-44.20
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300007676270	0	33	-2.0	-144.73	327.91	4.64	-140.09
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300007676270	1	34	-1.0	-62.48	328.80	4.21	-58.27
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C2=CC=CC=C2C=C1	REAL300007676271	0	41	-1.0	-56.39	354.35	8.37	-48.02
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676272	0	41	-1.0	-48.06	373.54	3.84	-44.22
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676273	0	36	-1.0	-51.71	334.29	5.53	-46.18
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676274	0	42	-1.0	-48.32	361.40	5.34	-42.98
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(C)(C)C)=N1	REAL300007676275	0	44	-1.0	-53.65	378.04	5.74	-47.91
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676276	0	42	-1.0	-43.81	372.48	5.75	-38.06
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676277	0	35	-1.0	-44.02	337.27	4.18	-39.84
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676278	0	39	-1.0	-44.87	361.96	5.49	-39.38
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676279	0	42	-1.0	-40.85	380.25	8.15	-32.70
CCC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676280	0	38	-1.0	-51.09	351.39	4.41	-46.68
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300007676281	0	36	-1.0	-41.57	353.70	7.11	-34.46
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676282	0	38	-1.0	-46.55	347.86	7.44	-39.11
O=C([O-])C(NS(=O)(=O)CCCC1CC1)C1=CC=C(F)C(F)=C1	REAL300007676283	0	38	-1.0	-39.74	342.09	6.17	-33.57
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C1=CC=C(F)C(F)=C1	REAL300007676284	0	36	-1.0	-52.35	351.44	6.98	-45.37
CCCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676285	0	41	-1.0	-52.21	358.21	7.93	-44.28
COC1=NC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676286	0	35	-1.0	-53.24	331.45	2.54	-50.70
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1=CC=C(F)C(F)=C1	REAL300007676287	0	37	-1.0	-55.63	341.64	5.89	-49.74
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)N1C	REAL300007676288	0	35	-1.0	-51.21	324.00	4.39	-46.82
CC1=CSC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676289	0	35	-1.0	-47.99	326.66	5.96	-42.03
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676290	0	39	-1.0	-51.22	355.04	5.01	-46.21
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCC1)C1=CC=C(F)C(F)=C1	REAL300007676291	0	39	-1.0	-49.87	348.71	4.92	-44.95
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C1=CC=C(F)C(F)=C1	REAL300007676292	0	42	-1.0	-49.55	369.77	5.62	-43.93
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCCN12)C1=CC=C(F)C(F)=C1	REAL300007676293	0	39	-1.0	-47.64	346.61	5.51	-42.13
CC1CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=C2O1	REAL300007676294	0	40	-1.0	-57.22	363.00	5.95	-51.27
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300007676295	0	40	-1.0	-49.11	373.63	5.02	-44.09
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676296	0	37	-1.0	-61.76	346.55	4.90	-56.86
CCN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676297	0	34	-1.0	-45.97	321.01	2.64	-43.33
O=C([O-])C(NS(=O)(=O)C1=CC2=NON=C2C=C1)C1=CC=C(F)C(F)=C1	REAL300007676298	0	33	-1.0	-39.82	319.95	4.19	-35.63
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1=CC=C(F)C(F)=C1	REAL300007676299	0	35	-1.0	-52.68	343.71	6.76	-45.92
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676300	0	39	-1.0	-45.82	352.92	4.97	-40.85
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1F	REAL300007676301	0	41	-1.0	-40.39	354.65	7.59	-32.80
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1OC	REAL300007676302	0	40	-1.0	-54.42	357.28	5.30	-49.12
O=C([O-])C(NS(=O)(=O)C1=COC2=CC=CC=C12)C1=CC=C(F)C(F)=C1	REAL300007676303	0	35	-1.0	-51.10	335.26	5.63	-45.47
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C2CCCC2)=N1	REAL300007676304	0	45	-1.0	-51.42	394.71	6.25	-45.17
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676305	0	44	-1.0	-49.72	381.00	5.81	-43.91
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=N1	REAL300007676306	0	44	-1.0	-50.07	395.64	6.05	-44.02
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C2CC2)=N1	REAL300007676307	0	39	-1.0	-45.94	361.30	5.29	-40.65
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300007676308	0	36	-1.0	-52.23	343.30	4.90	-47.33
CN1N=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=CC=C21	REAL300007676309	0	37	-1.0	-61.85	350.04	3.75	-58.10
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C2CCC2)=N1	REAL300007676310	0	42	-1.0	-51.35	377.52	5.74	-45.61
O=C([O-])C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676311	0	42	-1.0	-44.75	377.03	6.02	-38.73
O=C([O-])C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C1=CC=C(F)C(F)=C1	REAL300007676312	0	36	-1.0	-54.19	343.26	6.53	-47.66
CCCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676313	0	41	-1.0	-49.82	368.47	7.54	-42.28
CN1N=C2CCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676314	0	39	-1.0	-49.40	350.31	4.82	-44.58
CC1=CC=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676315	0	38	-1.0	-41.81	331.95	7.01	-34.80
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676316	0	41	-1.0	-50.56	348.47	4.72	-45.84
CC(C)(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676317	0	41	-1.0	-43.68	369.24	5.13	-38.55
O=C([O-])C(NS(=O)(=O)C1=CNN=C1C1CCC1)C1=CC=C(F)C(F)=C1	REAL300007676318	0	39	-1.0	-50.10	355.18	4.41	-45.69
CC1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676319	0	35	-1.0	-47.58	327.03	3.57	-44.01
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C	REAL300007676320	0	38	-1.0	-52.36	337.22	6.79	-45.57
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676321	0	43	-1.0	-54.69	388.65	7.37	-47.32
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1=CC=C(F)C(F)=C1	REAL300007676322	0	43	-1.0	-52.32	374.21	8.41	-43.91
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C1=CC=C(F)C(F)=C1	REAL300007676323	0	39	-1.0	-51.23	353.29	7.43	-43.80
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=CS1	REAL300007676324	0	33	-1.0	-42.11	325.69	3.86	-38.25
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C1=CC=C(F)C(F)=C1	REAL300007676325	0	42	-1.0	-50.11	366.56	5.61	-44.50
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676326	0	41	-1.0	-47.50	364.74	5.26	-42.24
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300007676327	0	35	-1.0	-43.24	329.11	5.00	-38.24
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676328	0	38	-1.0	-43.63	358.29	6.93	-36.70
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300007676329	0	36	-1.0	-43.22	342.29	4.95	-38.27
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300007676330	0	33	-1.0	-50.08	328.54	3.80	-46.28
O=C([O-])C(NS(=O)(=O)C1=CN(CCF)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676331	0	35	-1.0	-50.93	337.82	4.03	-46.90
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676332	0	42	-1.0	-50.90	381.24	6.00	-44.90
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300007676333	0	45	-1.0	-44.12	389.42	6.33	-37.79
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1CF)C1=CC=C(F)C(F)=C1	REAL300007676334	0	35	-1.0	-52.62	327.60	6.26	-46.36
CC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676335	0	34	-1.0	-50.55	320.81	4.14	-46.41
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C2=CC=CC=C12	REAL300007676336	0	41	-1.0	-54.71	363.99	8.27	-46.44
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C1=CC=C(F)C(F)=C1	REAL300007676337	0	36	-1.0	-50.87	343.61	6.62	-44.25
CCOCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676338	0	38	-1.0	-54.62	344.81	3.86	-50.76
O=C([O-])C(NS(=O)(=O)CCC1NC(=O)NC1=O)C1=CC=C(F)C(F)=C1	REAL300007676339	0	37	-1.0	-60.41	347.15	-0.71	-61.12
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CC=CN21)C1=CC=C(F)C(F)=C1	REAL300007676340	0	35	-1.0	-55.24	326.22	5.45	-49.79
O=C([O-])C(NS(=O)(=O)C1CCC(F)(F)CC1)C1=CC=C(F)C(F)=C1	REAL300007676341	0	38	-1.0	-40.34	339.76	5.85	-34.49
O=C([O-])C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C1=CC=C(F)C(F)=C1	REAL300007676342	0	34	-1.0	-45.15	336.02	4.82	-40.33
O=C([O-])C(NS(=O)(=O)CCOC1CCOC1)C1=CC=C(F)C(F)=C1	REAL300007676343	0	40	-1.0	-41.41	357.30	2.56	-38.85
O=C([O-])C(NS(=O)(=O)CC1COCCO1)C1=CC=C(F)C(F)=C1	REAL300007676344	0	37	-1.0	-56.80	332.53	2.68	-54.12
O=C([O-])C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C1=CC=C(F)C(F)=C1	REAL300007676345	0	49	-1.0	-52.20	380.94	8.22	-43.98
CC1(C)COC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300007676346	0	42	-1.0	-57.14	364.52	4.52	-52.62
O=C([O-])C(NS(=O)(=O)CC1CS(=O)(=O)C1)C1=CC=C(F)C(F)=C1	REAL300007676347	0	35	-1.0	-61.20	334.92	1.02	-60.18
CC(C)(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C(C)(F)F	REAL300007676348	0	40	-1.0	-51.69	343.16	5.77	-45.92
CS(=O)(=O)CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676349	0	40	-1.0	-63.24	374.65	2.12	-61.12
CC1(C)CCC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)OC1	REAL300007676350	0	45	-1.0	-55.68	378.44	5.68	-50.00
O=C([O-])C(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C1=CC=C(F)C(F)=C1	REAL300007676351	0	42	-1.0	-50.76	374.68	7.62	-43.14
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C1=CC=C(F)C(F)=C1	REAL300007676352	0	36	-1.0	-46.56	348.52	4.37	-42.19
O=C([O-])C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C1=CC=C(F)C(F)=C1	REAL300007676353	0	41	-1.0	-55.08	356.54	2.77	-52.31
COCCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300007676354	0	39	-1.0	-55.14	336.91	3.95	-51.19
CCN1N=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300007676355	0	34	-1.0	-51.38	326.00	2.22	-49.16
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300007676355	1	33	-2.0	-120.60	325.39	1.97	-118.63
O=C([O-])C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C1=CC=C(F)C(F)=C1	REAL300007676356	0	45	-1.0	-39.10	368.11	7.32	-31.78
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C1=CC=C(F)C(F)=C1	REAL300007676357	0	36	-1.0	-51.57	348.58	6.67	-44.90
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007676358	0	43	-1.0	-52.63	377.89	6.33	-46.30
CC1=COC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676359	0	32	-1.0	-51.54	309.88	4.05	-47.49
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1OC	REAL300007676360	0	37	-1.0	-52.96	350.34	3.69	-49.27
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676361	0	38	-1.0	-49.86	348.48	5.23	-44.63
CN1C=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CC=C21	REAL300007676362	0	39	-1.0	-48.76	358.78	7.17	-41.59
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676363	0	38	-1.0	-59.46	342.19	7.34	-52.12
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676364	0	43	-1.0	-43.40	386.68	6.99	-36.41
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C2CC2)=N1	REAL300007676365	0	42	-1.0	-46.51	382.98	6.14	-40.37
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C2=NSN=C2C=C1	REAL300007676366	0	36	-1.0	-59.44	343.55	4.73	-54.71
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676367	0	45	-1.0	-47.82	391.86	6.52	-41.30
O=C([O-])C(NS(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(F)C(F)=C1	REAL300007676368	0	29	-1.0	-40.94	303.77	3.91	-37.03
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(F)C(F)=C1	REAL300007676368	1	28	-2.0	-124.49	298.35	4.23	-120.26
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CS1)C1=CC=C(F)C(F)=C1	REAL300007676369	0	29	-1.0	-47.93	313.90	4.84	-43.09
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676370	0	40	-1.0	-48.03	353.10	2.92	-45.11
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1CC1)C1=CC=C(F)C(F)=C1	REAL300007676371	0	39	-1.0	-41.87	345.22	7.54	-34.33
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676372	0	35	-1.0	-41.11	345.76	3.07	-38.04
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C	REAL300007676373	0	38	-1.0	-48.22	351.71	2.71	-45.51
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676374	0	41	-1.0	-43.57	370.45	5.48	-38.09
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676375	0	41	-1.0	-50.18	371.33	5.01	-45.17
CC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007676376	0	38	-1.0	-47.69	346.77	4.58	-43.11
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CC1CC1)C1=CC=C(F)C(F)=C1	REAL300007676377	0	39	-1.0	-47.34	354.04	5.53	-41.81
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C1=CC=C(F)C(F)=C1	REAL300007676378	0	39	-1.0	-51.09	356.22	6.62	-44.47
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=NN1C(C)C	REAL300007676379	0	41	-1.0	-52.74	368.72	5.16	-47.58
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C2=NC=CC=C12	REAL300007676380	0	40	-1.0	-59.79	363.02	6.54	-53.25
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC=CC=C12)C1=CC=C(F)C(F)=C1	REAL300007676381	0	36	-1.0	-54.08	339.21	5.30	-48.78
O=C([O-])C(NS(=O)(=O)C1=CN=CS1)C1=CC=C(F)C(F)=C1	REAL300007676382	0	28	-1.0	-39.71	291.32	2.56	-37.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007676383	0	45	-1.0	-56.19	395.18	7.35	-48.84
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676384	0	32	-1.0	-51.78	313.98	5.77	-46.01
O=C([O-])C(NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676385	0	32	-1.0	-40.61	321.38	5.92	-34.69
CC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676386	0	37	-1.0	-55.07	355.47	6.15	-48.92
O=C([O-])C(NS(=O)(=O)C1=CC=CS1)C1=CC=C(Cl)C(F)=C1	REAL300007676387	0	29	-1.0	-51.64	306.91	4.77	-46.87
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676388	0	44	-1.0	-50.50	392.64	8.36	-42.14
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300007676389	0	32	-1.0	-51.98	328.71	5.56	-46.42
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)S1)C1=CC=C(Cl)C(F)=C1	REAL300007676390	0	29	-1.0	-48.26	323.91	5.39	-42.87
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676391	0	39	-1.0	-55.63	365.08	6.26	-49.37
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676392	0	35	-1.0	-48.13	346.79	7.21	-40.92
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676393	0	32	-1.0	-52.33	319.59	3.48	-48.85
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676394	0	38	-1.0	-49.81	349.33	4.72	-45.09
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676395	0	38	-1.0	-41.18	355.82	7.26	-33.92
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676396	0	35	-1.0	-42.25	342.79	6.59	-35.66
O=C([O-])C(NS(=O)(=O)CCC1CC1)C1=CC=C(Cl)C(F)=C1	REAL300007676397	0	35	-1.0	-52.70	330.78	5.83	-46.87
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1=CC=C(Cl)C(F)=C1	REAL300007676398	0	38	-1.0	-50.73	361.09	6.29	-44.44
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676399	0	39	-1.0	-42.58	370.02	5.57	-37.01
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676400	0	38	-1.0	-47.64	363.05	3.39	-44.25
CS(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676401	0	37	-1.0	-67.30	363.04	1.78	-65.52
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676402	0	37	-1.0	-51.41	355.10	6.11	-45.30
O=C([O-])C(NS(=O)(=O)CC1=NOC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676403	0	31	-1.0	-44.42	309.18	3.77	-40.65
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=NN1C	REAL300007676404	0	35	-1.0	-53.07	337.64	3.98	-49.09
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1C	REAL300007676405	0	41	-1.0	-51.62	370.54	5.57	-46.05
CC(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676406	0	38	-1.0	-45.66	359.72	4.95	-40.71
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676407	0	41	-1.0	-58.84	379.72	7.06	-51.78
CC(C)N1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676408	0	38	-1.0	-58.38	360.61	6.19	-52.19
CC(C)C1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=CN1	REAL300007676409	0	38	-1.0	-52.41	353.21	4.79	-47.62
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676410	0	44	-1.0	-54.05	367.13	8.16	-45.89
CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676411	0	35	-1.0	-49.02	336.25	6.62	-42.40
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676412	0	35	-1.0	-41.92	345.12	6.69	-35.23
COCCC(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676413	0	38	-1.0	-53.04	347.80	4.19	-48.85
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676414	0	36	-1.0	-54.27	350.07	5.65	-48.62
CCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676415	0	37	-1.0	-53.03	333.13	5.66	-47.37
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676416	0	38	-1.0	-46.76	360.25	6.55	-40.21
O=C([O-])C(NS(=O)(=O)CCOCC1CC1)C1=CC=C(Cl)C(F)=C1	REAL300007676417	0	39	-1.0	-41.21	361.48	5.08	-36.13
CCOCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676418	0	41	-1.0	-54.31	369.93	5.05	-49.26
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676419	0	41	-1.0	-53.37	369.58	7.91	-45.46
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676420	0	39	-1.0	-42.98	364.29	6.04	-36.94
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676421	0	39	-1.0	-51.06	374.56	3.41	-47.65
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676422	0	37	-1.0	-46.07	354.11	6.20	-39.87
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676423	0	39	-1.0	-50.20	361.84	5.93	-44.27
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676424	0	35	-1.0	-49.43	354.02	4.63	-44.80
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676425	0	36	-1.0	-44.07	350.79	6.92	-37.15
CCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676426	0	38	-1.0	-41.38	355.82	7.25	-34.13
CCC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676427	0	41	-1.0	-54.15	380.48	7.94	-46.21
O=C([O-])C(NS(=O)(=O)CCC1=CC=CS1)C1=CC=C(Cl)C(F)=C1	REAL300007676428	0	35	-1.0	-52.38	349.31	6.38	-46.00
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1C	REAL300007676429	0	41	-1.0	-43.09	375.69	7.73	-35.36
CC1=NOC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676430	0	34	-1.0	-39.92	331.11	4.65	-35.27
O=C([O-])C(NS(=O)(=O)CCC1CCCO1)C1=CC=C(Cl)C(F)=C1	REAL300007676431	0	39	-1.0	-43.16	352.19	4.58	-38.58
O=C([O-])C(NS(=O)(=O)C1=C2OCCCN2N=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676432	0	37	-1.0	-57.06	344.83	2.82	-54.24
O=C([O-])C(NS(=O)(=O)CCOCC1CCCC1)C1=CC=C(Cl)C(F)=C1	REAL300007676433	0	45	-1.0	-41.11	395.16	6.24	-34.87
CN1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C(F)=C3)=CN=C21	REAL300007676434	0	37	-1.0	-43.33	358.98	5.00	-38.33
O=C([O-])C(NS(=O)(=O)C1=CN2CCCCC2=N1)C1=CC=C(Cl)C(F)=C1	REAL300007676435	0	39	-1.0	-52.10	360.74	5.90	-46.20
CC1(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CCCCC1	REAL300007676436	0	44	-1.0	-53.11	363.66	7.29	-45.82
CN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676437	0	31	-1.0	-43.04	309.44	2.27	-40.77
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(F)=C1	REAL300007676438	0	38	-1.0	-44.06	360.90	7.20	-36.86
O=C([O-])C(NS(=O)(=O)CCC1CCC1)C1=CC=C(Cl)C(F)=C1	REAL300007676439	0	38	-1.0	-52.95	347.64	6.32	-46.63
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)SC=N1	REAL300007676440	0	37	-1.0	-53.09	363.29	5.00	-48.09
COCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300007676441	0	36	-1.0	-42.93	339.43	4.90	-38.03
O=C([O-])C(NS(=O)(=O)CC12CCC(CC1)C2)C1=CC=C(Cl)C(F)=C1	REAL300007676442	0	42	-1.0	-40.23	362.18	7.18	-33.05
O=C([O-])C(NS(=O)(=O)CCC1CCOC1)C1=CC=C(Cl)C(F)=C1	REAL300007676443	0	39	-1.0	-54.57	353.36	4.26	-50.31
O=C([O-])C(NS(=O)(=O)CC1CCCCC1(F)F)C1=CC=C(Cl)C(F)=C1	REAL300007676444	0	41	-1.0	-51.53	367.44	6.94	-44.59
O=C([O-])C(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676445	0	39	-1.0	-40.93	360.59	7.85	-33.08
CN1C=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300007676446	0	32	-1.0	-55.14	319.88	3.29	-51.85
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676447	0	32	-1.0	-38.28	329.66	6.34	-31.94
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676448	0	34	-1.0	-37.77	341.16	6.49	-31.28
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676449	0	38	-1.0	-52.43	360.08	8.01	-44.42
O=C([O-])C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676450	0	34	-1.0	-40.50	341.14	6.49	-34.01
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676451	0	36	-1.0	-41.38	342.42	5.12	-36.26
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676452	0	34	-1.0	-57.88	335.41	7.34	-50.54
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676453	0	35	-1.0	-42.81	336.36	6.53	-36.28
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676454	0	39	-1.0	-50.12	365.30	6.00	-44.12
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1C	REAL300007676455	0	44	-1.0	-50.40	374.70	8.38	-42.02
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(C)=C1	REAL300007676456	0	41	-1.0	-42.80	363.20	8.11	-34.69
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676457	0	35	-1.0	-42.74	336.37	6.53	-36.21
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676458	0	36	-1.0	-45.02	346.86	7.05	-37.97
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676459	0	32	-1.0	-40.18	331.70	6.38	-33.80
CC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676460	0	37	-1.0	-43.42	357.70	6.34	-37.08
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676461	0	38	-1.0	-52.55	351.48	7.38	-45.17
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1C	REAL300007676462	0	38	-1.0	-43.71	353.38	7.05	-36.66
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(C)=C1	REAL300007676463	0	38	-1.0	-51.89	352.31	7.24	-44.65
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676464	0	44	-1.0	-42.82	391.16	8.17	-34.65
CC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676465	0	41	-1.0	-42.60	375.18	7.78	-34.82
CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676466	0	34	-1.0	-52.95	320.67	5.05	-47.90
CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676467	0	41	-1.0	-42.19	379.35	8.06	-34.13
COC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676468	0	36	-1.0	-44.10	341.47	5.68	-38.42
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676469	0	35	-1.0	-54.35	337.58	6.50	-47.85
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676470	0	42	-1.0	-51.96	376.93	8.24	-43.72
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCC2=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676471	0	39	-1.0	-51.93	359.51	7.68	-44.25
CC1=NOC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676472	0	34	-1.0	-41.09	326.01	4.78	-36.31
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1=CC=C(Cl)C(F)=C1	REAL300007676473	0	40	-1.0	-50.95	369.64	8.22	-42.73
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC2=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676474	0	37	-1.0	-50.57	349.90	5.63	-44.94
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C1=CC=C(Cl)C(F)=C1	REAL300007676475	0	38	-1.0	-54.94	356.39	8.16	-46.78
CC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676476	0	35	-1.0	-51.65	336.46	6.76	-44.89
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676477	0	36	-1.0	-42.95	342.44	5.12	-37.83
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1Cl	REAL300007676478	0	35	-1.0	-40.50	348.39	6.93	-33.57
CCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676479	0	38	-1.0	-52.03	346.49	7.62	-44.41
CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676480	0	35	-1.0	-52.27	330.07	6.70	-45.57
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=CN1C	REAL300007676481	0	35	-1.0	-49.26	338.13	4.76	-44.50
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NON=C21)C1=CC=C(Cl)C(F)=C1	REAL300007676482	0	33	-1.0	-59.43	323.79	4.64	-54.79
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C1=CC=C(Cl)C(F)=C1	REAL300007676483	0	37	-1.0	-49.57	352.56	6.46	-43.11
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1F	REAL300007676484	0	36	-1.0	-42.29	350.67	5.22	-37.07
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1F	REAL300007676485	0	35	-1.0	-42.63	341.67	6.56	-36.07
CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676486	0	32	-1.0	-59.77	319.19	4.90	-54.87
O=C([O-])C(NS(=O)(=O)C1=CC=CN=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676487	0	31	-1.0	-51.08	309.24	3.93	-47.15
CC(C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676488	0	44	-1.0	-50.96	395.16	8.46	-42.50
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676489	0	35	-1.0	-51.03	346.79	7.23	-43.80
O=C([O-])C(NS(=O)(=O)C1CC1)C1=CC=C(Cl)C(F)=C1	REAL300007676490	0	29	-1.0	-50.80	288.48	4.34	-46.46
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1C	REAL300007676491	0	39	-1.0	-42.22	362.50	5.86	-36.36
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(C)=C1	REAL300007676492	0	39	-1.0	-50.44	359.40	6.03	-44.41
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1F)C1=CC=C(Cl)C(F)=C1	REAL300007676493	0	35	-1.0	-44.21	339.50	6.52	-37.69
CC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300007676494	0	34	-1.0	-49.80	339.35	4.37	-45.43
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=CC=C21)C1=CC=C(Cl)C(F)=C1	REAL300007676495	0	35	-1.0	-50.76	351.91	7.14	-43.62
O=C([O-])C(NS(=O)(=O)CC1CCCC1)C1=CC=C(Cl)C(F)=C1	REAL300007676496	0	38	-1.0	-39.37	339.36	6.23	-33.14
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=CC=C1F	REAL300007676497	0	36	-1.0	-40.09	348.65	5.19	-34.90
O=C([O-])C(NS(=O)(=O)C1=CSC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676498	0	29	-1.0	-47.80	305.56	4.67	-43.13
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C1=CC=C(Cl)C(F)=C1	REAL300007676499	0	37	-1.0	-54.85	351.71	6.36	-48.49
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676500	0	40	-1.0	-47.00	376.01	7.09	-39.91
O=C([O-])C(NS(=O)(=O)C1=CN=C2NC=CC=C12)C1=CC=C(Cl)C(F)=C1	REAL300007676501	0	35	-1.0	-67.28	343.38	5.02	-62.26
CC1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676502	0	38	-1.0	-42.75	358.69	7.18	-35.57
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(F)=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676503	0	35	-1.0	-41.55	343.70	6.58	-34.97
CC1=CC=CC=C1CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676504	0	38	-1.0	-54.11	353.39	7.09	-47.02
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1=CC=C(Cl)C(F)=C1	REAL300007676505	0	42	-1.0	-41.23	362.81	8.29	-32.94
O=C([O-])C(NS(=O)(=O)C1=CC=C2COCC2=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676506	0	37	-1.0	-42.47	350.95	5.14	-37.33
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676507	0	36	-1.0	-41.06	353.12	6.84	-34.22
CCCCCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676508	0	43	-1.0	-53.13	385.40	7.36	-45.77
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)N=C1C	REAL300007676509	0	38	-1.0	-51.32	360.52	5.65	-45.67
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1=CC=C(Cl)C(F)=C1	REAL300007676510	0	37	-1.0	-51.87	351.43	6.25	-45.62
O=C([O-])C(NS(=O)(=O)CC1CCCO1)C1=CC=C(Cl)C(F)=C1	REAL300007676511	0	36	-1.0	-41.58	333.00	4.12	-37.46
O=C([O-])C(NS(=O)(=O)CC1CCCCO1)C1=CC=C(Cl)C(F)=C1	REAL300007676512	0	39	-1.0	-56.21	351.72	4.81	-51.40
COCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676513	0	39	-1.0	-50.94	369.28	5.47	-45.47
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676514	0	35	-1.0	-45.26	341.04	4.43	-40.83
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Cl)C1=CC=C(Cl)C(F)=C1	REAL300007676515	0	35	-1.0	-42.73	347.77	6.93	-35.80
CN1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676516	0	32	-1.0	-48.75	317.03	3.36	-45.39
O=C([O-])C(NS(=O)(=O)CC1CCOC1)C1=CC=C(Cl)C(F)=C1	REAL300007676517	0	36	-1.0	-54.41	329.92	3.71	-50.70
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C(F)=C3)=CC=C2O1	REAL300007676518	0	40	-1.0	-50.34	370.99	6.39	-43.95
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676519	0	44	-1.0	-50.51	370.43	9.04	-41.47
CCCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676520	0	37	-1.0	-52.80	342.17	5.83	-46.97
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C(C)O1	REAL300007676521	0	35	-1.0	-51.47	340.14	5.33	-46.14
CC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676522	0	32	-1.0	-50.84	328.31	5.46	-45.38
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C1=CC=C(Cl)C(F)=C1	REAL300007676523	0	35	-1.0	-46.95	342.68	6.23	-40.72
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676524	0	35	-1.0	-42.48	338.98	4.48	-38.00
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676525	0	35	-1.0	-48.60	341.43	2.40	-46.20
O=C([O-])C(NS(=O)(=O)C1=CC=CO1)C1=CC=C(Cl)C(F)=C1	REAL300007676526	0	29	-1.0	-51.85	297.85	3.82	-48.03
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCN12)C1=CC=C(Cl)C(F)=C1	REAL300007676527	0	36	-1.0	-47.05	342.15	5.30	-41.75
O=C([O-])C(NS(=O)(=O)C1=COC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676528	0	29	-1.0	-49.99	297.32	3.69	-46.30
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)SC=C1	REAL300007676529	0	32	-1.0	-52.76	323.10	5.31	-47.45
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676530	0	40	-1.0	-51.16	367.67	6.40	-44.76
O=C([O-])C(NS(=O)(=O)C1=CNC=N1)C1=CC=C(Cl)C(F)=C1	REAL300007676531	0	29	-1.0	-55.91	296.00	3.17	-52.74
O=C([O-])C(NS(=O)(=O)CCCF)C1=CC=C(Cl)C(F)=C1	REAL300007676532	0	31	-1.0	-54.40	305.76	4.40	-50.00
O=C([O-])C(NS(=O)(=O)CCCCF)C1=CC=C(Cl)C(F)=C1	REAL300007676533	0	34	-1.0	-53.61	327.50	5.15	-48.46
CC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676534	0	35	-1.0	-50.72	340.20	4.11	-46.61
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)O1	REAL300007676535	0	32	-1.0	-44.79	319.55	4.69	-40.10
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)N(C)N=C1	REAL300007676536	0	35	-1.0	-47.04	328.51	4.12	-42.92
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676537	0	40	-1.0	-43.18	364.01	6.21	-36.97
C=C(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676538	0	32	-1.0	-53.18	310.35	4.69	-48.49
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)SC=C1	REAL300007676539	0	33	-1.0	-56.66	335.01	4.83	-51.83
C=CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676540	0	35	-1.0	-53.45	333.71	5.57	-47.88
CN(C)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676541	0	40	-1.0	-44.55	366.49	6.25	-38.30
O=C([O-])C(NS(=O)(=O)CC1CCC1)C1=CC=C(Cl)C(F)=C1	REAL300007676542	0	35	-1.0	-53.78	326.15	5.55	-48.23
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCC2)C1=CC=C(Cl)C(F)=C1	REAL300007676543	0	37	-1.0	-46.54	349.25	5.63	-40.91
O=C([O-])C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1=CC=C(Cl)C(F)=C1	REAL300007676544	0	37	-1.0	-44.49	357.55	5.83	-38.66
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCOC2=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676545	0	37	-1.0	-43.81	350.78	5.71	-38.10
COC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676546	0	35	-1.0	-49.55	338.59	3.22	-46.33
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676547	0	39	-1.0	-42.80	364.18	7.95	-34.85
O=C([O-])C(NS(=O)(=O)CCC1CCCCC1)C1=CC=C(Cl)C(F)=C1	REAL300007676548	0	44	-1.0	-52.82	380.11	7.42	-45.40
O=C([O-])C(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676549	0	35	-1.0	-55.53	343.08	6.14	-49.39
O=C([O-])C(NS(=O)(=O)CCC1CCCC1)C1=CC=C(Cl)C(F)=C1	REAL300007676550	0	41	-1.0	-40.21	363.08	6.88	-33.33
CC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300007676551	0	32	-1.0	-51.97	299.35	4.62	-47.35
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1CC	REAL300007676552	0	44	-1.0	-43.76	392.03	8.43	-35.33
CC1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676553	0	35	-1.0	-51.92	347.89	6.15	-45.77
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676554	0	33	-1.0	-39.48	337.57	3.74	-35.74
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300007676555	0	31	-1.0	-49.68	323.68	3.63	-46.05
CCC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300007676556	0	34	-1.0	-49.07	344.90	4.39	-44.68
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(N)=NO1	REAL300007676557	0	33	-1.0	-42.24	322.16	3.24	-39.00
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(N)=NO1	REAL300007676557	1	32	-2.0	-116.14	316.99	3.52	-112.62
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676558	0	39	-1.0	-51.83	362.77	5.57	-46.26
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300007676559	0	35	-1.0	-53.01	344.99	6.10	-46.91
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C1=CC=C(Cl)C(F)=C1	REAL300007676560	0	35	-1.0	-45.60	340.31	4.47	-41.13
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=CC(C)=C1F	REAL300007676561	0	38	-1.0	-39.52	359.96	7.16	-32.36
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676562	0	34	-1.0	-50.78	330.59	4.56	-46.22
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CC1	REAL300007676563	0	39	-1.0	-40.15	352.30	5.52	-34.63
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676564	0	35	-1.0	-53.12	354.56	7.00	-46.12
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=CC=C1Cl	REAL300007676565	0	35	-1.0	-38.86	348.40	6.91	-31.95
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676566	0	38	-1.0	-60.23	362.06	6.75	-53.48
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C1=CC=C(Cl)C(F)=C1	REAL300007676567	0	40	-1.0	-56.13	367.62	6.99	-49.14
CCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300007676568	0	35	-1.0	-40.86	324.55	5.92	-34.94
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCCC1	REAL300007676569	0	45	-1.0	-53.62	388.01	5.88	-47.74
CCOC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CC1	REAL300007676570	0	42	-1.0	-40.57	374.53	6.09	-34.48
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C1=CC=C(Cl)C(F)=C1	REAL300007676571	0	35	-1.0	-49.25	354.60	5.31	-43.94
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676572	0	39	-1.0	-48.32	358.02	5.56	-42.76
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300007676573	0	33	-2.0	-137.06	342.77	4.47	-132.59
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300007676573	1	34	-1.0	-62.55	338.69	4.66	-57.89
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676574	0	36	-1.0	-51.34	343.97	6.00	-45.34
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300007676575	0	42	-1.0	-42.05	392.16	8.62	-33.43
CCC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676576	0	38	-1.0	-51.07	361.51	4.83	-46.24
O=C([O-])C(NS(=O)(=O)CCCC1CC1)C1=CC=C(Cl)C(F)=C1	REAL300007676577	0	38	-1.0	-39.73	351.98	6.62	-33.11
CCCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676578	0	41	-1.0	-52.21	368.10	8.38	-43.83
COC1=NC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676579	0	35	-1.0	-53.04	341.11	3.01	-50.03
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1=CC=C(Cl)C(F)=C1	REAL300007676580	0	37	-1.0	-55.59	351.53	6.34	-49.25
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)N1C	REAL300007676581	0	35	-1.0	-51.45	334.13	4.81	-46.64
CC1=CSC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676582	0	35	-1.0	-47.88	336.55	6.40	-41.48
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676583	0	39	-1.0	-51.16	364.70	5.47	-45.69
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCC1)C1=CC=C(Cl)C(F)=C1	REAL300007676584	0	39	-1.0	-49.94	358.89	5.33	-44.61
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCCN12)C1=CC=C(Cl)C(F)=C1	REAL300007676585	0	39	-1.0	-47.66	356.50	5.96	-41.70
CC1CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C(F)=C3)=C2O1	REAL300007676586	0	40	-1.0	-57.49	373.11	6.36	-51.13
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676587	0	37	-1.0	-61.83	356.45	5.35	-56.48
CCN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676588	0	34	-1.0	-45.68	330.67	3.11	-42.57
O=C([O-])C(NS(=O)(=O)C1=CC2=NON=C2C=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676589	0	33	-1.0	-38.52	327.81	4.61	-33.91
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1=CC=C(Cl)C(F)=C1	REAL300007676590	0	35	-1.0	-52.77	353.61	7.20	-45.57
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676591	0	39	-1.0	-45.81	362.81	5.42	-40.39
O=C([O-])C(NS(=O)(=O)C1=COC2=CC=CC=C21)C1=CC=C(Cl)C(F)=C1	REAL300007676592	0	35	-1.0	-50.93	344.92	6.11	-44.82
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(C2CC2)=N1	REAL300007676593	0	39	-1.0	-45.79	370.60	5.69	-40.10
CN1N=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C(F)=C3)C=CC=C21	REAL300007676594	0	37	-1.0	-61.72	359.93	4.20	-57.52
O=C([O-])C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C1=CC=C(Cl)C(F)=C1	REAL300007676595	0	36	-1.0	-54.18	353.14	6.98	-47.20
CCCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676596	0	41	-1.0	-49.84	378.36	7.98	-41.86
CN1N=C2CCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676597	0	39	-1.0	-49.26	360.20	5.27	-43.99
CC1=CC=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676598	0	38	-1.0	-41.81	341.84	7.46	-34.35
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676599	0	41	-1.0	-50.38	358.36	5.18	-45.20
CC(C)(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676600	0	41	-1.0	-43.69	379.13	5.57	-38.12
O=C([O-])C(NS(=O)(=O)C1=CNN=C1C1CCC1)C1=CC=C(Cl)C(F)=C1	REAL300007676601	0	39	-1.0	-50.10	365.31	4.84	-45.26
CC1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676602	0	35	-1.0	-47.69	337.16	4.01	-43.68
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1C	REAL300007676603	0	38	-1.0	-52.36	347.11	7.24	-45.12
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676604	0	39	-1.0	-51.11	363.18	7.88	-43.23
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=CS1	REAL300007676605	0	33	-1.0	-42.12	335.58	4.31	-37.81
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676606	0	41	-1.0	-47.39	374.63	5.71	-41.68
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)O1	REAL300007676607	0	35	-1.0	-44.66	341.04	5.47	-39.19
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300007676608	0	33	-1.0	-50.27	338.67	4.22	-46.05
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CC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676611	0	34	-1.0	-50.53	330.70	4.58	-45.95
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CCOCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676613	0	38	-1.0	-54.65	354.93	4.27	-50.38
O=C([O-])C(NS(=O)(=O)CCC1NC(=O)NC1=O)C1=CC=C(Cl)C(F)=C1	REAL300007676614	0	37	-1.0	-60.23	357.29	-0.30	-60.53
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CC1(C)COC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300007676619	0	42	-1.0	-56.93	374.41	4.97	-51.96
O=C([O-])C(NS(=O)(=O)CC1CS(=O)(=O)C1)C1=CC=C(Cl)C(F)=C1	REAL300007676620	0	35	-1.0	-60.92	344.81	1.47	-59.45
CC(C)(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C(C)(F)F	REAL300007676621	0	40	-1.0	-51.65	353.05	6.21	-45.44
CC1(C)CCC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)OC1	REAL300007676622	0	45	-1.0	-55.38	388.33	6.13	-49.25
O=C([O-])C(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C1=CC=C(Cl)C(F)=C1	REAL300007676623	0	42	-1.0	-50.72	384.57	8.06	-42.66
O=C([O-])C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C1=CC=C(Cl)C(F)=C1	REAL300007676624	0	41	-1.0	-55.11	366.44	3.21	-51.90
COCCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300007676625	0	39	-1.0	-54.64	346.55	4.41	-50.23
CCN1N=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300007676626	0	34	-1.0	-51.36	335.88	2.67	-48.69
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300007676626	1	33	-2.0	-121.84	335.28	2.41	-119.43
O=C([O-])C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C1=CC=C(Cl)C(F)=C1	REAL300007676627	0	45	-1.0	-39.17	378.00	7.77	-31.40
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C1=CC=C(Cl)C(F)=C1	REAL300007676628	0	36	-1.0	-51.51	358.47	7.12	-44.39
CC1=COC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300007676629	0	32	-1.0	-51.87	320.01	4.47	-47.40
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676630	0	38	-1.0	-49.88	358.37	5.68	-44.20
CN1C=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(Cl)C(F)=C3)=CC=C21	REAL300007676631	0	39	-1.0	-47.35	366.64	7.59	-39.76
O=C([O-])C(NS(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676632	0	29	-1.0	-40.11	311.47	4.35	-35.76
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676632	1	28	-2.0	-125.33	308.24	4.67	-120.66
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CS1)C1=CC=C(Cl)C(F)=C1	REAL300007676633	0	29	-1.0	-47.57	323.55	5.32	-42.25
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1CC1)C1=CC=C(Cl)C(F)=C1	REAL300007676634	0	39	-1.0	-41.97	355.68	8.01	-33.96
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1C	REAL300007676635	0	38	-1.0	-47.94	361.36	3.19	-44.75
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300007676636	0	41	-1.0	-44.96	382.37	5.96	-39.00
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676637	0	41	-1.0	-50.05	381.22	5.45	-44.60
CC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300007676638	0	38	-1.0	-47.61	356.66	5.03	-42.58
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CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=NN1C(C)C	REAL300007676640	0	41	-1.0	-52.75	378.61	5.61	-47.14
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CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676643	0	41	-1.0	-47.17	337.76	6.72	-40.45
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676644	0	32	-1.0	-45.16	288.18	5.25	-39.91
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COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OC	REAL300007676648	0	40	-1.0	-49.97	325.14	3.82	-46.15
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676649	0	32	-1.0	-43.72	283.26	5.13	-38.59
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007676650	0	45	-1.0	-46.82	360.95	7.94	-38.88
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CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676654	0	34	-1.0	-51.38	284.78	6.13	-45.25
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007676655	0	35	-1.0	-46.82	321.17	6.15	-40.67
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676656	0	39	-1.0	-53.94	342.50	0.70	-53.24
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676657	0	40	-1.0	-50.60	341.56	5.96	-44.64
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007676658	0	35	-1.0	-48.42	305.16	4.63	-43.79
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300007676659	0	35	-1.0	-46.26	308.50	1.73	-44.53
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676660	0	38	-1.0	-59.53	344.11	2.35	-57.18
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1C	REAL300007676661	0	39	-1.0	-50.47	311.60	4.57	-45.90
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007676662	0	34	-1.0	-49.24	313.56	4.66	-44.58
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007676663	0	32	-1.0	-46.60	304.24	5.48	-41.12
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007676664	0	34	-1.0	-51.68	299.46	4.51	-47.17
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676665	0	46	-1.0	-51.79	397.15	3.31	-48.48
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300007676666	0	39	-1.0	-56.58	332.51	-0.19	-56.77
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007676667	0	38	-1.0	-53.94	328.28	5.30	-48.64
CCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300007676668	0	38	-1.0	-47.96	317.10	4.03	-43.93
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676669	0	38	-1.0	-55.50	323.10	5.40	-50.10
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676670	0	41	-1.0	-47.92	315.04	7.00	-40.92
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300007676671	0	42	-1.0	-55.27	357.18	6.78	-48.49
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676672	0	37	-1.0	-60.46	325.18	3.54	-56.92
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)C1	REAL300007676673	0	35	-1.0	-46.53	326.14	5.26	-41.27
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OC	REAL300007676674	0	37	-1.0	-47.17	324.17	3.66	-43.51
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C(OC)C=C1Br	REAL300007676675	0	37	-1.0	-47.94	332.78	3.97	-43.97
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Br	REAL300007676676	0	32	-1.0	-48.02	297.99	5.30	-42.72
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007676677	0	35	-1.0	-47.48	308.37	6.60	-40.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007676678	0	34	-1.0	-43.91	314.47	6.15	-37.76
COCCOC1=C(Cl)C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300007676679	0	40	-1.0	-46.54	380.12	4.86	-41.68
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007676680	0	33	-1.0	-47.62	304.00	3.75	-43.87
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007676681	0	36	-1.0	-51.39	320.61	5.56	-45.83
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676682	0	44	-1.0	-47.38	349.68	5.14	-42.24
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007676683	0	32	-1.0	-48.00	291.27	5.00	-43.00
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676684	0	40	-1.0	-54.13	338.91	3.71	-50.42
CC1=NOC(C)=C1S(=O)(=O)N1CCC(CCC(=O)[O-])CC1	REAL300007679001	0	40	-1.0	-50.21	324.55	5.31	-44.90
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300007679002	0	46	-1.0	-49.60	368.39	8.83	-40.77
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CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300007679004	0	53	-1.0	-51.28	416.85	9.96	-41.32
CCOC1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1OCC	REAL300007679005	0	52	-1.0	-53.24	415.82	7.50	-45.74
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300007679006	0	43	-1.0	-57.72	367.64	1.41	-56.31
CC1=CC(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300007679007	0	46	-1.0	-54.48	374.49	8.17	-46.31
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)=C1C	REAL300007679008	0	46	-1.0	-50.07	362.97	7.94	-42.13
O=C([O-])CCC1CCN(S(=O)(=O)N2CCCCCC2)CC1	REAL300007679009	0	46	-1.0	-47.94	346.91	6.17	-41.77
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(CCC(=O)[O-])CC3)=C2N=C1	REAL300007679010	0	46	-1.0	-56.89	371.21	7.98	-48.91
COC1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300007679011	0	44	-1.0	-53.48	356.31	7.32	-46.16
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(CCC(=O)[O-])CC1	REAL300007679012	0	42	-1.0	-51.71	354.75	6.80	-44.91
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300007679013	0	43	-1.0	-58.07	367.64	1.41	-56.66
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(CCC(=O)[O-])CC1	REAL300007679014	0	46	-1.0	-50.52	381.71	7.85	-42.67
O=C([O-])CCC1CCN(S(=O)(=O)N2CCCCC2)CC1	REAL300007679015	0	43	-1.0	-50.76	332.03	5.62	-45.14
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CC1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C2=CC=CN=C12	REAL300007679017	0	46	-1.0	-52.21	363.83	7.71	-44.50
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1C	REAL300007679018	0	46	-1.0	-54.40	365.34	9.21	-45.19
CC1CCN(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300007679019	0	46	-1.0	-47.48	348.53	6.04	-41.44
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CC(C)CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684011	0	50	-1.0	-50.17	394.60	9.11	-41.06
COCCC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684012	0	48	-1.0	-49.86	390.49	6.91	-42.95
COCCN(CCOC)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684013	0	50	-1.0	-49.74	391.31	3.70	-46.04
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684014	0	41	-1.0	-46.88	333.91	7.23	-39.65
COC1=C(C)C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1C	REAL300007684015	0	48	-1.0	-49.81	387.49	7.28	-42.53
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684016	0	54	-1.0	-50.34	425.34	8.75	-41.59
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CC(C)COC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684018	0	51	-1.0	-50.62	406.38	8.15	-42.47
CCCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684019	0	48	-1.0	-50.58	386.28	7.45	-43.13
COC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1Cl	REAL300007684020	0	42	-1.0	-51.97	359.41	6.25	-45.72
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007684021	0	42	-1.0	-51.34	369.16	6.52	-44.82
COC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1C	REAL300007684022	0	45	-1.0	-50.39	363.45	6.43	-43.96
CC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CC=C1OC(C)C	REAL300007684023	0	51	-1.0	-50.11	403.24	7.98	-42.13
COC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C)=C1	REAL300007684024	0	45	-1.0	-49.45	346.83	5.97	-43.48
COCCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684025	0	49	-1.0	-53.24	398.41	5.92	-47.32
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CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684027	0	41	-1.0	-46.92	338.67	7.29	-39.63
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1C	REAL300007684028	0	46	-1.0	-60.08	358.63	8.73	-51.35
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684029	0	47	-1.0	-55.00	377.86	4.24	-50.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684030	0	46	-1.0	-55.16	390.05	2.60	-52.56
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684031	0	46	-1.0	-63.06	368.21	4.04	-59.02
CC1=NC(C)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300007684032	0	40	-1.0	-51.50	341.22	4.88	-46.62
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COC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CC=C1F	REAL300007684035	0	42	-1.0	-49.91	349.61	5.76	-44.15
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CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684040	0	46	-1.0	-53.51	369.33	8.15	-45.36
CNC(=O)C1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CN1C	REAL300007684041	0	46	-1.0	-54.58	377.39	4.09	-50.49
COC1=CC(C)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C)=C1	REAL300007684042	0	48	-1.0	-49.67	365.61	7.09	-42.58
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COC1=CC(C)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1C	REAL300007684044	0	48	-1.0	-48.40	366.69	6.74	-41.66
CC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007684045	0	46	-1.0	-50.32	356.63	7.45	-42.87
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CCN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007684047	0	43	-1.0	-57.12	361.49	7.00	-50.12
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CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684049	0	46	-1.0	-55.51	376.56	7.69	-47.82
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CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684052	0	60	-1.0	-49.27	451.75	9.36	-39.91
CC1=CC=CC(CS(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684053	0	44	-1.0	-53.21	358.61	7.82	-45.39
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CC1=CC=CC=C1CS(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684056	0	44	-1.0	-52.52	353.00	7.73	-44.79
CCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C2=CC=CC=C12	REAL300007684057	0	51	-1.0	-53.05	398.83	9.01	-44.04
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684058	0	48	-1.0	-51.35	379.59	7.86	-43.49
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O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007684060	0	45	-1.0	-51.30	374.48	7.53	-43.77
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684061	0	52	-1.0	-53.12	420.26	6.89	-46.23
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684062	0	54	-1.0	-50.40	429.28	9.01	-41.39
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O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007684065	0	42	-1.0	-48.59	369.82	7.89	-40.70
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O=C([O-])CCC1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007684068	0	44	-1.0	-59.91	354.96	2.82	-57.09
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CCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C)=C1	REAL300007684070	0	48	-1.0	-49.28	368.98	6.94	-42.34
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684071	0	46	-1.0	-55.86	390.03	2.59	-53.27
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CSC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684073	0	42	-1.0	-50.86	353.63	7.45	-43.41
CCCCCCCS(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684074	0	49	-1.0	-51.29	384.79	8.01	-43.28
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CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684076	0	49	-1.0	-51.47	385.77	8.32	-43.15
CCN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)N=C1C	REAL300007684077	0	44	-1.0	-54.88	359.65	6.20	-48.68
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007684078	0	44	-1.0	-50.17	348.40	5.97	-44.20
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O=C([O-])CCC1CCCN(S(=O)(=O)CC2CCCO2)C1	REAL300007684080	0	42	-1.0	-55.35	333.47	4.61	-50.74
O=C([O-])CCC1CCCN(S(=O)(=O)CC2CCCCO2)C1	REAL300007684081	0	45	-1.0	-53.19	350.94	5.66	-47.53
CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1C(F)(F)F	REAL300007684082	0	44	-1.0	-47.91	368.31	7.91	-40.00
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007684083	0	44	-1.0	-51.97	384.98	7.03	-44.94
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007684084	0	47	-1.0	-50.11	378.77	8.00	-42.11
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)C=C12	REAL300007684085	0	46	-1.0	-53.44	380.24	6.13	-47.31
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684086	0	45	-1.0	-53.70	382.09	7.03	-46.67
COCC1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684087	0	45	-1.0	-51.24	368.48	6.14	-45.10
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)=C2O1	REAL300007684088	0	49	-1.0	-54.63	389.99	7.65	-46.98
CCN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300007684089	0	41	-1.0	-53.45	339.99	4.97	-48.48
O=C([O-])CCC1CCCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007684090	0	41	-1.0	-52.17	350.68	7.60	-44.57
O=C([O-])CCC1CCCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007684091	0	45	-1.0	-50.94	383.71	6.94	-44.00
CC(C1CC1)N(C)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684092	0	46	-1.0	-48.55	354.61	6.36	-42.19
CN1N=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684093	0	38	-1.0	-49.85	312.66	4.10	-45.75
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O=C([O-])CCC1CCCN(S(=O)(=O)CC2CCOC2)C1	REAL300007684095	0	42	-1.0	-52.27	329.86	4.36	-47.91
CC1CC2=CC(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)=CC=C2O1	REAL300007684096	0	46	-1.0	-49.76	370.98	7.02	-42.74
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684097	0	50	-1.0	-48.64	363.82	9.02	-39.62
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007684098	0	44	-1.0	-52.01	378.58	6.96	-45.05
COCCN(C)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684099	0	43	-1.0	-49.74	342.67	3.74	-46.00
CN(CC1CC1)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684100	0	43	-1.0	-49.87	343.85	6.09	-43.78
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)C=C2)=CO1	REAL300007684101	0	47	-1.0	-55.95	389.83	5.49	-50.46
CN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007684102	0	41	-1.0	-53.24	352.27	5.03	-48.21
CC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C(C)O1	REAL300007684103	0	41	-1.0	-50.46	331.72	5.82	-44.64
CC1=CSC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684104	0	38	-1.0	-49.70	327.04	6.09	-43.61
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007684105	0	41	-1.0	-51.99	343.16	6.81	-45.18
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007684106	0	41	-1.0	-52.18	339.95	5.07	-47.11
COC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300007684107	0	41	-1.0	-49.10	341.10	3.09	-46.01
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN=C3CCCN23)C1	REAL300007684108	0	42	-1.0	-55.36	341.43	5.86	-49.50
CC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)SC=C1	REAL300007684109	0	38	-1.0	-51.10	318.77	6.14	-44.96
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007684110	0	46	-1.0	-49.53	367.64	7.02	-42.51
O=C([O-])CCC1CCCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007684111	0	45	-1.0	-50.78	354.53	8.11	-42.67
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)C=N2)C=C1	REAL300007684112	0	48	-1.0	-53.82	395.88	8.20	-45.62
CC1CC2=CC(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007684113	0	46	-1.0	-49.94	387.22	7.55	-42.39
CC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007684114	0	43	-1.0	-49.53	358.11	7.57	-41.96
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300007684115	0	49	-1.0	-53.90	401.66	7.16	-46.74
CC1=NN(C)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684116	0	41	-1.0	-52.54	329.52	4.55	-47.99
CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300007684117	0	38	-1.0	-52.32	318.05	5.25	-47.07
CC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)N(C)N=C1	REAL300007684118	0	41	-1.0	-49.62	328.29	4.83	-44.79
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007684119	0	40	-1.0	-50.31	345.93	5.88	-44.43
CN(C)C1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684120	0	46	-1.0	-51.69	364.93	6.83	-44.86
CC1=CC2=CC=C(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)C=C2C=C1	REAL300007684121	0	47	-1.0	-50.49	381.21	9.34	-41.15
COC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)SC=C1	REAL300007684122	0	39	-1.0	-51.83	334.21	5.43	-46.40
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684123	0	46	-1.0	-51.52	365.99	6.85	-44.67
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007684124	0	43	-1.0	-51.72	346.38	6.28	-45.44
O=C([O-])CCC1CCCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007684125	0	43	-1.0	-60.10	360.56	6.49	-53.61
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007684126	0	43	-1.0	-50.21	349.70	6.27	-43.94
O=C([O-])CCC1CCCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007684127	0	44	-1.0	-52.03	375.39	8.44	-43.59
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)C=C21	REAL300007684128	0	50	-1.0	-51.29	388.35	6.95	-44.34
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007684129	0	40	-1.0	-51.12	349.43	5.72	-45.40
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684130	0	46	-1.0	-55.91	367.43	6.91	-49.00
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684131	0	46	-1.0	-52.33	366.19	8.06	-44.27
CC1=CC=C(C)C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007684132	0	46	-1.0	-56.20	366.48	9.49	-46.71
CC1=CC(C)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007684133	0	46	-1.0	-55.59	361.11	7.86	-47.73
COC1=CC=C(CCS(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684134	0	48	-1.0	-53.48	388.17	7.22	-46.26
COC1=CN=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684135	0	41	-1.0	-51.23	338.05	3.90	-47.33
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300007684136	0	47	-1.0	-49.59	386.46	8.07	-41.52
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007684137	0	45	-1.0	-50.25	362.66	8.53	-41.72
COC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CC(OC)=C1	REAL300007684138	0	46	-1.0	-51.78	372.92	5.01	-46.77
O=C([O-])CCC1CCCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007684139	0	50	-1.0	-51.26	379.49	8.11	-43.15
CC1=CC=C(CCS(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684140	0	47	-1.0	-52.03	380.07	8.60	-43.43
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1)OCO2	REAL300007684141	0	44	-1.0	-50.29	345.91	5.44	-44.85
O=C([O-])CCC1CCCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007684142	0	41	-1.0	-52.33	339.88	6.72	-45.61
COC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CC=C1Cl	REAL300007684143	0	42	-1.0	-49.13	359.41	6.25	-42.88
O=C([O-])CCC1CCCN(S(=O)(=O)CCC2CCCC2)C1	REAL300007684144	0	47	-1.0	-51.44	363.34	7.53	-43.91
CN1C=NC2=CC(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)=CC=C21	REAL300007684145	0	44	-1.0	-58.26	362.18	7.77	-50.49
CC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007684146	0	46	-1.0	-56.47	363.09	7.97	-48.50
CC1=NC2=CC=C(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)C=C2O1	REAL300007684147	0	43	-1.0	-53.39	357.13	4.09	-49.30
CCC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1CC	REAL300007684148	0	50	-1.0	-49.09	390.98	8.96	-40.13
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684149	0	46	-1.0	-48.78	364.24	8.52	-40.26
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684150	0	48	-1.0	-51.70	372.90	7.93	-43.77
CC1=C(C)SC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684151	0	41	-1.0	-51.08	345.67	6.78	-44.30
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684152	0	39	-1.0	-48.23	331.22	4.27	-43.96
CC1=NC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300007684153	0	37	-1.0	-49.09	322.43	4.23	-44.86
CCC1=NC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300007684154	0	40	-1.0	-48.72	343.93	4.99	-43.73
CC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(N)=NO1	REAL300007684155	0	39	-1.0	-49.13	319.88	3.83	-45.30
CN(C)C1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300007684156	0	45	-1.0	-52.22	362.71	6.22	-46.00
CC1=CC(C)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300007684157	0	41	-1.0	-50.34	341.59	6.97	-43.37
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007684158	0	44	-1.0	-57.94	359.24	7.71	-50.23
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007684159	0	41	-1.0	-51.21	337.81	5.07	-46.14
CC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CC(C)=C1F	REAL300007684160	0	44	-1.0	-48.36	360.94	7.74	-40.62
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007684161	0	45	-1.0	-52.00	369.92	6.15	-45.85
O=C([O-])CCC1CCCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007684162	0	51	-1.0	-54.84	414.23	7.97	-46.87
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300007684163	0	42	-1.0	-59.08	344.00	6.18	-52.90
O=C([O-])CCC1CCCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007684164	0	40	-1.0	-52.88	341.37	6.11	-46.77
CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300007684165	0	40	-1.0	-51.55	330.54	5.23	-46.32
CC1=NC(CS(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CS1	REAL300007684166	0	40	-1.0	-55.94	343.77	4.83	-51.11
COC(CS(=O)(=O)N1CCCC(CCC(=O)[O-])C1)C1CC1	REAL300007684167	0	45	-1.0	-51.84	356.11	5.64	-46.20
O=C([O-])CCC1CCCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007684168	0	41	-1.0	-50.91	354.44	7.66	-43.25
CC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CC=C1Cl	REAL300007684169	0	41	-1.0	-48.07	349.35	7.49	-40.58
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007684170	0	44	-1.0	-58.89	362.00	7.40	-51.49
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)C=C2)=N1	REAL300007684171	0	47	-1.0	-51.29	399.67	7.90	-43.39
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007684172	0	46	-1.0	-53.52	361.55	7.63	-45.89
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007684173	0	45	-1.0	-57.84	378.57	4.29	-53.55
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007684174	0	47	-1.0	-52.38	369.81	6.78	-45.60
O=C([O-])CCC1CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007684175	0	41	-1.0	-52.30	357.17	7.66	-44.64
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684176	0	51	-1.0	-50.29	403.52	8.10	-42.19
COC(CS(=O)(=O)N1CCCC(CCC(=O)[O-])C1)C1CCCC1	REAL300007684177	0	51	-1.0	-52.56	386.23	6.78	-45.78
COC(CS(=O)(=O)N1CCCC(CCC(=O)[O-])C1)C1CCCCC1	REAL300007684178	0	54	-1.0	-52.19	408.83	7.62	-44.57
CC1(C)CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)CO1	REAL300007684179	0	45	-1.0	-50.98	353.16	5.04	-45.94
CCOC(CS(=O)(=O)N1CCCC(CCC(=O)[O-])C1)C1CC1	REAL300007684180	0	48	-1.0	-51.86	377.53	6.74	-45.12
CCCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1C(C)C	REAL300007684181	0	57	-1.0	-49.61	445.34	9.44	-40.17
CCC1=NC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CN1CC1CC1	REAL300007684182	0	51	-1.0	-54.38	408.29	8.20	-46.18
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007684183	0	41	-1.0	-50.54	353.15	5.92	-44.62
CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007684184	0	46	-1.0	-49.91	366.17	8.24	-41.67
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684185	0	45	-1.0	-48.92	357.45	6.19	-42.73
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007684186	0	51	-1.0	-49.71	412.67	8.61	-41.10
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684187	0	41	-1.0	-48.11	353.83	5.07	-43.04
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007684188	0	48	-1.0	-54.31	374.10	9.55	-44.76
CCC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C(C)C=C1OC	REAL300007684189	0	51	-1.0	-50.70	388.82	7.50	-43.20
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300007684190	0	40	-1.0	-57.43	342.28	5.29	-52.14
CC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007684191	0	47	-1.0	-51.64	361.58	9.34	-42.30
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300007684192	0	47	-1.0	-49.03	383.09	4.95	-44.08
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684193	0	42	-1.0	-51.53	339.89	6.52	-45.01
CCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1C(C)C	REAL300007684194	0	54	-1.0	-49.96	423.85	8.64	-41.32
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1F	REAL300007684195	0	50	-1.0	-47.64	392.11	8.65	-38.99
O=C([O-])CCC1CCCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007684196	0	57	-1.0	-50.93	439.56	10.95	-39.98
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684197	0	48	-1.0	-49.36	369.38	6.35	-43.01
CN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007684198	0	50	-1.0	-51.74	382.07	6.61	-45.13
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007684199	0	48	-1.0	-51.99	381.38	6.76	-45.23
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684200	0	41	-1.0	-51.15	340.07	5.06	-46.09
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684201	0	45	-1.0	-53.99	371.77	6.58	-47.41
C=CCCC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684202	0	48	-1.0	-49.05	391.12	9.18	-39.87
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684203	0	44	-1.0	-52.23	350.49	5.10	-47.13
O=C([O-])CCC1CCCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007684204	0	42	-1.0	-49.03	362.55	8.10	-40.93
CCCOC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1CC	REAL300007684205	0	54	-1.0	-48.88	428.45	8.91	-39.97
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684206	0	44	-1.0	-47.82	352.72	8.37	-39.45
O=C([O-])CCC1CCCN(S(=O)(=O)CCCC2CC2)C1	REAL300007684207	0	44	-1.0	-49.91	352.41	7.23	-42.68
O=C([O-])CCC1CCCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007684208	0	42	-1.0	-49.67	360.06	8.01	-41.66
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684209	0	47	-1.0	-50.33	361.67	8.81	-41.52
COC1=NC=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684210	0	41	-1.0	-53.19	335.85	3.64	-49.55
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007684211	0	43	-1.0	-55.19	343.69	6.94	-48.25
CC1=NC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)N1C	REAL300007684212	0	41	-1.0	-49.53	333.07	5.44	-44.09
CC1=CSC(C)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684213	0	41	-1.0	-48.02	331.73	6.95	-41.07
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007684214	0	45	-1.0	-49.49	363.82	6.09	-43.40
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007684215	0	45	-1.0	-50.12	359.97	6.26	-43.86
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007684216	0	48	-1.0	-49.01	374.57	6.67	-42.34
CC1(C)COC2=C(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)C=NN2C1	REAL300007684217	0	49	-1.0	-53.34	388.48	4.43	-48.91
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007684218	0	44	-1.0	-50.45	380.74	7.31	-43.14
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007684219	0	45	-1.0	-53.58	354.98	6.54	-47.04
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1C	REAL300007684220	0	54	-1.0	-51.55	411.06	8.42	-43.13
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684221	0	48	-1.0	-51.61	378.80	7.75	-43.86
CC1CC2=CC=CC(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)=C2O1	REAL300007684222	0	46	-1.0	-51.88	367.94	7.09	-44.79
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300007684223	0	46	-1.0	-48.70	382.57	6.07	-42.63
O=C([O-])CCC1CCCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007684224	0	44	-1.0	-50.77	365.14	6.94	-43.83
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684225	0	43	-1.0	-58.26	354.59	6.01	-52.25
CCN1N=NC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684226	0	40	-1.0	-51.28	325.54	3.71	-47.57
O=C([O-])CCC1CCCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007684227	0	47	-1.0	-49.56	358.79	6.40	-43.16
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007684228	0	39	-1.0	-47.95	328.78	5.21	-42.74
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007684229	0	41	-1.0	-52.71	352.29	7.87	-44.84
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684230	0	45	-1.0	-49.99	364.39	6.20	-43.79
CC1=CC(C)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C)=C1F	REAL300007684231	0	47	-1.0	-48.43	360.97	8.39	-40.04
COC1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1OC	REAL300007684232	0	46	-1.0	-50.29	366.42	6.28	-44.01
O=C([O-])CCC1CCCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300007684233	0	41	-1.0	-52.42	340.89	6.63	-45.79
CN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007684234	0	51	-1.0	-51.31	391.00	6.90	-44.41
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684235	0	50	-1.0	-52.79	390.04	6.92	-45.87
CCCCN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C)=N1	REAL300007684236	0	50	-1.0	-51.14	391.68	6.83	-44.31
CN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C2CC2)=N1	REAL300007684237	0	45	-1.0	-52.89	364.44	6.18	-46.71
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007684238	0	42	-1.0	-51.96	352.68	6.01	-45.95
CN1N=NC2=C(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)C=CC=C21	REAL300007684239	0	43	-1.0	-62.39	355.84	4.90	-57.49
CC1(C)CCCN(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300007684240	0	49	-1.0	-48.94	364.44	6.75	-42.19
CN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C2CCC2)=N1	REAL300007684241	0	48	-1.0	-52.77	377.59	6.53	-46.24
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684242	0	56	-1.0	-50.83	422.32	10.29	-40.54
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007684243	0	48	-1.0	-53.33	387.91	7.05	-46.28
O=C([O-])CCC1CCCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007684244	0	42	-1.0	-51.72	350.42	7.60	-44.12
COC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007684245	0	47	-1.0	-61.94	378.83	7.61	-54.33
CCCC1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684246	0	47	-1.0	-50.37	377.87	8.64	-41.73
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684247	0	45	-1.0	-50.26	356.64	5.84	-44.42
O=C([O-])CCC1CCCN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C1	REAL300007684248	0	44	-1.0	-50.06	341.48	5.92	-44.14
CC1=CC=CC(C)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684249	0	44	-1.0	-49.64	336.26	7.83	-41.81
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684250	0	47	-1.0	-49.68	359.24	6.13	-43.55
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300007684251	0	47	-1.0	-52.86	378.43	6.12	-46.74
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007684252	0	45	-1.0	-51.76	354.62	5.22	-46.54
CC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007684253	0	43	-1.0	-49.07	364.45	6.26	-42.81
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007684254	0	41	-1.0	-48.21	358.95	7.50	-40.71
CC1=NN(C)C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684255	0	41	-1.0	-50.09	334.60	4.69	-45.40
CC1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1C	REAL300007684256	0	44	-1.0	-48.58	334.84	7.24	-41.34
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684257	0	49	-1.0	-55.20	398.06	8.46	-46.74
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007684258	0	49	-1.0	-50.32	382.51	9.42	-40.90
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007684259	0	44	-1.0	-49.49	376.35	7.44	-42.05
O=C([O-])CCC1CCCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007684260	0	44	-1.0	-50.25	355.86	6.87	-43.38
CN(C1CCC1)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684261	0	43	-1.0	-49.76	333.65	5.55	-44.21
O=C([O-])CCC1CCCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007684262	0	45	-1.0	-57.51	366.51	4.78	-52.73
O=C([O-])CCC1CCCN(C(=O)N2CCC(F)(F)CC2)C1	REAL300007684263	0	42	-1.0	-46.39	318.62	8.09	-38.30
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007684264	0	38	-1.0	-54.48	336.43	6.68	-47.80
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007684265	0	45	-1.0	-49.86	363.11	8.50	-41.36
COC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=CS1	REAL300007684266	0	39	-1.0	-51.35	334.20	4.88	-46.47
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007684267	0	48	-1.0	-49.45	377.57	7.00	-42.45
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684268	0	47	-1.0	-49.37	370.94	6.21	-43.16
CN(C(C)(C)C)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684269	0	45	-1.0	-49.28	335.60	5.41	-43.87
CCC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300007684270	0	41	-1.0	-51.20	340.00	6.00	-45.20
CN(C1CCCCCC1)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684271	0	52	-1.0	-48.72	379.55	7.26	-41.46
CN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007684272	0	52	-1.0	-52.76	408.43	5.41	-47.35
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684273	0	44	-1.0	-50.91	366.68	7.96	-42.95
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007684274	0	42	-1.0	-51.83	352.73	6.01	-45.82
O=C([O-])CCC1CCCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007684275	0	53	-1.0	-49.51	405.06	8.90	-40.61
COC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300007684276	0	39	-1.0	-50.50	337.25	4.88	-45.62
CC1=CC(C)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C2=NC=CC=C12	REAL300007684277	0	49	-1.0	-59.40	377.80	8.41	-50.99
O=C([O-])CCC1CCCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007684278	0	46	-1.0	-50.22	365.13	6.32	-43.90
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007684279	0	41	-1.0	-52.74	346.59	5.11	-47.63
CCOCC1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684280	0	48	-1.0	-51.17	390.33	7.11	-44.06
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684281	0	48	-1.0	-51.19	392.57	7.66	-43.53
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007684282	0	51	-1.0	-49.17	400.31	7.36	-41.81
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007684283	0	49	-1.0	-51.01	402.11	9.27	-41.74
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300007684284	0	41	-1.0	-51.60	329.50	7.28	-44.32
CC1=CN=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684285	0	40	-1.0	-51.59	329.93	5.29	-46.30
CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C2=CC=CC=C12	REAL300007684286	0	47	-1.0	-54.08	366.39	9.27	-44.81
CN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300007684287	0	48	-1.0	-55.66	390.10	7.57	-48.09
O=C([O-])CCC1CCCN(S(=O)(=O)N2CC3CC2C3)C1	REAL300007684288	0	41	-1.0	-50.72	325.12	5.31	-45.41
O=C([O-])CCC1CCCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007684289	0	42	-1.0	-50.37	351.79	7.67	-42.70
CCOCCCS(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684290	0	44	-1.0	-53.28	354.33	4.93	-48.35
O=C([O-])CCC1CCCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007684291	0	43	-1.0	-59.03	357.14	0.39	-58.64
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007684292	0	41	-1.0	-53.02	338.96	6.82	-46.20
O=C([O-])CCC1CCCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007684293	0	44	-1.0	-52.95	346.88	6.84	-46.11
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007684294	0	40	-1.0	-51.78	344.42	5.82	-45.96
O=C([O-])CCC1CCCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300007684295	0	46	-1.0	-52.10	368.28	3.61	-48.49
O=C([O-])CCC1CCCN(S(=O)(=O)CC2COCCO2)C1	REAL300007684296	0	43	-1.0	-54.64	341.83	3.79	-50.85
CC1=NC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007684297	0	47	-1.0	-54.44	389.96	5.39	-49.05
O=C([O-])CCC1CCCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007684298	0	55	-1.0	-49.79	390.95	9.29	-40.50
O=C([O-])CCC1CCCN(S(=O)(=O)CCN2C=NN=N2)C1	REAL300007684299	0	39	-1.0	-58.99	328.73	4.29	-54.70
CC1(C)COC(CS(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300007684300	0	48	-1.0	-51.60	373.96	5.71	-45.89
O=C([O-])CCC1CCCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007684301	0	41	-1.0	-58.10	344.95	2.09	-56.01
CC(C)(CS(=O)(=O)N1CCCC(CCC(=O)[O-])C1)C(C)(F)F	REAL300007684302	0	46	-1.0	-50.72	352.45	6.89	-43.83
CS(=O)(=O)CCCCS(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684303	0	46	-1.0	-62.05	383.94	3.22	-58.83
CC1(C)CCC(CS(=O)(=O)N2CCCC(CCC(=O)[O-])C2)OC1	REAL300007684304	0	51	-1.0	-52.93	387.73	6.78	-46.15
O=C([O-])CCC1CCCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300007684305	0	48	-1.0	-51.42	383.92	8.72	-42.70
O=C([O-])CCC1CCCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007684306	0	42	-1.0	-58.63	361.43	5.47	-53.16
O=C([O-])CCC1CCCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007684307	0	48	-1.0	-55.64	395.34	9.28	-46.36
O=C([O-])CCC1CCCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007684308	0	47	-1.0	-55.71	366.96	4.25	-51.46
COCCC1(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300007684309	0	45	-1.0	-53.11	351.05	5.39	-47.72
CCN1N=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300007684310	0	40	-1.0	-50.75	334.60	3.26	-47.49
O=C([O-])CCC1CCCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007684311	0	51	-1.0	-49.77	381.47	8.43	-41.34
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007684312	0	42	-1.0	-49.98	357.71	7.73	-42.25
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300007684313	0	49	-1.0	-51.53	389.92	7.51	-44.02
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684314	0	43	-1.0	-54.54	341.90	3.32	-51.22
CC1=COC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684315	0	38	-1.0	-50.90	318.50	5.07	-45.83
CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300007684316	0	38	-1.0	-52.32	318.05	5.25	-47.07
CCC1=NNC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684317	0	41	-1.0	-51.30	329.85	3.89	-47.41
COC1=CSC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1OC	REAL300007684318	0	43	-1.0	-49.16	363.75	5.13	-44.03
O=C([O-])CCC1CCCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007684319	0	50	-1.0	-48.54	373.96	6.86	-41.68
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684320	0	49	-1.0	-51.44	393.54	8.30	-43.14
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007684321	0	42	-1.0	-52.77	357.71	7.11	-45.66
COC1=CC(F)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(F)=C1	REAL300007684322	0	42	-1.0	-52.32	351.42	6.00	-46.32
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007684323	0	42	-1.0	-53.21	359.36	6.04	-47.17
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684324	0	44	-1.0	-51.71	355.15	6.25	-45.46
CN1C=CC2=CC(S(=O)(=O)N3CCCC(CCC(=O)[O-])C3)=CC=C21	REAL300007684325	0	45	-1.0	-52.37	367.62	8.19	-44.18
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684326	0	51	-1.0	-51.43	402.99	8.70	-42.73
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007684327	0	49	-1.0	-51.47	402.19	9.28	-42.19
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684328	0	44	-1.0	-59.49	353.86	8.33	-51.16
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007684329	0	39	-1.0	-53.50	354.01	5.24	-48.26
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684330	0	49	-1.0	-51.32	397.15	8.05	-43.27
CCN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C2CC2)=N1	REAL300007684331	0	48	-1.0	-52.70	385.98	7.04	-45.66
CC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C2=NSN=C2C=C1	REAL300007684332	0	42	-1.0	-57.77	346.68	5.52	-52.25
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007684333	0	44	-1.0	-49.86	376.55	9.18	-40.68
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007684334	0	37	-1.0	-52.40	341.56	4.35	-48.05
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684335	0	51	-1.0	-49.38	399.76	7.61	-41.77
O=C([O-])CCC1CCCN(S(=O)(=O)C2=C(Cl)OC=C2)C1	REAL300007684336	0	35	-1.0	-48.93	305.31	4.64	-44.29
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007684337	0	35	-1.0	-49.10	322.27	5.94	-43.16
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684338	0	52	-1.0	-52.76	412.90	6.77	-45.99
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007684339	0	44	-1.0	-50.99	364.68	8.87	-42.12
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684340	0	46	-1.0	-50.17	361.02	4.01	-46.16
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007684341	0	45	-1.0	-51.24	351.77	8.48	-42.76
CC1(C)CCN(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300007684342	0	49	-1.0	-48.02	362.02	6.30	-41.72
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007684343	0	53	-1.0	-50.91	415.32	6.81	-44.10
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684344	0	41	-1.0	-48.01	351.07	4.15	-43.86
COC1=NC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=C1C	REAL300007684345	0	44	-1.0	-49.84	360.77	3.85	-45.99
CC(C)CN1C=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300007684346	0	47	-1.0	-49.74	381.31	6.52	-43.22
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684347	0	47	-1.0	-51.77	369.74	5.93	-45.84
O=C([O-])CCC1CCCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007684348	0	48	-1.0	-51.56	369.94	3.72	-47.84
COCC1=CC(CS(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=NO1	REAL300007684349	0	44	-1.0	-54.58	368.28	4.33	-50.25
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)N=C1	REAL300007684350	0	49	-1.0	-50.98	386.56	6.75	-44.23
CC(C)N1N=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684351	0	44	-1.0	-48.64	352.74	5.58	-43.06
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300007684352	0	45	-1.0	-50.06	358.44	6.61	-43.45
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007684353	0	45	-1.0	-51.60	369.36	7.56	-44.04
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300007684354	0	40	-1.0	-52.02	342.37	5.29	-46.73
O=C([O-])CCC1CCCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300007684355	0	43	-1.0	-57.09	348.52	6.80	-50.29
CC1=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C=NN1C(C)C	REAL300007684356	0	47	-1.0	-54.14	366.50	5.87	-48.27
O=C([O-])CCC1CCCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300007684357	0	43	-1.0	-53.55	351.21	6.83	-46.72
CC1=CN=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C)=C1	REAL300007684358	0	43	-1.0	-52.14	347.60	5.90	-46.24
CC1=CN=CC=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684359	0	40	-1.0	-50.00	312.93	4.97	-45.03
O=C([O-])CCC1CCCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300007684360	0	41	-1.0	-48.37	345.26	6.10	-42.27
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684361	0	46	-1.0	-57.78	371.58	2.24	-55.54
O=C([O-])CCC1CCCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300007684362	0	45	-1.0	-48.64	345.11	4.49	-44.15
N#CC1CCN(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300007684363	0	44	-1.0	-54.28	347.89	5.69	-48.59
COC1=CC=NC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684364	0	41	-1.0	-51.86	340.21	3.78	-48.08
C=CCN(CC=C)S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684365	0	44	-1.0	-49.67	357.11	6.43	-43.24
COC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C(C(F)F)=C1	REAL300007684366	0	45	-1.0	-50.63	360.84	6.75	-43.88
COC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)N=C1	REAL300007684367	0	41	-1.0	-51.56	339.59	3.74	-47.82
CC1=CC=CN=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684368	0	40	-1.0	-53.86	320.66	5.12	-48.74
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684369	0	44	-1.0	-47.58	373.44	4.65	-42.93
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300007684370	0	43	-1.0	-52.97	344.46	6.82	-46.15
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC(CCC(=O)[O-])C1	REAL300007684371	0	44	-1.0	-55.58	359.72	5.53	-50.05
CC1=CC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)C2=NC=CC=C12	REAL300007684372	0	46	-1.0	-56.26	367.56	7.85	-48.41
CC1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=CC=N1	REAL300007684373	0	40	-1.0	-49.56	330.71	5.25	-44.31
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CNC3=CC=CC=C32)C1	REAL300007684374	0	42	-1.0	-53.85	343.03	6.19	-47.66
O=C([O-])CCC1CCCN(S(=O)(=O)N2CCC(F)(F)C2)C1	REAL300007684375	0	40	-1.0	-49.54	330.39	4.90	-44.64
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CN=CS2)C1	REAL300007684376	0	34	-1.0	-50.10	300.48	3.53	-46.57
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300007684377	0	40	-1.0	-54.38	344.82	5.41	-48.97
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300007684378	0	51	-1.0	-51.15	394.02	8.36	-42.79
CCC(C)C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684379	0	43	-1.0	-47.36	351.01	6.13	-41.23
COC1=CC=C(C)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684380	0	38	-1.0	-50.57	313.08	4.03	-46.54
CC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684381	0	34	-1.0	-48.03	308.04	4.95	-43.08
CC(CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)CC(=O)[O-]	REAL300007684382	0	35	-1.0	-48.76	309.41	3.87	-44.89
CC(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)CC(=O)[O-]	REAL300007684383	0	37	-1.0	-55.81	333.03	1.06	-54.75
CC(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)CC(=O)[O-]	REAL300007684384	0	35	-1.0	-47.65	317.15	3.32	-44.33
COC1=CC(C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1OC	REAL300007684385	0	42	-1.0	-50.61	344.60	3.65	-46.96
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684386	0	34	-1.0	-46.05	303.81	4.95	-41.10
CC(CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)CC(=O)[O-]	REAL300007684387	0	47	-1.0	-47.16	374.20	7.35	-39.81
CC(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)CC(=O)[O-]	REAL300007684388	0	37	-1.0	-50.70	315.64	2.69	-48.01
CC(CNS(=O)(=O)C1=CC=CC=C1Br)CC(=O)[O-]	REAL300007684389	0	31	-1.0	-48.63	288.84	4.29	-44.34
CC(CNS(=O)(=O)C1=CC=CC(Br)=C1)CC(=O)[O-]	REAL300007684390	0	31	-1.0	-48.00	292.46	4.14	-43.86
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684391	0	36	-1.0	-54.65	306.00	5.88	-48.77
CC(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)CC(=O)[O-]	REAL300007684392	0	37	-1.0	-51.13	333.14	5.55	-45.58
CC(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC(=O)[O-]	REAL300007684393	0	41	-1.0	-60.27	354.46	0.11	-60.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684394	0	42	-1.0	-50.04	354.79	5.37	-44.67
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)CC(=O)[O-]	REAL300007684395	0	37	-1.0	-50.05	316.85	4.04	-46.01
COCC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684396	0	38	-1.0	-48.74	327.41	3.27	-45.47
CCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=N1	REAL300007684397	0	37	-1.0	-47.91	321.37	1.16	-46.75
CC(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)CC(=O)[O-]	REAL300007684398	0	40	-1.0	-59.64	357.36	1.75	-57.89
CC(CNS(=O)(=O)CCCS(C)(=O)=O)CC(=O)[O-]	REAL300007684399	0	36	-1.0	-62.02	321.32	-0.43	-62.45
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C)=C1C	REAL300007684400	0	41	-1.0	-48.97	331.77	4.36	-44.61
CC(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)CC(=O)[O-]	REAL300007684401	0	36	-1.0	-49.52	322.27	4.04	-45.48
CC(CNS(=O)(=O)CC1=CC=C(Br)C=C1)CC(=O)[O-]	REAL300007684402	0	34	-1.0	-51.37	316.20	4.88	-46.49
CC(CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)CC(=O)[O-]	REAL300007684403	0	36	-1.0	-51.63	312.12	3.92	-47.71
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684404	0	48	-1.0	-53.98	410.35	2.73	-51.25
CC(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CC(=O)[O-]	REAL300007684405	0	41	-1.0	-56.28	343.04	-0.88	-57.16
CC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007684406	0	40	-1.0	-52.31	345.76	4.88	-47.43
CCN1N=C(C)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1C	REAL300007684407	0	40	-1.0	-49.39	331.76	3.48	-45.91
CC(C)CN1C=NC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684408	0	40	-1.0	-53.79	335.70	4.78	-49.01
CC(CNS(=O)(=O)C1=CC=CC=C1C(C)(C)C)CC(=O)[O-]	REAL300007684409	0	43	-1.0	-47.86	324.79	6.06	-41.80
CC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)CC(=O)[O-]	REAL300007684410	0	44	-1.0	-54.24	375.40	6.49	-47.75
CC(CNS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)CC(=O)[O-]	REAL300007684411	0	39	-1.0	-59.54	337.62	2.94	-56.60
CC(CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)CC(=O)[O-]	REAL300007684412	0	37	-1.0	-48.47	338.13	4.68	-43.79
COC1=CC(Cl)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1OC	REAL300007684413	0	39	-1.0	-49.19	331.49	2.79	-46.40
COC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C(OC)C=C1Br	REAL300007684414	0	39	-1.0	-48.82	341.54	3.33	-45.49
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Br	REAL300007684415	0	34	-1.0	-48.40	310.66	4.73	-43.67
CC(CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)CC(=O)[O-]	REAL300007684416	0	37	-1.0	-48.29	326.58	6.31	-41.98
CC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)CC(=O)[O-]	REAL300007684417	0	36	-1.0	-47.97	325.58	5.78	-42.19
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)CC(=O)[O-]	REAL300007684418	0	35	-1.0	-50.01	316.63	3.18	-46.83
CC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)CC(=O)[O-]	REAL300007684419	0	38	-1.0	-50.62	328.41	5.23	-45.39
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684420	0	46	-1.0	-49.41	365.11	4.55	-44.86
CC(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)CC(=O)[O-]	REAL300007684421	0	34	-1.0	-48.69	304.52	4.41	-44.28
COCC1=CC=C(OC)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684422	0	42	-1.0	-51.63	346.75	3.09	-48.54
CC(CN(C1CC1)S(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007686001	0	46	-1.0	-50.49	334.75	5.98	-44.51
CC(CN(C1CC1)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007686002	0	41	-1.0	-46.56	353.33	6.84	-39.72
CC(CN(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007686003	0	45	-1.0	-50.84	361.37	5.98	-44.86
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686004	0	53	-1.0	-51.04	399.01	9.38	-41.66
CC(CN(C1CC1)S(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007686005	0	45	-1.0	-53.41	365.15	6.76	-46.65
CC(CN(C1CC1)S(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007686006	0	39	-1.0	-54.20	331.64	6.82	-47.38
CC(CN(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007686007	0	46	-1.0	-52.02	381.64	8.93	-43.09
COC1=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300007686008	0	44	-1.0	-58.26	344.49	6.75	-51.51
CCCC1=CC=CC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686009	0	44	-1.0	-50.30	345.60	7.70	-42.60
CC(CN(C1CC1)S(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007686010	0	42	-1.0	-48.62	323.46	4.91	-43.71
CC(CN(C1CC1)S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)C(=O)[O-]	REAL300007686011	0	41	-1.0	-48.14	320.59	5.80	-42.34
CC1=CC=CC(C)=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686012	0	41	-1.0	-47.86	303.20	6.89	-40.97
CC(CN(C1CC1)S(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007686013	0	44	-1.0	-49.91	331.48	5.21	-44.70
CC(CN(C1CC1)S(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007686014	0	44	-1.0	-49.22	355.66	5.83	-43.39
CC(CN(C1CC1)S(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007686015	0	42	-1.0	-48.70	335.72	5.00	-43.70
CC1=CC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=CN=C1C(F)(F)F	REAL300007686016	0	40	-1.0	-49.08	333.75	5.26	-43.82
CC(CN(C1CC1)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007686017	0	38	-1.0	-45.46	337.99	7.36	-38.10
CC1=NN(C)C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686018	0	38	-1.0	-47.22	300.09	3.99	-43.23
CC1=CC=CC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1C	REAL300007686019	0	41	-1.0	-50.07	310.23	6.53	-43.54
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686020	0	46	-1.0	-61.59	367.40	7.57	-54.02
CC(CN(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007686021	0	46	-1.0	-50.84	352.71	8.66	-42.18
CC(CN(C1CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007686022	0	41	-1.0	-48.68	353.02	7.11	-41.57
CC(CN(C1CC1)S(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007686023	0	41	-1.0	-47.99	334.91	6.71	-41.28
CC(CN(C1CC1)S(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007686024	0	42	-1.0	-55.24	345.89	4.60	-50.64
CC(CN(C1CC1)S(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007686025	0	35	-1.0	-46.43	302.45	6.09	-40.34
CC(CN(C1CC1)S(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007686026	0	42	-1.0	-48.89	339.47	8.18	-40.71
COC1=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C=CS1	REAL300007686027	0	36	-1.0	-53.43	310.74	4.36	-49.07
CC(CN(C1CC1)S(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007686028	0	45	-1.0	-47.50	345.96	6.11	-41.39
CCC(C)N1N=CC=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686029	0	44	-1.0	-48.98	351.32	5.65	-43.33
CCC1=CC=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)O1	REAL300007686030	0	38	-1.0	-51.13	319.23	5.92	-45.21
CC(CN(C1CC1)S(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007686031	0	49	-1.0	-48.82	362.20	7.28	-41.54
CC(CN(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007686032	0	49	-1.0	-55.43	384.38	4.73	-50.70
CC(CN(C1CC1)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007686033	0	41	-1.0	-50.22	333.43	6.97	-43.25
CC(CN(C1CC1)S(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007686034	0	39	-1.0	-49.50	322.10	5.10	-44.40
CC(CN(C1CC1)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007686035	0	50	-1.0	-48.08	388.36	8.82	-39.26
COC1=CC=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)S1	REAL300007686036	0	36	-1.0	-48.39	314.94	4.56	-43.83
CC1=CC(C)=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300007686037	0	46	-1.0	-58.78	347.63	7.83	-50.95
CC(CN(C1CC1)S(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007686038	0	43	-1.0	-49.25	346.42	6.17	-43.08
CC(CN(C1CC1)S(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007686039	0	38	-1.0	-51.45	325.84	5.03	-46.42
CCOCC1=CC=CC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686040	0	45	-1.0	-52.81	359.77	6.22	-46.59
CC(CN(C1CC1)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007686041	0	45	-1.0	-48.49	360.82	6.95	-41.54
CC(CN(C1CC1)S(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007686042	0	48	-1.0	-50.74	381.07	7.21	-43.53
CC(CN(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007686043	0	46	-1.0	-48.96	379.31	8.99	-39.97
CC(CN(C1CC1)S(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007686044	0	38	-1.0	-53.03	310.50	7.10	-45.93
CC1=CC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=CC(C)=C1Br	REAL300007686045	0	41	-1.0	-47.29	350.84	8.07	-39.22
CC1=CC=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007686046	0	44	-1.0	-55.72	344.42	8.56	-47.16
CC(CN(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007686047	0	45	-1.0	-56.96	371.45	7.43	-49.53
CC(CN(C1CC1)S(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007686048	0	39	-1.0	-48.53	329.47	7.36	-41.17
CC(CN(C1CC1)S(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007686049	0	39	-1.0	-49.29	344.36	7.91	-41.38
CC(CN(C1CC1)S(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007686050	0	39	-1.0	-47.56	343.42	7.88	-39.68
CC(CN(C1CC1)S(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007686051	0	40	-1.0	-58.00	333.16	0.08	-57.92
CC(CN(C1CC1)S(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300007686052	0	38	-1.0	-54.68	308.69	5.76	-48.92
CC(CN(C1CC1)S(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007686053	0	41	-1.0	-54.94	324.58	6.23	-48.71
CC(CN(C1CC1)S(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007686054	0	37	-1.0	-52.79	323.47	5.69	-47.10
CC(CN(C1CC1)S(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007686055	0	43	-1.0	-52.07	345.54	3.36	-48.71
CC(CN(C1CC1)S(=O)(=O)CC1COCCO1)C(=O)[O-]	REAL300007686056	0	40	-1.0	-52.96	311.72	2.96	-50.00
CC1=NC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007686057	0	44	-1.0	-55.91	370.90	5.41	-50.50
CC(CN(C1CC1)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007686058	0	52	-1.0	-49.12	360.53	8.56	-40.56
CC(CN(C1CC1)S(=O)(=O)CCN1C=NN=N1)C(=O)[O-]	REAL300007686059	0	36	-1.0	-57.85	299.43	3.56	-54.29
CC(CN(C1CC1)S(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007686060	0	45	-1.0	-50.81	352.24	5.82	-44.99
CC(CN(C1CC1)S(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007686061	0	38	-1.0	-56.86	315.64	1.36	-55.50
CC(CN(C1CC1)S(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007686062	0	43	-1.0	-49.94	329.71	6.62	-43.32
CC(CN(C1CC1)S(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007686063	0	43	-1.0	-60.23	352.94	2.55	-57.68
CC(CN(C1CC1)S(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007686064	0	48	-1.0	-52.23	357.20	5.88	-46.35
CC(CN(C1CC1)S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007686065	0	45	-1.0	-50.06	361.24	8.46	-41.60
CC(CN(C1CC1)S(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007686066	0	39	-1.0	-57.86	331.54	4.67	-53.19
CC(CN(C1CC1)S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007686067	0	45	-1.0	-54.56	373.68	9.10	-45.46
CC(CN(C1CC1)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007686068	0	44	-1.0	-53.83	346.24	3.72	-50.11
COCCC1(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)CC1	REAL300007686069	0	42	-1.0	-51.26	328.97	5.26	-46.00
CCN1N=CC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=N1	REAL300007686070	0	37	-1.0	-52.26	313.18	2.63	-49.63
CC(CN(C1CC1)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007686071	0	48	-1.0	-50.36	358.41	8.17	-42.19
CC(CN(C1CC1)S(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007686072	0	39	-1.0	-49.85	325.23	6.88	-42.97
CC(CN(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007686073	0	57	-1.0	-50.06	419.93	10.26	-39.80
COC1=CC=C(C=C(C)S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C=C1	REAL300007686074	0	46	-1.0	-49.74	366.49	7.07	-42.67
CO[C@@H]1COC[C@@H]1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686075	0	40	-1.0	-50.78	310.48	2.42	-48.36
CCC1=NNC=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686076	0	38	-1.0	-49.04	301.15	3.04	-46.00
COC1=CSC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1OC	REAL300007686077	0	40	-1.0	-47.80	331.31	4.31	-43.49
CC(CN(C1CC1)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007686078	0	47	-1.0	-47.72	352.09	6.73	-40.99
CC(CN(C1CC1)S(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007686079	0	46	-1.0	-48.45	361.65	7.92	-40.53
CC(CN(C1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007686080	0	39	-1.0	-51.31	335.69	6.65	-44.66
COC1=CC(F)=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C(F)=C1	REAL300007686081	0	39	-1.0	-51.98	328.95	5.69	-46.29
CC(CN(C1CC1)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007686082	0	39	-1.0	-53.54	336.64	5.75	-47.79
CC(CN(C1CC1)S(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007686083	0	41	-1.0	-49.88	323.95	5.35	-44.53
CC(CN(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007686084	0	42	-1.0	-53.94	335.14	7.36	-46.58
CC(CN(C1CC1)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007686085	0	44	-1.0	-48.75	361.71	6.01	-42.74
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686086	0	48	-1.0	-49.53	386.08	8.73	-40.80
CC(CN(C1CC1)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007686087	0	46	-1.0	-54.49	371.50	8.44	-46.05
CC(CN(C1CC1)S(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007686088	0	41	-1.0	-57.43	332.95	8.09	-49.34
CC(CN(C1CC1)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007686089	0	36	-1.0	-49.16	327.89	5.01	-44.15
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686090	0	46	-1.0	-54.11	366.49	7.15	-46.96
CCN1C=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300007686091	0	45	-1.0	-53.86	366.00	6.32	-47.54
CC1=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C2=NSN=C2C=C1	REAL300007686092	0	39	-1.0	-52.92	327.83	5.25	-47.67
CC(CN(C1CC1)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007686093	0	41	-1.0	-49.72	353.78	8.90	-40.82
CC(CN(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007686094	0	45	-1.0	-47.96	383.45	10.23	-37.73
CC(CN(C1CC1)S(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007686095	0	34	-1.0	-53.87	320.51	4.32	-49.55
CCC1=CC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=CC=C1Br	REAL300007686096	0	41	-1.0	-47.28	340.94	7.51	-39.77
CC1=NN(C2CCCC2)C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686097	0	48	-1.0	-47.82	376.22	7.25	-40.57
CC(CN(C1CC1)S(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300007686098	0	32	-1.0	-48.65	285.33	4.59	-44.06
CC(CN(C1CC1)S(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007686099	0	32	-1.0	-46.32	292.71	5.26	-41.06
COCCC1=CC=C(OC)C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686100	0	49	-1.0	-54.18	391.23	6.15	-48.03
CC(CN(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007686101	0	41	-1.0	-49.80	349.54	8.40	-41.40
CC(CN(C1CC1)S(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007686102	0	43	-1.0	-49.57	328.31	3.08	-46.49
CC(CN(C1CC1)S(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007686103	0	42	-1.0	-53.60	327.41	7.52	-46.08
CC(CN(C1CC1)S(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007686104	0	46	-1.0	-47.28	345.25	6.25	-41.03
CC(CN(C1CC1)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007686105	0	50	-1.0	-50.55	392.68	6.51	-44.04
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686106	0	38	-1.0	-49.94	329.17	3.53	-46.41
COC1=NC=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C=C1C	REAL300007686107	0	41	-1.0	-47.17	330.13	2.93	-44.24
CC(C)CN1C=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C=N1	REAL300007686108	0	44	-1.0	-49.13	358.57	6.22	-42.91
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686109	0	44	-1.0	-53.26	350.11	5.33	-47.93
CC(CN(C1CC1)S(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007686110	0	45	-1.0	-53.69	345.16	3.33	-50.36
COCC1=CC(CS(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=NO1	REAL300007686111	0	41	-1.0	-56.77	338.31	3.60	-53.17
CC(CN(C1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007686112	0	40	-1.0	-52.87	347.75	7.85	-45.02
CC(CN(C1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007686113	0	46	-1.0	-54.32	366.04	6.15	-48.17
CC(C)N1N=CC=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686114	0	41	-1.0	-47.15	333.23	5.50	-41.65
CC(CN(C1CC1)S(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007686115	0	42	-1.0	-46.49	334.37	6.20	-40.29
CC(CN(C1CC1)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007686116	0	42	-1.0	-54.31	342.05	7.09	-47.22
CC(CN(C1CC1)S(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007686117	0	37	-1.0	-50.68	319.21	4.95	-45.73
CC(CN(C1CC1)S(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007686118	0	40	-1.0	-58.43	326.22	6.48	-51.95
CC1=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C=NN1C(C)C	REAL300007686119	0	44	-1.0	-51.04	351.77	5.26	-45.78
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C=C1	REAL300007686120	0	49	-1.0	-48.34	403.64	9.83	-38.51
CC(CN(C1CC1)S(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007686121	0	40	-1.0	-56.09	319.15	6.28	-49.81
CC1=CN=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C(C)=C1	REAL300007686122	0	40	-1.0	-51.81	324.92	5.61	-46.20
CC(CN(C1CC1)S(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007686123	0	38	-1.0	-47.06	313.32	5.57	-41.49
CC(CN(C1CC1)S(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007686124	0	43	-1.0	-59.25	350.99	1.61	-57.64
CC(CN(C1CC1)S(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007686125	0	42	-1.0	-48.71	316.05	3.81	-44.90
CC(CN(C1CC1)S(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007686126	0	41	-1.0	-54.64	327.66	5.47	-49.17
COC1=CC=NC(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686127	0	38	-1.0	-52.31	309.41	3.49	-48.82
C=CCN(CC=C)S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686128	0	41	-1.0	-47.92	333.01	6.06	-41.86
COC1=CC=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C(C(F)F)=C1	REAL300007686129	0	42	-1.0	-53.37	340.89	6.12	-47.25
COC1=CC=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)N=C1	REAL300007686130	0	38	-1.0	-50.71	317.36	3.43	-47.28
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686131	0	41	-1.0	-50.11	352.09	4.06	-46.05
CC(CN(C1CC1)S(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007686132	0	40	-1.0	-52.20	322.28	6.10	-46.10
CCOC1=CC=CN=C1S(=O)(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300007686133	0	41	-1.0	-56.53	328.73	5.35	-51.18
CC1=CC=C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300007686134	0	43	-1.0	-57.27	343.26	7.71	-49.56
CC(CN(C1CC1)S(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007686135	0	39	-1.0	-58.54	320.76	5.53	-53.01
CC(CN(C1CC1)S(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300007686136	0	37	-1.0	-47.21	310.25	4.81	-42.40
CC(CN(C1CC1)S(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007686137	0	37	-1.0	-52.51	312.19	5.05	-47.46
CC(CN(C1CC1)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007686138	0	42	-1.0	-56.44	359.39	6.53	-49.91
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CC(C)C(=O)[O-])C2CC2)=C1	REAL300007686139	0	48	-1.0	-55.08	375.86	7.85	-47.23
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686140	0	37	-1.0	-56.70	302.11	6.09	-50.61
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686141	0	44	-1.0	-54.75	339.05	8.23	-46.52
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007686142	0	29	-1.0	-47.71	269.00	5.26	-42.45
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686143	0	39	-1.0	-58.54	305.58	6.08	-52.46
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686144	0	35	-1.0	-55.57	285.05	6.45	-49.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007686145	0	36	-1.0	-50.61	300.52	5.87	-44.74
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686146	0	38	-1.0	-60.72	321.58	3.20	-57.52
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007686147	0	36	-1.0	-48.36	306.83	5.48	-42.88
COC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300007686148	0	43	-1.0	-57.69	322.44	5.03	-52.66
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686149	0	35	-1.0	-51.35	280.52	6.35	-45.00
CN(C1CCCCC1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686150	0	43	-1.0	-44.95	313.52	5.91	-39.04
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686151	0	38	-1.0	-59.44	295.69	4.80	-54.64
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007686152	0	48	-1.0	-54.82	362.75	9.49	-45.33
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007686153	0	38	-1.0	-59.59	305.40	4.85	-54.74
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007686154	0	32	-1.0	-51.42	265.32	5.72	-45.70
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007686155	0	32	-1.0	-49.96	282.14	6.30	-43.66
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686156	0	37	-1.0	-47.05	282.40	6.96	-40.09
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007686157	0	38	-1.0	-53.51	324.93	7.73	-45.78
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686158	0	42	-1.0	-59.22	346.18	2.26	-56.96
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686159	0	43	-1.0	-59.01	343.37	7.52	-51.49
CC1=CC(F)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686160	0	35	-1.0	-56.72	288.72	6.42	-50.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007686161	0	38	-1.0	-57.94	304.92	6.20	-51.74
COCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686162	0	39	-1.0	-55.57	315.47	5.39	-50.18
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300007686163	0	38	-1.0	-49.99	309.84	3.30	-46.69
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686164	0	41	-1.0	-68.41	345.92	3.87	-64.54
CS(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686165	0	37	-1.0	-63.67	311.85	1.72	-61.95
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300007686166	0	42	-1.0	-54.33	311.48	5.50	-48.83
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007686167	0	37	-1.0	-56.85	315.28	6.03	-50.82
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007686168	0	35	-1.0	-51.19	307.94	7.04	-44.15
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007686169	0	37	-1.0	-53.40	300.09	5.85	-47.55
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300007686170	0	42	-1.0	-52.09	326.02	0.93	-51.16
CN(C1CCOCC1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686171	0	41	-1.0	-46.20	305.86	3.65	-42.55
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007686172	0	41	-1.0	-60.32	322.95	6.51	-53.81
CCN1N=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300007686173	0	41	-1.0	-55.30	320.24	5.73	-49.57
CC(C)N1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300007686174	0	38	-1.0	-57.22	304.83	4.65	-52.57
CC(C)CN1C=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686175	0	41	-1.0	-56.88	328.75	6.42	-50.46
CC(C)N1C=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686176	0	38	-1.0	-55.78	309.66	5.82	-49.96
CC(C)C1=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN1	REAL300007686177	0	38	-1.0	-52.59	303.80	4.01	-48.58
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686178	0	44	-1.0	-55.78	311.02	8.12	-47.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007686179	0	45	-1.0	-63.71	361.47	8.40	-55.31
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686180	0	40	-1.0	-55.28	325.65	5.10	-50.18
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300007686181	0	40	-1.0	-51.78	321.67	4.84	-46.94
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300007686182	0	35	-1.0	-49.51	298.68	6.68	-42.83
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686183	0	35	-1.0	-49.95	268.94	5.88	-44.07
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007686184	0	38	-1.0	-55.87	312.69	8.22	-47.65
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007686185	0	37	-1.0	-49.15	313.21	7.36	-41.79
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007686186	0	36	-1.0	-54.87	304.63	5.14	-49.73
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007686187	0	39	-1.0	-52.70	320.96	7.15	-45.55
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686188	0	47	-1.0	-55.26	360.11	7.27	-47.99
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007686189	0	35	-1.0	-57.56	295.06	6.61	-50.95
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686190	0	43	-1.0	-60.17	339.23	5.14	-55.03
CNC(=O)C1=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=CN1C	REAL300007687001	0	39	-1.0	-54.23	362.24	0.53	-53.70
COC1=CC(C)=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300007687002	0	41	-1.0	-48.34	353.93	3.67	-44.67
COC1=CC(C)=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1C	REAL300007687003	0	41	-1.0	-49.08	362.60	3.82	-45.26
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)=N1	REAL300007687004	0	39	-1.0	-49.62	344.31	4.06	-45.56
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=CN=CC=C32)=N1	REAL300007687005	0	36	-1.0	-52.99	334.68	3.44	-49.55
CCN1C=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C([N+](=O)[O-])=N1	REAL300007687006	0	36	-1.0	-57.71	348.48	3.76	-53.95
CCN1C=C(S(=O)(=O)[N-]CC2=NC(C)=C(C(=O)[O-])S2)C([N+](=O)[O-])=N1	REAL300007687006	1	35	-2.0	-105.99	346.45	3.40	-102.59
CCC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687007	0	39	-1.0	-56.72	361.45	4.15	-52.57
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C2CC2)=N1	REAL300007687008	0	33	-1.0	-48.24	303.70	1.53	-46.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=N1	REAL300007687009	0	41	-1.0	-53.17	384.34	4.43	-48.74
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C3NC=CC=C23)=N1	REAL300007687010	0	34	-1.0	-61.06	326.56	2.08	-58.98
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(CCC(C)C)CCC(C)C)=N1	REAL300007687011	0	53	-1.0	-48.01	432.88	5.74	-42.27
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC(C)=CC=C2)=N1	REAL300007687012	0	37	-1.0	-52.71	343.52	4.26	-48.45
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC(F)=C2)=N1	REAL300007687013	0	34	-1.0	-53.58	328.52	3.66	-49.92
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC=C2C)=N1	REAL300007687014	0	37	-1.0	-52.16	337.80	4.18	-47.98
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687015	0	41	-1.0	-50.29	362.15	4.29	-46.00
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=N1	REAL300007687016	0	36	-1.0	-60.96	346.63	3.06	-57.90
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=N1	REAL300007687017	0	38	-1.0	-52.29	358.93	4.00	-48.29
CCCCCOC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007687018	0	47	-1.0	-49.14	414.20	5.47	-43.67
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=C2CCCC3)=N1	REAL300007687019	0	41	-1.0	-48.85	354.03	5.56	-43.29
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)=N1	REAL300007687020	0	37	-1.0	-51.86	349.44	4.58	-47.28
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3COCC3=C2)=N1	REAL300007687021	0	36	-1.0	-50.04	334.33	2.18	-47.86
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC3=CC=CN=C32)=N1	REAL300007687022	0	39	-1.0	-57.39	362.00	4.14	-53.25
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2CCS(=O)(=O)CC2)=N1	REAL300007687023	0	37	-1.0	-61.35	342.35	-0.65	-62.00
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)=N1	REAL300007687024	0	36	-1.0	-56.61	346.61	3.06	-53.55
CCOC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300007687025	0	41	-1.0	-49.08	364.42	4.01	-45.07
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2OC(F)F)=N1	REAL300007687026	0	35	-1.0	-50.55	328.65	2.97	-47.58
CSC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007687027	0	35	-1.0	-49.48	338.56	3.90	-45.58
CCCCCCCS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687028	0	42	-1.0	-51.35	369.70	4.48	-46.87
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300007687029	0	37	-1.0	-53.86	360.84	4.58	-49.28
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687030	0	42	-1.0	-49.81	367.47	4.70	-45.11
CCN1C=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)N=C1C	REAL300007687031	0	37	-1.0	-53.09	341.92	2.83	-50.26
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=C2OCCO3)=N1	REAL300007687032	0	37	-1.0	-50.68	332.87	2.44	-48.24
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=NC=CC=C23)=N1	REAL300007687033	0	36	-1.0	-51.13	334.50	3.34	-47.79
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCCO2)=N1	REAL300007687034	0	35	-1.0	-54.64	317.81	1.21	-53.43
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCCCO2)=N1	REAL300007687035	0	38	-1.0	-52.85	336.30	1.90	-50.95
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)=N1	REAL300007687036	0	37	-1.0	-49.11	352.80	4.40	-44.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=N1	REAL300007687037	0	40	-1.0	-51.70	363.17	4.48	-47.22
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC3=NC(C)=C(C(=O)[O-])S3)C=C12	REAL300007687038	0	39	-1.0	-52.06	364.68	2.60	-49.46
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687039	0	38	-1.0	-53.01	367.02	3.48	-49.53
COCC1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687040	0	38	-1.0	-50.81	353.43	2.60	-48.21
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)=N1	REAL300007687041	0	42	-1.0	-51.08	366.17	4.02	-47.06
CCN1C=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=N1	REAL300007687042	0	34	-1.0	-51.75	324.44	1.45	-50.30
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC=C2Cl)=N1	REAL300007687043	0	34	-1.0	-52.69	335.52	4.04	-48.65
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C(C)C2CC2)=N1	REAL300007687044	0	39	-1.0	-48.66	342.86	2.93	-45.73
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NN2C)=N1	REAL300007687045	0	31	-1.0	-48.86	297.59	0.55	-48.31
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)=N1	REAL300007687046	0	34	-1.0	-51.24	349.18	4.48	-46.76
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCOC2)=N1	REAL300007687047	0	35	-1.0	-52.58	314.45	0.79	-51.79
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3OC(C)CC3=C2)=N1	REAL300007687048	0	39	-1.0	-49.92	355.28	3.46	-46.46
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687049	0	43	-1.0	-47.31	355.68	6.07	-41.24
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=N1	REAL300007687050	0	37	-1.0	-50.06	362.12	3.75	-46.31
CCCCCS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687051	0	36	-1.0	-51.33	326.70	2.92	-48.41
COCCN(C)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687052	0	36	-1.0	-49.16	327.38	0.20	-48.96
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)CC2CC2)=N1	REAL300007687053	0	36	-1.0	-47.84	318.87	2.09	-45.75
CC1=NC(C2=CC=C(S(=O)(=O)NCC3=NC(C)=C(C(=O)[O-])S3)C=C2)=CO1	REAL300007687054	0	40	-1.0	-54.21	374.77	1.95	-52.26
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=N1	REAL300007687055	0	34	-1.0	-53.96	338.10	1.83	-52.13
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=N1	REAL300007687055	1	33	-2.0	-100.87	336.12	1.41	-99.46
CC1=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C(C)O1	REAL300007687056	0	34	-1.0	-49.30	323.13	2.40	-46.90
CC1=CSC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687057	0	31	-1.0	-48.34	311.93	2.54	-45.80
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CC=C3O2)=N1	REAL300007687058	0	34	-1.0	-50.72	328.13	3.26	-47.46
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3OCOC3=C2)=N1	REAL300007687059	0	34	-1.0	-51.16	324.40	1.54	-49.62
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=N1	REAL300007687060	0	34	-1.0	-49.45	325.54	-0.44	-49.89
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CO2)=N1	REAL300007687061	0	28	-1.0	-49.91	281.05	0.87	-49.04
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C3CCCN23)=N1	REAL300007687062	0	35	-1.0	-53.87	326.77	2.29	-51.58
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=COC=C2)=N1	REAL300007687063	0	28	-1.0	-50.72	280.90	0.76	-49.96
CC1=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)SC=C1	REAL300007687064	0	31	-1.0	-48.34	306.59	2.69	-45.65
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3OCCCC3=C2)=N1	REAL300007687065	0	39	-1.0	-49.88	352.05	3.51	-46.37
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2CC3=CC=CC=C3C2)=N1	REAL300007687066	0	38	-1.0	-51.21	337.42	4.45	-46.76
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2CCOC2)=N1	REAL300007687067	0	32	-1.0	-52.99	296.55	-0.01	-53.00
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CNC=N2)=N1	REAL300007687068	0	28	-1.0	-56.16	279.66	0.25	-55.91
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)=N1	REAL300007687069	0	41	-1.0	-52.44	380.33	4.67	-47.77
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)=N1	REAL300007687070	0	36	-1.0	-49.99	342.57	4.06	-45.93
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCCCF)=N1	REAL300007687071	0	33	-1.0	-52.75	311.80	2.28	-50.47
CC1=NN(C)C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687072	0	34	-1.0	-51.92	323.96	1.17	-50.75
CC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)O1	REAL300007687073	0	31	-1.0	-49.66	302.96	1.69	-47.97
CC1=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)N(C)N=C1	REAL300007687074	0	34	-1.0	-48.41	314.22	1.38	-47.03
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C3C=CSC3=C2)=N1	REAL300007687075	0	33	-1.0	-50.61	330.36	2.37	-48.24
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(N(C)C)C=C2)=N1	REAL300007687076	0	39	-1.0	-50.22	349.48	3.27	-46.95
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3C=C(C)C=CC3=C2)=N1	REAL300007687077	0	40	-1.0	-50.19	365.66	5.81	-44.38
COC1=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)SC=C1	REAL300007687078	0	32	-1.0	-52.01	318.67	1.92	-50.09
C=CCCCS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687079	0	34	-1.0	-51.74	318.02	2.70	-49.04
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(N(C)C)=C2)=N1	REAL300007687080	0	39	-1.0	-50.30	350.90	3.30	-47.00
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCC2)=N1	REAL300007687081	0	34	-1.0	-51.35	310.46	2.66	-48.69
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=C2OCC3)=N1	REAL300007687082	0	36	-1.0	-51.06	328.02	2.72	-48.34
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=NOC3=CC=CC=C32)=N1	REAL300007687083	0	36	-1.0	-57.63	345.47	2.94	-54.69
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3CCOC3=C2)=N1	REAL300007687084	0	36	-1.0	-51.67	334.16	2.72	-48.95
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2=CC=C(Cl)C=C2)=N1	REAL300007687085	0	37	-1.0	-52.34	360.35	4.90	-47.44
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3CCCN(C)C3=C2)=N1	REAL300007687086	0	43	-1.0	-50.33	372.57	3.43	-46.90
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=N1	REAL300007687087	0	33	-1.0	-49.64	333.10	2.11	-47.53
COC1=CC=CC(OC)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687088	0	39	-1.0	-53.72	352.34	3.39	-50.33
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)=N1	REAL300007687089	0	39	-1.0	-50.47	357.03	4.95	-45.52
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C([N+](=O)[O-])C(C)=CC=C2C)=N1	REAL300007687090	0	39	-1.0	-54.31	353.25	5.82	-48.49
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=C(C)C([N+](=O)[O-])=C2)=N1	REAL300007687091	0	39	-1.0	-51.34	357.51	4.98	-46.36
COC1=CC=C(CCS(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007687092	0	41	-1.0	-53.49	373.12	3.68	-49.81
COC1=CN=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687093	0	34	-1.0	-50.16	322.95	0.35	-49.81
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(C)(C)C)S2)=N1	REAL300007687094	0	40	-1.0	-48.10	371.36	4.53	-43.57
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C3CC3)C=C2)=N1	REAL300007687095	0	38	-1.0	-48.89	347.59	4.99	-43.90
COC1=CC(OC)=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687096	0	39	-1.0	-51.10	357.34	1.49	-49.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2CCCCC2)=N1	REAL300007687097	0	43	-1.0	-51.23	364.40	4.55	-46.68
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2=CC=C(C)C=C2)=N1	REAL300007687098	0	40	-1.0	-51.98	365.03	5.06	-46.92
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=C(C=C2C)OCO3)=N1	REAL300007687099	0	37	-1.0	-49.73	339.07	2.45	-47.28
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3OC=CC3=CC=C2)=N1	REAL300007687100	0	34	-1.0	-51.36	320.46	3.08	-48.28
COC1=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=CC=C1Cl	REAL300007687101	0	35	-1.0	-49.20	343.88	2.74	-46.46
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2CCCC2)=N1	REAL300007687102	0	40	-1.0	-51.15	347.91	3.97	-47.18
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3C(=C2)N=CN3C)=N1	REAL300007687103	0	37	-1.0	-56.15	346.63	4.22	-51.93
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=N1	REAL300007687104	0	39	-1.0	-54.82	352.17	4.69	-50.13
CC1=NC2=CC=C(S(=O)(=O)NCC3=NC(C)=C(C(=O)[O-])S3)C=C2O1	REAL300007687105	0	36	-1.0	-51.79	342.01	0.54	-51.25
CCC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1CC	REAL300007687106	0	43	-1.0	-48.76	375.42	5.45	-43.31
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)=N1	REAL300007687107	0	39	-1.0	-47.79	349.29	4.90	-42.89
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687108	0	41	-1.0	-51.15	352.82	4.31	-46.84
CC1=C(C)SC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687109	0	34	-1.0	-48.62	331.32	3.27	-45.35
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(Cl)=CN=C2N)=N1	REAL300007687110	0	32	-1.0	-47.86	320.54	0.76	-47.10
CC1=NC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)S1	REAL300007687111	0	30	-1.0	-49.17	306.89	0.71	-48.46
CCC1=NC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)S1	REAL300007687112	0	33	-1.0	-48.69	328.38	1.46	-47.23
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=C(C)ON=C2N)=N1	REAL300007687113	0	31	-2.0	-92.35	303.67	-0.13	-92.48
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(N(C)C)N=C2)=N1	REAL300007687114	0	38	-1.0	-51.42	348.03	2.60	-48.82
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)S1	REAL300007687115	0	34	-1.0	-48.80	326.85	3.18	-45.62
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=N1	REAL300007687116	0	37	-1.0	-53.15	330.01	4.14	-49.01
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=C2OCO3)=N1	REAL300007687117	0	34	-1.0	-50.81	318.71	1.44	-49.37
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C)=C(F)C(C)=C2)=N1	REAL300007687118	0	37	-1.0	-48.24	345.40	4.22	-44.02
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=N1	REAL300007687119	0	38	-1.0	-54.61	354.34	2.63	-51.98
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCCOCC2=CC=CC=C2)=N1	REAL300007687120	0	44	-1.0	-54.88	399.14	4.44	-50.44
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CNC3=CC=CC(F)=C32)=N1	REAL300007687121	0	35	-1.0	-56.65	336.81	2.94	-53.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3N=CSC3=CC=C2)=N1	REAL300007687122	0	33	-1.0	-52.31	322.70	2.64	-49.67
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)N=C2)=N1	REAL300007687123	0	33	-1.0	-49.94	314.98	1.70	-48.24
CC1=NC(CS(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=CS1	REAL300007687124	0	33	-1.0	-54.16	328.72	1.27	-52.89
COC(CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1)C1CC1	REAL300007687125	0	38	-1.0	-52.91	339.95	2.62	-50.29
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=C(Cl)C=C2)=N1	REAL300007687126	0	34	-1.0	-52.75	338.85	4.11	-48.64
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(Cl)C(C)=C2)=N1	REAL300007687127	0	34	-1.0	-48.06	333.83	3.99	-44.07
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=N1	REAL300007687128	0	37	-1.0	-54.72	346.48	3.87	-50.85
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=C2OCCC3)=N1	REAL300007687129	0	39	-1.0	-50.75	341.72	4.06	-46.69
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=C2OCCCO3)=N1	REAL300007687130	0	40	-1.0	-50.29	352.31	3.19	-47.10
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC(F)=CC=C2Cl)=N1	REAL300007687131	0	34	-1.0	-51.47	342.00	4.10	-47.37
CCC1(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300007687132	0	34	-1.0	-50.16	308.03	3.05	-47.11
CCC(C)OC1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687133	0	44	-1.0	-50.89	388.39	4.54	-46.35
COC(CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1)C1CCCC1	REAL300007687134	0	44	-1.0	-49.78	372.17	3.15	-46.63
COC(CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1)C1CCCCC1	REAL300007687135	0	47	-1.0	-51.43	391.13	3.63	-47.80
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2COC(C)(C)C2)=N1	REAL300007687136	0	38	-1.0	-50.33	331.54	1.26	-49.07
CCOC(CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1)C1CC1	REAL300007687137	0	41	-1.0	-51.62	362.44	3.19	-48.43
CCC1=NC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=CN1CC1CC1	REAL300007687138	0	44	-1.0	-52.58	395.05	4.97	-47.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C(C3CC3)S2)=N1	REAL300007687139	0	34	-1.0	-48.73	338.11	2.38	-46.35
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)=N1	REAL300007687140	0	39	-1.0	-51.72	362.32	5.24	-46.48
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C3CC3)C=NN2C)=N1	REAL300007687141	0	38	-1.0	-47.91	344.94	2.76	-45.15
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C(F)(F)F)=NN2C)=N1	REAL300007687142	0	34	-1.0	-48.29	339.97	1.49	-46.80
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=N1	REAL300007687143	0	41	-1.0	-52.23	364.46	6.29	-45.94
CCC1=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C(C)C=C1OC	REAL300007687144	0	44	-1.0	-48.86	385.11	4.44	-44.42
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=N1	REAL300007687145	0	32	-2.0	-110.59	323.22	1.49	-109.10
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=N1	REAL300007687145	1	33	-1.0	-55.40	322.94	1.75	-53.65
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=CC3=CC=CC=C32)=N1	REAL300007687146	0	40	-1.0	-50.83	349.80	5.99	-44.84
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OC(C)C)N=C2)=N1	REAL300007687147	0	40	-1.0	-49.61	367.54	1.43	-48.18
COC1=C(F)C=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687148	0	35	-1.0	-48.79	323.04	2.98	-45.81
CCOC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1C(C)C	REAL300007687149	0	47	-1.0	-49.31	408.32	5.13	-44.18
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)=N1	REAL300007687150	0	43	-1.0	-48.53	376.60	5.12	-43.41
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3CCCCC3=NN2C)=N1	REAL300007687151	0	41	-1.0	-48.38	356.32	2.96	-45.42
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C)N=C2C(C)(C)C)=N1	REAL300007687152	0	43	-1.0	-51.73	369.32	3.17	-48.56
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C3CCCC3)N=C2)=N1	REAL300007687153	0	41	-1.0	-50.76	365.78	3.22	-47.54
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C(F)(F)F)C=NN2C)=N1	REAL300007687154	0	34	-1.0	-46.93	323.58	1.51	-45.42
COC1=CC=C(F)C=C1CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687155	0	38	-1.0	-53.45	356.70	3.03	-50.42
C=CCCC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007687156	0	41	-1.0	-49.10	375.56	5.66	-43.44
CCC1=NN(C)C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687157	0	37	-1.0	-51.49	343.96	1.91	-49.58
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C=CC2=CC=CC(Cl)=C2)=N1	REAL300007687158	0	35	-1.0	-50.26	347.00	4.58	-45.68
CCCOC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1CC	REAL300007687159	0	47	-1.0	-48.98	412.90	5.39	-43.59
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=C(Cl)C=C2C)=N1	REAL300007687160	0	37	-1.0	-46.59	341.21	4.88	-41.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCCC2CC2)=N1	REAL300007687161	0	37	-1.0	-51.65	336.82	3.71	-47.94
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C=CC2=CC=CC=C2Cl)=N1	REAL300007687162	0	35	-1.0	-51.22	344.51	4.49	-46.73
CCCC1=CC=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687163	0	40	-1.0	-48.50	351.16	5.44	-43.06
COC1=NC=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687164	0	34	-1.0	-50.56	316.69	0.09	-50.47
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=CC=NC=C32)=N1	REAL300007687165	0	36	-1.0	-54.15	334.55	3.43	-50.72
CC1=NC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)N1C	REAL300007687166	0	34	-1.0	-50.85	317.73	1.85	-49.00
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=N2)=N1	REAL300007687167	0	30	-1.0	-52.82	294.19	0.98	-51.84
CC1=CSC(C)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687168	0	34	-1.0	-47.25	321.80	3.58	-43.67
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C3CCC3)N=C2)=N1	REAL300007687169	0	38	-1.0	-50.77	348.26	2.56	-48.21
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NN2C2CCC2)=N1	REAL300007687170	0	38	-1.0	-49.89	340.76	2.48	-47.41
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NN2CC2CCC2)=N1	REAL300007687171	0	41	-1.0	-48.20	367.57	3.49	-44.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)=N1	REAL300007687172	0	42	-1.0	-51.38	369.28	0.92	-50.46
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=N1	REAL300007687173	0	37	-1.0	-49.73	365.21	3.79	-45.94
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C3CCCCN23)=N1	REAL300007687174	0	38	-1.0	-51.91	343.30	2.86	-49.05
COC1=CC(C(C)C)=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1C	REAL300007687175	0	47	-1.0	-49.03	401.83	5.00	-44.03
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(F)=CC=C2OC(C)C)=N1	REAL300007687176	0	41	-1.0	-49.65	363.33	4.22	-45.43
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=C2OC(C)C3)=N1	REAL300007687177	0	39	-1.0	-51.11	349.06	3.49	-47.62
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C(C(C)(C)C)S2)=N1	REAL300007687178	0	39	-1.0	-48.45	367.03	2.55	-45.90
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687179	0	36	-1.0	-56.80	339.05	2.49	-54.31
CCN1N=NC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687180	0	33	-1.0	-50.36	308.69	-0.07	-50.43
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)=N1	REAL300007687181	0	40	-1.0	-48.44	344.15	2.84	-45.60
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=NON=C3C=C2)=N1	REAL300007687182	0	32	-1.0	-49.61	313.24	1.66	-47.95
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CC=C3S2)=N1	REAL300007687183	0	34	-1.0	-49.63	337.22	4.30	-45.33
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C3CC3)=NN2C)=N1	REAL300007687184	0	38	-1.0	-48.98	350.31	2.60	-46.38
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)=N1	REAL300007687185	0	40	-1.0	-47.38	346.50	4.92	-42.46
COC1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1OC	REAL300007687186	0	39	-1.0	-50.03	345.86	2.66	-47.37
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=COC3=CC=CC=C23)=N1	REAL300007687187	0	34	-1.0	-50.36	321.29	2.83	-47.53
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C)N=C2C2CCCC2)=N1	REAL300007687188	0	44	-1.0	-50.31	372.87	3.16	-47.15
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687189	0	43	-1.0	-50.18	375.34	3.41	-46.77
CCCCN1C=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(C)=N1	REAL300007687190	0	43	-1.0	-51.33	388.49	3.57	-47.76
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C)N=C2C2CC2)=N1	REAL300007687191	0	38	-1.0	-50.97	342.10	2.26	-48.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OC(F)F)C=C2)=N1	REAL300007687192	0	35	-1.0	-51.11	337.61	2.46	-48.65
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3N=NN(C)C3=CC=C2)=N1	REAL300007687193	0	36	-1.0	-57.46	336.70	1.29	-56.17
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCCC(C)(C)C2)=N1	REAL300007687194	0	42	-1.0	-48.49	352.86	3.29	-45.20
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C)N=C2C2CCC2)=N1	REAL300007687195	0	41	-1.0	-50.47	355.81	2.67	-47.80
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)=N1	REAL300007687196	0	49	-1.0	-48.50	412.58	6.89	-41.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(CC3CCC3)N=C2)=N1	REAL300007687197	0	41	-1.0	-52.25	372.34	3.51	-48.74
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C3CC3)C=CS2)=N1	REAL300007687198	0	35	-1.0	-49.03	329.93	3.85	-45.18
COC1=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C2=NC=CC=C2C=C1	REAL300007687199	0	40	-1.0	-58.07	363.80	4.09	-53.98
CCCC1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687200	0	40	-1.0	-49.15	362.75	5.09	-44.06
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3CCCC3=NN2C)=N1	REAL300007687201	0	38	-1.0	-49.82	344.08	2.39	-47.43
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)=N1	REAL300007687202	0	37	-1.0	-48.49	326.52	2.28	-46.21
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=CC=C2C)=N1	REAL300007687203	0	37	-1.0	-47.87	321.05	4.25	-43.62
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NN2C(C)(C)C)=N1	REAL300007687204	0	40	-1.0	-47.92	344.28	2.89	-45.03
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C(C)(C)C)N=C2)=N1	REAL300007687205	0	40	-1.0	-51.51	362.86	2.59	-48.92
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CNN=C2C2CCC2)=N1	REAL300007687206	0	38	-1.0	-50.80	347.90	1.93	-48.87
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)=N1	REAL300007687207	0	36	-1.0	-49.92	349.28	2.69	-47.23
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=N1	REAL300007687208	0	34	-1.0	-47.97	343.50	3.95	-44.02
CC1=NN(C)C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687209	0	34	-1.0	-49.27	320.54	1.09	-48.18
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C(C)=CC=C2)=N1	REAL300007687210	0	37	-1.0	-48.95	330.60	4.33	-44.62
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687211	0	42	-1.0	-56.52	382.94	4.91	-51.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CC=C3CCC2)=N1	REAL300007687212	0	42	-1.0	-49.34	367.03	5.95	-43.39
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CC3=CC=CC=C3C2)=N1	REAL300007687213	0	37	-1.0	-49.01	340.83	3.32	-45.69
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C2CCC2)=N1	REAL300007687214	0	36	-1.0	-48.47	316.42	1.94	-46.53
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=NOC3=C2COCC3)=N1	REAL300007687215	0	38	-1.0	-56.23	351.43	1.24	-54.99
CC1=C(C(=O)[O-])SC(CNC(=O)N2CCC(F)(F)CC2)=N1	REAL300007687216	0	35	-1.0	-44.95	307.69	4.93	-40.02
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CSC=C2C(F)(F)F)=N1	REAL300007687217	0	31	-1.0	-50.74	317.58	3.30	-47.44
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=N1	REAL300007687217	1	30	-2.0	-99.43	316.14	2.95	-96.48
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(C3CC3)=C2)=N1	REAL300007687218	0	38	-1.0	-49.33	347.58	4.99	-44.34
COC1=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=CS1	REAL300007687219	0	32	-1.0	-49.51	314.18	1.38	-48.13
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NN2C2CCCC2)=N1	REAL300007687220	0	41	-1.0	-49.06	364.42	3.42	-45.64
CCC(C)N1N=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687221	0	40	-1.0	-48.52	358.32	2.77	-45.75
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C(C)(C)C)=N1	REAL300007687222	0	38	-1.0	-47.64	315.41	1.77	-45.87
CCC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)O1	REAL300007687223	0	34	-1.0	-49.30	324.44	2.48	-46.82
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C2CCCCCC2)=N1	REAL300007687224	0	45	-1.0	-47.86	363.97	3.68	-44.18
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)=N1	REAL300007687225	0	37	-1.0	-50.68	351.58	4.41	-46.27
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(OC(F)F)=C2)=N1	REAL300007687226	0	35	-1.0	-51.38	337.61	2.46	-48.92
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)=N1	REAL300007687227	0	46	-1.0	-49.85	393.88	5.55	-44.30
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)S1	REAL300007687228	0	32	-1.0	-48.62	322.15	1.33	-47.29
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)=N1	REAL300007687229	0	42	-1.0	-53.88	369.77	5.17	-48.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC(C(F)(F)F)CC2)=N1	REAL300007687230	0	39	-1.0	-50.62	353.90	3.00	-47.62
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(CCF)N=C2)=N1	REAL300007687231	0	34	-1.0	-51.45	331.03	1.58	-49.87
CCOCC1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687232	0	41	-1.0	-50.85	375.28	3.57	-47.28
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)=N1	REAL300007687233	0	41	-1.0	-50.23	377.02	4.12	-46.11
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C3CCCCC3)N=C2)=N1	REAL300007687234	0	44	-1.0	-50.68	384.76	3.82	-46.86
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2CF)=N1	REAL300007687235	0	34	-1.0	-49.95	318.61	3.95	-46.00
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C)=CN=C2)=N1	REAL300007687236	0	33	-1.0	-49.59	314.82	1.74	-47.85
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)=N1	REAL300007687237	0	40	-1.0	-51.38	357.08	5.77	-45.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)=N1	REAL300007687238	0	41	-1.0	-50.45	365.62	3.79	-46.66
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CC3CC2C3)=N1	REAL300007687239	0	34	-1.0	-49.40	310.10	1.78	-47.62
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C=CC2=CC=C(F)C=C2)=N1	REAL300007687240	0	35	-1.0	-50.46	336.68	4.13	-46.33
CCOCCCS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687241	0	37	-1.0	-53.26	339.23	1.40	-51.86
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2NC(=O)NC2=O)=N1	REAL300007687242	0	36	-1.0	-60.99	342.23	-3.23	-64.22
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C3C=CC=CN23)=N1	REAL300007687243	0	34	-1.0	-52.88	323.86	3.27	-49.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2CCC(F)(F)CC2)=N1	REAL300007687244	0	37	-1.0	-53.70	334.98	3.38	-50.32
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3SC=NC3=C2)=N1	REAL300007687245	0	33	-1.0	-52.18	329.30	2.27	-49.91
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCOC2CCOC2)=N1	REAL300007687246	0	39	-1.0	-52.13	353.15	0.06	-52.07
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2COCCO2)=N1	REAL300007687247	0	36	-1.0	-54.38	327.20	0.07	-54.31
CC1=NC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C(C2=CC=CC=C2)O1	REAL300007687248	0	40	-1.0	-51.84	372.21	2.07	-49.77
CC1=NC(S(=O)(=O)[N-]CC2=NC(C)=C(C(=O)[O-])S2)=C(C2=CC=CC=C2)O1	REAL300007687248	1	39	-2.0	-108.10	370.45	1.70	-106.40
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)=N1	REAL300007687249	0	48	-1.0	-50.97	375.35	5.77	-45.20
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCN2C=NN=N2)=N1	REAL300007687250	0	32	-1.0	-58.90	313.15	0.75	-58.15
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CC(C)(C)CO2)=N1	REAL300007687251	0	41	-1.0	-54.17	358.50	2.38	-51.79
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CS(=O)(=O)C2)=N1	REAL300007687252	0	34	-1.0	-60.49	329.36	-1.44	-61.93
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC(C)(C)C(C)(F)F)=N1	REAL300007687253	0	39	-1.0	-50.12	337.36	3.34	-46.78
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCCCS(C)(=O)=O)=N1	REAL300007687254	0	39	-1.0	-62.36	368.84	-0.31	-62.67
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCC(C)(C)CO2)=N1	REAL300007687255	0	44	-1.0	-52.70	373.08	3.02	-49.68
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)=N1	REAL300007687256	0	41	-1.0	-51.39	368.89	5.17	-46.22
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC3=NSN=C32)=N1	REAL300007687257	0	35	-1.0	-55.90	346.34	1.92	-53.98
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)=N1	REAL300007687258	0	40	-1.0	-55.84	350.82	0.34	-55.50
COCCC1(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300007687259	0	38	-1.0	-50.84	332.95	1.73	-49.11
CCN1N=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=N1	REAL300007687260	0	33	-1.0	-51.49	319.07	-0.25	-51.74
CCN1N=CC(S(=O)(=O)[N-]CC2=NC(C)=C(C(=O)[O-])S2)=N1	REAL300007687260	1	32	-2.0	-99.05	316.84	-0.64	-99.69
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)=N1	REAL300007687261	0	44	-1.0	-51.05	365.94	4.88	-46.17
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C3CC3)S2)=N1	REAL300007687262	0	35	-1.0	-48.44	342.18	4.19	-44.25
COC1=CC=C(C=C(C)S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007687263	0	42	-1.0	-50.67	372.33	3.87	-46.80
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687264	0	36	-1.0	-53.33	326.73	-0.19	-53.52
CC1=COC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687265	0	31	-1.0	-49.60	302.95	1.55	-48.05
CC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)O1	REAL300007687266	0	31	-1.0	-49.66	302.96	1.69	-47.97
CCC1=NNC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687267	0	34	-1.0	-50.87	320.99	0.59	-50.28
COC1=CSC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1OC	REAL300007687268	0	36	-1.0	-50.72	352.25	1.56	-49.16
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)=N1	REAL300007687269	0	43	-1.0	-48.34	358.82	3.33	-45.01
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)CCC2=CC=CC=C2)=N1	REAL300007687270	0	42	-1.0	-50.40	378.31	4.78	-45.62
COC1=CC(F)=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(F)=C1	REAL300007687271	0	35	-1.0	-49.98	336.33	2.46	-47.52
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(C)=C(C(=O)[O-])S2)C(F)=C1	REAL300007687271	1	34	-2.0	-102.86	334.11	2.08	-100.78
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=N1	REAL300007687272	0	35	-1.0	-50.85	343.86	2.53	-48.32
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3C=CC=CC3=NN2C)=N1	REAL300007687273	0	37	-1.0	-49.91	341.76	2.87	-47.04
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3C(=C2)C=CN3C)=N1	REAL300007687274	0	38	-1.0	-52.60	352.07	4.64	-47.96
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2C(C)(F)F)=N1	REAL300007687275	0	37	-1.0	-54.10	335.12	4.88	-49.22
C=C(C)COC1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687276	0	42	-1.0	-51.46	382.03	4.50	-46.96
CCN1C=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(C2CC2)=N1	REAL300007687277	0	41	-1.0	-50.71	363.64	3.12	-47.59
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=CC3=NSN=C32)=N1	REAL300007687278	0	35	-1.0	-52.64	336.38	2.26	-50.38
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=N1	REAL300007687279	0	37	-1.0	-49.39	361.00	5.66	-43.73
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CSC(C(F)(F)F)=N2)=N1	REAL300007687280	0	30	-1.0	-52.30	325.70	0.85	-51.45
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=N1	REAL300007687280	1	29	-2.0	-97.10	323.46	0.49	-96.61
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687281	0	44	-1.0	-48.98	386.34	4.00	-44.98
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(Cl)OC=C2)=N1	REAL300007687282	0	28	-1.0	-48.32	288.63	1.01	-47.31
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)=N1	REAL300007687282	1	27	-2.0	-97.04	294.90	1.01	-96.03
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(Cl)=CS2)=N1	REAL300007687283	0	28	-1.0	-47.66	307.17	2.39	-45.27
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=N1	REAL300007687284	0	37	-1.0	-49.58	345.71	5.19	-44.39
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3COCCC3=NN2C)=N1	REAL300007687285	0	39	-1.0	-49.21	349.04	0.55	-48.66
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2C2CC2)=N1	REAL300007687286	0	38	-1.0	-49.38	341.22	5.11	-44.27
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC(C)(C)CC2)=N1	REAL300007687287	0	42	-1.0	-47.86	348.90	2.85	-45.01
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687288	0	34	-1.0	-47.93	333.50	0.59	-47.34
COC1=NC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1C	REAL300007687289	0	37	-1.0	-49.61	345.68	0.30	-49.31
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(CC(C)C)N=C2)=N1	REAL300007687290	0	40	-1.0	-51.07	361.32	3.03	-48.04
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687291	0	40	-1.0	-50.96	364.18	2.54	-48.42
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCN(CC(F)F)CC2)=N1	REAL300007687292	0	41	-1.0	-50.63	360.60	0.65	-49.98
COCC1=CC(CS(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=NO1	REAL300007687293	0	37	-1.0	-56.50	352.73	0.75	-55.75
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)=N1	REAL300007687294	0	42	-1.0	-49.50	368.01	3.46	-46.04
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NN2C(C)C)=N1	REAL300007687295	0	37	-1.0	-48.67	340.08	2.14	-46.53
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NN2CC2CC2)=N1	REAL300007687296	0	38	-1.0	-48.81	346.82	3.01	-45.80
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=N1	REAL300007687297	0	38	-1.0	-51.61	349.53	4.18	-47.43
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(F)F)C=N2)=N1	REAL300007687298	0	33	-1.0	-52.49	326.55	1.81	-50.68
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC3=CC=CN=C32)=N1	REAL300007687299	0	36	-1.0	-52.42	333.50	3.26	-49.16
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)N(C(C)C)N=C2)=N1	REAL300007687300	0	40	-1.0	-50.82	361.64	2.68	-48.14
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=NC=CC3=CC=CC=C32)=N1	REAL300007687301	0	36	-1.0	-52.90	332.23	3.53	-49.37
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=NC=C(C)C=C2C)=N1	REAL300007687302	0	36	-1.0	-50.34	328.63	2.62	-47.72
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NC=C2C)=N1	REAL300007687303	0	33	-1.0	-48.74	308.77	1.98	-46.76
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CC=C(Br)CC2)=N1	REAL300007687304	0	34	-1.0	-49.21	329.81	2.60	-46.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C2CCS(=O)(=O)C2)=N1	REAL300007687305	0	39	-1.0	-57.59	356.03	-1.32	-58.91
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CC3CCC(C2)O3)=N1	REAL300007687306	0	38	-1.0	-48.56	329.79	1.01	-47.55
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC(C#N)CC2)=N1	REAL300007687307	0	37	-1.0	-54.59	336.67	2.37	-52.22
COC1=CC=NC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007687308	0	34	-1.0	-52.18	323.95	0.30	-51.88
C=CCN(CC=C)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687309	0	37	-1.0	-48.27	338.87	2.78	-45.49
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(C(F)F)=C1	REAL300007687310	0	38	-1.0	-52.69	347.84	3.66	-49.03
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)N=C1	REAL300007687311	0	34	-1.0	-50.16	321.03	0.45	-49.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=NC=CC=C2C)=N1	REAL300007687312	0	33	-1.0	-52.09	302.26	1.48	-50.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NC3=CC=CC=C32)=N1	REAL300007687313	0	36	-1.0	-50.72	334.98	3.32	-47.40
CCOC1=CC=CN=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007687314	0	37	-1.0	-53.99	343.26	2.18	-51.81
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)=N1	REAL300007687315	0	39	-1.0	-53.90	348.32	4.54	-49.36
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=NC(C)=C2)=N1	REAL300007687316	0	33	-1.0	-49.35	315.16	1.69	-47.66
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CNC3=CC=CC=C23)=N1	REAL300007687317	0	35	-1.0	-51.92	324.96	2.52	-49.40
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC(F)(F)C2)=N1	REAL300007687318	0	33	-1.0	-49.69	315.36	1.37	-48.32
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=CS2)=N1	REAL300007687319	0	27	-1.0	-49.37	284.94	0.00	-49.37
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=CN=CS2)=N1	REAL300007687319	1	26	-2.0	-95.89	282.71	-0.39	-96.28
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C(F)F)=CC=N2)=N1	REAL300007687320	0	33	-1.0	-55.07	328.57	1.92	-53.15
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C)=CC=C2OC(C)C)=N1	REAL300007687321	0	44	-1.0	-50.16	380.03	4.90	-45.26
CCCCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007687322	0	39	-1.0	-58.86	339.54	4.97	-53.89
CCCCC(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300007687323	0	46	-1.0	-53.55	377.17	7.13	-46.42
CCCCC(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007687324	0	31	-1.0	-51.02	308.00	4.21	-46.81
CCCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007687325	0	41	-1.0	-44.21	330.82	5.36	-38.85
CCCCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007687326	0	37	-1.0	-39.72	329.58	5.99	-33.73
CCCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007687327	0	38	-1.0	-42.89	323.09	5.08	-37.81
CCCCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007687328	0	40	-1.0	-59.15	359.19	2.06	-57.09
CCCCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007687329	0	38	-1.0	-40.73	345.30	4.41	-36.32
CCCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007687330	0	45	-1.0	-56.28	368.94	4.59	-51.69
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007687331	0	37	-1.0	-39.58	327.18	5.94	-33.64
CCCCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007687332	0	45	-1.0	-52.85	347.56	4.75	-48.10
CCCCC(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007687333	0	40	-1.0	-55.19	333.02	3.51	-51.68
CCCCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007687334	0	50	-1.0	-53.04	400.14	8.37	-44.67
CCCCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007687335	0	40	-1.0	-53.49	342.72	3.72	-49.77
CCCCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007687336	0	34	-1.0	-41.54	309.85	5.22	-36.32
CCCCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007687337	0	34	-1.0	-50.77	319.58	5.19	-45.58
CCCCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687338	0	39	-1.0	-46.94	328.96	6.87	-40.07
CCCCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007687339	0	40	-1.0	-40.98	356.53	6.55	-34.43
CCCCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007687340	0	44	-1.0	-44.71	377.42	1.09	-43.62
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007687341	0	45	-1.0	-51.96	380.70	6.40	-45.56
CCCCC(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007687342	0	37	-1.0	-44.06	327.13	5.35	-38.71
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007687343	0	40	-1.0	-53.24	345.04	5.08	-48.16
CCCCC(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007687344	0	41	-1.0	-54.29	353.33	4.30	-49.99
CCCCC(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300007687345	0	40	-1.0	-43.02	348.34	2.24	-40.78
CCCCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007687346	0	43	-1.0	-66.47	383.31	2.77	-63.70
CCCCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007687347	0	39	-1.0	-48.86	346.85	0.61	-48.25
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007687348	0	44	-1.0	-54.79	356.30	5.30	-49.49
CCCCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007687349	0	39	-1.0	-41.33	337.21	4.94	-36.39
CCCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007687350	0	37	-1.0	-55.61	343.42	5.87	-49.74
CCCCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007687351	0	39	-1.0	-46.21	338.01	4.97	-41.24
CCCCC(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007687352	0	43	-1.0	-41.29	343.00	2.55	-38.74
CCCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007687353	0	43	-1.0	-50.57	367.70	5.79	-44.78
CCCCC(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300007687354	0	43	-1.0	-51.01	355.43	4.39	-46.62
CCCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007687355	0	40	-1.0	-45.40	344.06	3.71	-41.69
CCCCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007687356	0	43	-1.0	-60.26	360.60	6.15	-54.11
CCCCC(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007687357	0	40	-1.0	-59.87	341.74	5.27	-54.60
CCCCC(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007687358	0	40	-1.0	-50.16	340.84	3.01	-47.15
CCCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007687359	0	46	-1.0	-44.68	345.13	7.32	-37.36
CCCCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007687360	0	42	-1.0	-68.83	364.92	3.94	-64.89
CCCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007687361	0	42	-1.0	-53.08	368.35	4.27	-48.81
CCCCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007687362	0	37	-1.0	-54.15	337.98	5.73	-48.42
CCCCC(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007687363	0	37	-1.0	-51.31	315.45	5.41	-45.90
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007687364	0	40	-1.0	-52.97	352.26	7.27	-45.70
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007687365	0	39	-1.0	-39.21	347.43	6.70	-32.51
CCCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007687366	0	38	-1.0	-51.63	343.70	4.21	-47.42
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007687367	0	41	-1.0	-53.95	362.92	5.92	-48.03
CCCCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007687368	0	49	-1.0	-54.70	394.43	5.95	-48.75
CCCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007687369	0	37	-1.0	-53.02	330.68	5.41	-47.61
CCCCC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007687370	0	45	-1.0	-46.35	366.40	4.13	-42.22
CC1(C)CN(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CCO1	REAL300007689001	0	48	-1.0	-55.63	393.71	4.21	-51.42
CC1=NOC(CS(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007689002	0	41	-1.0	-46.48	364.00	5.02	-41.46
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCC1CCCO1	REAL300007689003	0	46	-1.0	-61.19	389.46	4.79	-56.40
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007689004	0	44	-1.0	-50.18	365.56	3.44	-46.74
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCOCC1CCCC1	REAL300007689005	0	52	-1.0	-47.49	426.91	6.61	-40.88
COC(C)CS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689006	0	42	-1.0	-61.34	364.32	3.71	-57.63
CN1N=CC2=CC(S(=O)(=O)NC(CC3=CNC4=CC=CC=C34)C(=O)[O-])=CN=C21	REAL300007689007	0	44	-1.0	-54.44	391.98	5.15	-49.29
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007689008	0	46	-1.0	-59.72	390.52	6.23	-53.49
CC1(CS(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CCCCC1	REAL300007689009	0	51	-1.0	-58.53	397.54	7.48	-51.05
CN1N=NC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689010	0	38	-1.0	-47.18	337.02	2.55	-44.63
CC1=CC=C(CS(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(F)=C1	REAL300007689011	0	45	-1.0	-64.57	398.18	7.41	-57.16
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCC1CCC1	REAL300007689012	0	45	-1.0	-58.18	381.27	6.55	-51.63
CC(C)(C)CCCS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689013	0	50	-1.0	-45.96	405.38	7.08	-38.88
CC1=C(CCS(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])SC=N1	REAL300007689014	0	44	-1.0	-57.66	396.68	5.26	-52.40
COCC1(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007689015	0	43	-1.0	-49.42	372.30	4.78	-44.64
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC12CCC(CC1)C2	REAL300007689016	0	49	-1.0	-46.73	388.76	7.50	-39.23
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC1CC(F)(F)C1	REAL300007689017	0	42	-1.0	-57.91	372.74	5.98	-51.93
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007689018	0	52	-1.0	-46.80	397.36	8.12	-38.68
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCC1CCOC1	REAL300007689019	0	46	-1.0	-46.24	381.47	4.65	-41.59
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007689020	0	46	-1.0	-57.38	399.26	8.18	-49.20
CN1C=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300007689021	0	39	-1.0	-53.94	347.32	3.66	-50.28
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007689022	0	39	-1.0	-55.18	364.58	6.53	-48.65
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007689023	0	41	-1.0	-52.69	376.07	6.68	-46.01
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007689024	0	45	-1.0	-60.53	393.70	8.27	-52.26
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007689025	0	41	-1.0	-52.27	375.83	6.69	-45.58
COC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007689026	0	43	-1.0	-57.50	377.09	5.32	-52.18
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007689027	0	41	-1.0	-53.96	355.54	7.60	-46.36
CC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007689028	0	42	-1.0	-59.86	369.26	6.67	-53.19
CCOC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007689029	0	46	-1.0	-57.12	398.95	6.25	-50.87
CC1=CC(C)=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(C)=C1	REAL300007689030	0	48	-1.0	-59.38	396.14	8.26	-51.12
CC1=CC=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007689031	0	42	-1.0	-59.42	368.98	6.69	-52.73
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C=CC1=CC=CC=C1	REAL300007689032	0	43	-1.0	-51.01	376.30	7.39	-43.62
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007689033	0	39	-1.0	-54.58	364.34	6.54	-48.04
CC(=O)C1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007689034	0	44	-1.0	-56.05	388.83	6.44	-49.61
CC1=CC=C(C)C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007689035	0	45	-1.0	-47.26	375.62	7.60	-39.66
CC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1C	REAL300007689036	0	45	-1.0	-60.52	386.00	7.22	-53.30
CC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(C)=C1	REAL300007689037	0	45	-1.0	-47.26	375.64	7.61	-39.65
CC(C)C1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007689038	0	48	-1.0	-58.99	400.27	7.66	-51.33
CCCCS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689039	0	41	-1.0	-45.90	350.15	5.39	-40.51
CCCC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007689040	0	48	-1.0	-59.00	412.00	8.24	-50.76
COC1=CC=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689041	0	43	-1.0	-49.47	354.79	6.27	-43.20
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC1=CC=CC=C1	REAL300007689042	0	42	-1.0	-59.76	371.20	6.73	-53.03
CC1=NNC(C)=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689043	0	42	-1.0	-53.34	361.60	3.73	-49.61
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007689044	0	49	-1.0	-61.00	410.56	8.50	-52.50
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007689045	0	46	-1.0	-60.99	393.18	7.93	-53.06
CC1=NOC(C)=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689046	0	41	-1.0	-50.30	359.31	4.91	-45.39
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007689047	0	47	-1.0	-59.29	399.48	8.46	-50.83
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007689048	0	44	-1.0	-59.60	383.84	5.85	-53.75
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CCCCCC1	REAL300007689049	0	47	-1.0	-57.40	378.09	6.06	-51.34
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CCCCC1	REAL300007689050	0	44	-1.0	-47.51	365.27	5.39	-42.12
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CCCC1	REAL300007689051	0	41	-1.0	-47.58	346.90	4.54	-43.04
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007689052	0	48	-1.0	-48.78	402.00	7.27	-41.51
CC1CCN(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007689053	0	47	-1.0	-46.77	383.75	6.01	-40.76
CC1CC(C)CN(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300007689054	0	50	-1.0	-47.00	380.49	6.20	-40.80
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007689055	0	45	-1.0	-53.02	385.51	8.54	-44.48
CC1=CC=C(F)C=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689056	0	42	-1.0	-45.46	363.47	7.08	-38.38
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CC(C)N(C)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689071	0	43	-1.0	-45.49	352.52	4.62	-40.87
CCCN(CCC)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689072	0	49	-1.0	-46.95	401.08	6.42	-40.53
COCCN(CCOC)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689073	0	51	-1.0	-47.05	418.46	3.40	-43.65
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CC(C1CC1)N(C)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689103	0	47	-1.0	-46.90	378.36	5.97	-40.93
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COC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300007689113	0	42	-1.0	-56.49	374.88	2.70	-53.79
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CC1=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])SC=C1	REAL300007689117	0	39	-1.0	-45.96	342.69	5.45	-40.51
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CC1=NN(C)C=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689124	0	42	-1.0	-49.88	361.93	4.34	-45.54
CC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300007689125	0	39	-1.0	-49.86	347.07	5.00	-44.86
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COC1=CN=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007689136	0	42	-1.0	-57.32	372.18	3.47	-53.85
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CC1(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007689143	0	39	-1.0	-47.13	339.36	5.40	-41.73
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CC1=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=CC=C1Cl	REAL300007689158	0	42	-1.0	-55.42	383.06	7.12	-48.30
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007689159	0	45	-1.0	-73.14	395.68	7.00	-66.14
CCC1(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007689160	0	42	-1.0	-45.12	347.33	5.84	-39.28
COC(CS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCCC1	REAL300007689161	0	52	-1.0	-59.67	420.72	6.37	-53.30
CC1(C)CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CO1	REAL300007689162	0	46	-1.0	-55.71	377.82	4.37	-51.34
CCOC(CS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300007689163	0	49	-1.0	-47.75	406.20	6.46	-41.29
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007689164	0	42	-1.0	-56.54	381.81	5.28	-51.26
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689165	0	46	-1.0	-47.65	388.85	5.99	-41.66
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300007689166	0	40	-2.0	-149.18	372.53	4.81	-144.37
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300007689166	1	41	-1.0	-56.61	371.78	5.19	-51.42
COC1=C(F)C=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689167	0	43	-1.0	-52.92	363.44	6.71	-46.21
C=CCCC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007689168	0	49	-1.0	-58.87	425.05	8.79	-50.08
CCC1=NN(C)C=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689169	0	45	-1.0	-52.67	380.96	4.97	-47.70
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCCC1CC1	REAL300007689170	0	45	-1.0	-57.64	385.91	6.84	-50.80
CCCC1=CC=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689171	0	48	-1.0	-47.58	395.80	8.64	-38.94
COC1=NC=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689172	0	42	-1.0	-51.00	354.46	3.30	-47.70
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007689173	0	44	-1.0	-52.22	375.86	6.50	-45.72
CC1=NC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])N1C	REAL300007689174	0	42	-1.0	-56.14	355.44	4.70	-51.44
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC=N1	REAL300007689175	0	38	-1.0	-52.05	340.57	4.30	-47.75
CC1=CSC(C)=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689176	0	42	-1.0	-45.58	364.83	6.82	-38.76
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007689177	0	46	-1.0	-60.59	389.66	5.38	-55.21
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007689178	0	46	-1.0	-48.72	386.81	5.91	-42.81
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007689179	0	46	-1.0	-52.81	384.03	6.22	-46.59
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689180	0	44	-1.0	-69.45	388.98	5.63	-63.82
CCN1N=NC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689181	0	41	-1.0	-47.68	360.18	3.47	-44.21
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007689182	0	48	-1.0	-49.80	388.32	5.83	-43.97
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007689183	0	40	-1.0	-55.07	362.64	4.79	-50.28
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689184	0	46	-1.0	-54.65	400.31	5.77	-48.88
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300007689185	0	42	-1.0	-50.26	359.47	5.94	-44.32
CN1C=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(C2CC2)=N1	REAL300007689186	0	46	-1.0	-52.18	401.26	6.05	-46.13
CN1N=NC2=C(S(=O)(=O)NC(CC3=CNC4=CC=CC=C34)C(=O)[O-])C=CC=C21	REAL300007689187	0	44	-1.0	-61.54	376.03	4.57	-56.97
CC1(C)CCCN(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300007689188	0	50	-1.0	-47.26	398.94	6.60	-40.66
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007689189	0	43	-1.0	-47.95	378.34	7.41	-40.54
CCCC1=CC=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007689190	0	48	-1.0	-59.11	412.22	8.21	-50.90
CN1N=C2CCCC2=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689191	0	46	-1.0	-51.76	389.97	5.69	-46.07
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007689192	0	45	-1.0	-48.52	373.07	5.60	-42.92
CC1=CC=CC(C)=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689193	0	45	-1.0	-57.92	372.43	7.47	-50.45
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689194	0	48	-1.0	-48.03	388.32	5.75	-42.28
CC(C)(C)N1C=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300007689195	0	48	-1.0	-55.79	402.73	5.37	-50.42
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007689196	0	46	-1.0	-49.45	393.68	5.25	-44.20
CC1=NN(C)C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007689197	0	42	-1.0	-54.73	357.23	3.81	-50.92
CC1=CC=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1C	REAL300007689198	0	45	-1.0	-48.51	374.26	7.40	-41.11
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007689199	0	45	-1.0	-50.16	386.11	6.61	-43.55
CN(C1CCC1)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689200	0	44	-1.0	-56.69	356.95	4.59	-52.10
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)N1CCC(F)(F)CC1	REAL300007689201	0	43	-1.0	-59.46	357.45	8.36	-51.10
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007689202	0	46	-1.0	-58.87	397.08	8.12	-50.75
COC1=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=CS1	REAL300007689203	0	40	-1.0	-47.13	353.42	4.75	-42.38
CCC(C)N1N=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689204	0	48	-1.0	-47.38	400.00	5.65	-41.73
CN(C(C)(C)C)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689205	0	46	-1.0	-46.80	370.56	5.57	-41.23
CCC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300007689206	0	42	-1.0	-49.81	368.50	5.79	-44.02
CN(C1CCCCCC1)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689207	0	53	-1.0	-47.51	414.06	7.04	-40.47
COC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300007689208	0	40	-1.0	-47.90	368.50	4.63	-43.27
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007689209	0	42	-1.0	-53.83	372.64	4.39	-49.44
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC=C1CF	REAL300007689210	0	42	-1.0	-46.81	362.89	7.17	-39.64
CC1=CN=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007689211	0	41	-1.0	-59.85	364.30	4.85	-55.00
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CC2CC1C2	REAL300007689212	0	42	-1.0	-58.79	351.56	4.51	-54.28
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007689213	0	43	-1.0	-48.24	382.71	7.44	-40.80
CCOCCCS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689214	0	45	-1.0	-44.86	383.03	4.66	-40.20
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007689215	0	44	-1.0	-46.06	385.98	0.04	-46.02
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007689216	0	42	-1.0	-59.75	362.23	6.05	-53.70
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1CCC(F)(F)CC1	REAL300007689217	0	45	-1.0	-57.19	375.89	6.11	-51.08
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCOC1CCOC1	REAL300007689218	0	47	-1.0	-56.51	402.25	3.21	-53.30
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC1COCCO1	REAL300007689219	0	44	-1.0	-48.12	372.09	3.34	-44.78
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCN1C=NN=N1	REAL300007689220	0	40	-1.0	-55.49	358.10	4.01	-51.48
CC1(C)COC(CS(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300007689221	0	49	-1.0	-49.81	403.92	5.43	-44.38
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007689222	0	42	-1.0	-50.08	374.30	1.82	-48.26
CC(C)(CS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C(C)(F)F	REAL300007689223	0	47	-1.0	-57.97	386.68	6.45	-51.52
CC1(C)CCC(CS(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])OC1	REAL300007689224	0	52	-1.0	-47.16	414.24	6.46	-40.70
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007689225	0	49	-1.0	-57.68	418.22	8.29	-49.39
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007689226	0	48	-1.0	-47.52	394.78	3.58	-43.94
COCCC1(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007689227	0	46	-1.0	-46.57	382.06	4.91	-41.66
CCN1N=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300007689228	0	41	-1.0	-59.47	369.76	2.90	-56.57
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300007689228	1	40	-2.0	-139.42	361.13	3.29	-136.13
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007689229	0	52	-1.0	-47.27	410.93	8.14	-39.13
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007689230	0	43	-1.0	-50.01	388.53	7.50	-42.51
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689231	0	44	-1.0	-59.64	366.02	2.53	-57.11
CC1=COC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007689232	0	39	-1.0	-50.62	349.32	4.87	-45.75
CC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300007689233	0	39	-1.0	-49.86	347.07	5.00	-44.86
CCC1=NNC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689234	0	42	-1.0	-48.44	364.39	3.80	-44.64
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007689235	0	51	-1.0	-47.24	397.93	6.53	-40.71
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689236	0	45	-1.0	-53.06	389.13	6.13	-46.93
CN1C=CC2=CC(S(=O)(=O)NC(CC3=CNC4=CC=CC=C34)C(=O)[O-])=CC=C21	REAL300007689237	0	46	-1.0	-64.66	401.25	7.78	-56.88
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=C(Cl)OC=C1	REAL300007689238	0	36	-1.0	-47.15	326.61	4.20	-42.95
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007689239	0	36	-1.0	-44.37	353.55	5.68	-38.69
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007689240	0	46	-1.0	-48.97	385.78	8.34	-40.63
CC1(C)CCN(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007689241	0	50	-1.0	-43.61	382.53	5.85	-37.76
COC1=NC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1C	REAL300007689242	0	45	-1.0	-54.59	395.17	3.42	-51.17
CC(C)CN1C=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300007689243	0	48	-1.0	-54.50	416.12	6.16	-48.34
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689244	0	48	-1.0	-52.27	410.45	5.86	-46.41
COCC1=CC(CS(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=NO1	REAL300007689245	0	45	-1.0	-58.64	402.04	3.87	-54.77
CC(C)N1N=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689246	0	45	-1.0	-55.44	378.47	4.83	-50.61
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007689247	0	46	-1.0	-46.88	387.47	5.89	-40.99
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007689248	0	41	-1.0	-62.43	376.96	5.00	-57.43
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007689249	0	44	-1.0	-55.22	378.62	6.53	-48.69
CC1=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=NN1C(C)C	REAL300007689250	0	48	-1.0	-49.17	404.69	5.74	-43.43
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007689251	0	44	-1.0	-57.66	381.34	6.67	-50.99
CC1=CN=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(C)=C1	REAL300007689252	0	44	-1.0	-54.30	377.25	5.77	-48.53
CC1=CN=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689253	0	41	-1.0	-44.92	349.25	5.10	-39.82
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CC2CCC(C1)O2	REAL300007689254	0	46	-1.0	-44.37	359.53	3.90	-40.47
N#CC1CCN(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300007689255	0	45	-1.0	-43.02	346.89	5.26	-37.76
COC1=CC=NC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007689256	0	42	-1.0	-61.94	373.38	3.42	-58.52
C=CCN(CC=C)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689257	0	45	-1.0	-47.13	388.81	6.02	-41.11
COC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])N=C1	REAL300007689258	0	42	-1.0	-52.16	370.13	3.54	-48.62
CC1=CC=CN=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689259	0	41	-1.0	-66.75	360.34	4.98	-61.77
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007689260	0	44	-1.0	-49.81	376.23	6.45	-43.36
CCOC1=CC=CN=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007689261	0	45	-1.0	-65.41	390.72	5.33	-60.08
CC1=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=CC=N1	REAL300007689262	0	41	-1.0	-55.57	364.48	4.85	-50.72
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007689263	0	43	-1.0	-60.79	377.10	6.17	-54.62
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CCC(F)(F)C1	REAL300007689264	0	41	-1.0	-56.19	356.84	4.02	-52.17
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CN=CS1	REAL300007689265	0	35	-1.0	-54.75	335.05	3.17	-51.58
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007689266	0	41	-1.0	-66.30	378.01	5.02	-61.28
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CC=CC=C1)CC2	REAL300007689267	0	47	-1.0	-68.91	374.84	7.59	-61.32
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)N(C)C)CC2	REAL300007689268	0	45	-1.0	-67.39	348.49	5.60	-61.79
CCCCS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689269	0	49	-1.0	-63.54	381.02	6.71	-56.83
CCS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689270	0	43	-1.0	-64.46	334.23	5.45	-59.01
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(C)(=O)=O)CC2	REAL300007689271	0	40	-1.0	-62.99	316.56	4.25	-58.74
CCCS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689272	0	46	-1.0	-63.37	359.53	5.93	-57.44
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CC=CS1)CC2	REAL300007689273	0	44	-1.0	-62.82	374.20	6.72	-56.10
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CN(C)N=C1)CC2	REAL300007689274	0	47	-1.0	-67.95	375.52	5.14	-62.81
CCN(CC)S(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689275	0	51	-1.0	-65.22	383.74	6.41	-58.81
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CNN=C1C)CC2	REAL300007689276	0	47	-1.0	-60.04	382.69	4.75	-55.29
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CCC1CC1)CC2	REAL300007689277	0	50	-1.0	-46.02	381.46	6.50	-39.52
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CC1=NOC=C1)CC2	REAL300007689278	0	46	-1.0	-73.29	373.89	5.58	-67.71
CCC(C)CS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689279	0	52	-1.0	-65.19	390.94	7.61	-57.58
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CCC(C)(C)C)CC2	REAL300007689280	0	55	-1.0	-63.77	414.76	7.64	-56.13
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)N1CCC(C)C1)CC2	REAL300007689281	0	52	-1.0	-69.15	395.21	7.29	-61.86
CCN(C)S(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689282	0	48	-1.0	-67.96	361.48	5.98	-61.98
CCCN(C)S(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689283	0	51	-1.0	-68.16	382.97	6.72	-61.44
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CC(C)OC)CC2	REAL300007689284	0	50	-1.0	-67.96	387.15	5.40	-62.56
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CN=NN1C)CC2	REAL300007689285	0	46	-1.0	-55.31	375.71	3.96	-51.35
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CCC1CCC1)CC2	REAL300007689286	0	53	-1.0	-64.14	407.76	8.01	-56.13
COCC1(S(=O)(=O)N2CCC3=CC(OC)=C(OC)C=C3C2CC(=O)[O-])CC1	REAL300007689287	0	51	-1.0	-67.11	397.40	6.49	-60.62
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=NN(C)C=C1)CC2	REAL300007689288	0	47	-1.0	-68.34	387.11	5.26	-63.08
CCS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689289	0	43	-1.0	-64.46	334.23	5.45	-59.01
CCCCS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689290	0	49	-1.0	-63.54	381.02	6.71	-56.83
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)N1CCCCC1)CC2	REAL300007689291	0	52	-1.0	-62.11	394.98	6.64	-55.47
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)N1CCCC1)CC2	REAL300007689292	0	49	-1.0	-69.52	373.67	6.68	-62.84
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CN(C)C=N1)CC2	REAL300007689293	0	47	-1.0	-67.85	386.29	6.81	-61.04
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CC=CN=C1)CC2	REAL300007689294	0	46	-1.0	-66.76	367.18	5.61	-61.15
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)N(C)C(C)C)CC2	REAL300007689295	0	51	-1.0	-69.10	381.47	6.77	-62.33
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1CC1)CC2	REAL300007689296	0	44	-1.0	-64.50	355.32	6.24	-58.26
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CC1CCCC1)CC2	REAL300007689297	0	53	-1.0	-64.44	401.92	7.83	-56.61
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CSC=C1)CC2	REAL300007689298	0	44	-1.0	-41.50	348.16	5.22	-36.28
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)N(C)C1CC1)CC2	REAL300007689299	0	49	-1.0	-54.99	372.48	4.95	-50.04
COCCS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689300	0	47	-1.0	-61.47	371.70	4.22	-57.25
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CC1CCCO1)CC2	REAL300007689301	0	51	-1.0	-70.27	402.06	6.09	-64.18
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CC1CC1)CC2	REAL300007689302	0	47	-1.0	-45.98	373.84	5.92	-40.06
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CC=NN1C)CC2	REAL300007689303	0	47	-1.0	-58.89	379.95	5.28	-53.61
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CC1CCOC1)CC2	REAL300007689304	0	51	-1.0	-45.95	397.43	4.49	-41.46
CCCCCS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689305	0	52	-1.0	-63.47	402.52	7.49	-55.98
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)N(C)CC1CC1)CC2	REAL300007689306	0	52	-1.0	-62.56	411.02	7.28	-55.28
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CC=CO1)CC2	REAL300007689307	0	44	-1.0	-48.02	361.25	4.65	-43.37
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=COC=C1)CC2	REAL300007689308	0	44	-1.0	-65.99	355.00	5.32	-60.67
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1CCOC1)CC2	REAL300007689309	0	48	-1.0	-64.28	369.77	4.87	-59.41
C=CCCS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689310	0	47	-1.0	-62.73	372.34	6.49	-56.24
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CNC=N1)CC2	REAL300007689311	0	44	-1.0	-53.36	359.81	4.06	-49.30
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CCCF)CC2	REAL300007689312	0	46	-1.0	-64.91	366.11	6.07	-58.84
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CCCCF)CC2	REAL300007689313	0	49	-1.0	-63.07	387.61	6.85	-56.22
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CC=C(C)O1)CC2	REAL300007689314	0	47	-1.0	-48.55	383.17	5.47	-43.08
C=C(C)CS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689315	0	47	-1.0	-63.10	372.37	6.39	-56.71
C=CCCCS(=O)(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300007689316	0	50	-1.0	-63.76	393.84	7.27	-56.49
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CC1CCC1)CC2	REAL300007689317	0	50	-1.0	-65.91	394.38	7.52	-58.39
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1(C)CC1)CC2	REAL300007689318	0	47	-1.0	-55.40	369.52	6.38	-49.02
CCC1(S(=O)(=O)N2CCC3=CC(OC)=C(OC)C=C3C2CC(=O)[O-])CC1	REAL300007689319	0	50	-1.0	-65.50	384.02	7.68	-57.82
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)CCCC1CC1)CC2	REAL300007689320	0	53	-1.0	-63.76	412.64	8.28	-55.48
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CC=CC=N1)CC2	REAL300007689321	0	46	-1.0	-65.27	378.10	5.83	-59.44
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)N(C)C1CCC1)CC2	REAL300007689322	0	52	-1.0	-66.31	393.16	6.68	-59.63
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)N1CCC(F)(F)CC1)CC2	REAL300007689323	0	51	-1.0	-63.25	383.00	9.16	-54.09
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)N1CC3CC1C3)CC2	REAL300007689324	0	50	-1.0	-64.69	392.15	6.52	-58.17
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CC(C)=CO1)CC2	REAL300007689325	0	47	-1.0	-48.09	383.16	5.34	-42.75
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CC=C(C)O1)CC2	REAL300007689326	0	47	-1.0	-48.55	383.17	5.47	-43.08
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(S(=O)(=O)C1=CN=CS1)CC2	REAL300007689327	0	43	-1.0	-59.74	368.85	4.83	-54.91
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(F)=C2)CCCCCC1	REAL300007689328	0	38	-1.0	-44.94	285.79	5.43	-39.51
CC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689329	0	43	-1.0	-55.15	322.26	5.87	-49.28
CCCCN(C)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689330	0	45	-1.0	-39.75	318.78	5.88	-33.87
O=C([O-])C1(NS(=O)(=O)C2=CC=CS2)CCCCCC1	REAL300007689331	0	35	-1.0	-41.12	270.35	4.44	-36.68
CCC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689332	0	50	-1.0	-44.38	357.82	7.94	-36.44
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300007689333	0	38	-1.0	-42.50	292.46	5.22	-37.28
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)S2)CCCCCC1	REAL300007689334	0	35	-1.0	-37.88	286.88	5.06	-32.82
COC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689335	0	45	-1.0	-56.14	317.36	6.84	-49.30
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689336	0	41	-1.0	-46.56	318.21	6.95	-39.61
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CCCCCC1	REAL300007689337	0	42	-1.0	-55.91	306.58	6.48	-49.43
O=C([O-])C1(NS(=O)(=O)N2CCOCC2)CCCCCC1	REAL300007689338	0	41	-1.0	-41.32	286.00	2.74	-38.58
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689339	0	44	-1.0	-52.59	339.87	2.89	-49.70
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CCCCCC1	REAL300007689340	0	42	-1.0	-43.06	325.12	5.15	-37.91
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1OC	REAL300007689341	0	49	-1.0	-50.91	353.88	5.54	-45.37
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689342	0	41	-1.0	-43.83	313.65	6.83	-37.00
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689343	0	38	-1.0	-47.71	283.71	2.90	-44.81
CN(C1CCCCC1)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689344	0	49	-1.0	-42.37	331.94	6.17	-36.20
CC1=NN(C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689345	0	44	-1.0	-46.52	308.73	4.11	-42.41
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCCCCC1	REAL300007689346	0	54	-1.0	-44.48	381.00	9.16	-35.32
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCOC3=C2)CCCCCC1	REAL300007689347	0	44	-1.0	-48.91	323.65	4.51	-44.40
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689348	0	44	-1.0	-44.25	322.03	6.80	-37.45
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2Br)CCCCCC1	REAL300007689349	0	38	-1.0	-41.76	297.55	6.18	-35.58
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Br)=C2)CCCCCC1	REAL300007689350	0	38	-1.0	-41.93	300.68	5.98	-35.95
CC1=NNC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689351	0	38	-1.0	-43.27	283.13	2.36	-40.91
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689352	0	43	-1.0	-41.78	311.27	7.46	-34.32
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CCCCCC1	REAL300007689353	0	44	-1.0	-40.87	343.83	7.57	-33.30
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689354	0	48	-1.0	-44.06	362.75	2.12	-41.94
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689355	0	49	-1.0	-40.73	361.74	7.19	-33.54
CC1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689356	0	41	-1.0	-43.42	306.31	6.13	-37.29
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)CCCCCC1	REAL300007689357	0	44	-1.0	-44.57	325.50	6.00	-38.57
COCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689358	0	45	-1.0	-44.06	334.20	5.09	-38.97
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689359	0	44	-1.0	-41.24	328.09	2.97	-38.27
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689360	0	47	-1.0	-61.36	364.18	3.57	-57.79
CS(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689361	0	43	-1.0	-47.18	329.32	1.56	-45.62
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1C	REAL300007689362	0	48	-1.0	-48.44	342.15	6.25	-42.19
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C=C2)CCCCCC1	REAL300007689363	0	41	-1.0	-40.39	325.34	6.86	-33.53
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)CCCCCC1	REAL300007689364	0	43	-1.0	-49.67	320.05	5.74	-43.93
O=C([O-])C1(NS(=O)(=O)CC2=NOC=C2)CCCCCC1	REAL300007689365	0	37	-1.0	-49.39	279.05	3.53	-45.86
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=NN1C	REAL300007689366	0	41	-1.0	-52.66	306.44	3.83	-48.83
CS(=O)(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300007689367	0	48	-1.0	-53.24	350.39	1.35	-51.89
CN(C1CCOCC1)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689368	0	47	-1.0	-42.43	323.52	3.77	-38.66
O=C([O-])C1(NS(=O)(=O)N2CC3CCC2C3)CCCCCC1	REAL300007689369	0	44	-1.0	-47.27	305.66	5.06	-42.21
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=NN1C1=CC=CC=N1	REAL300007689370	0	47	-1.0	-54.16	355.35	6.67	-47.49
CCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1C	REAL300007689371	0	47	-1.0	-46.60	330.54	4.97	-41.63
CC(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689372	0	44	-1.0	-41.75	324.04	4.28	-37.47
CC(C)CN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689373	0	47	-1.0	-56.90	341.07	8.32	-48.58
CC(C)N1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689374	0	44	-1.0	-57.56	321.96	7.73	-49.83
CC(C)C1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CN1	REAL300007689375	0	44	-1.0	-58.09	320.28	5.72	-52.37
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689376	0	50	-1.0	-48.72	339.06	8.44	-40.28
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689377	0	46	-1.0	-54.46	345.67	4.84	-49.62
O=C([O-])C1(NS(=O)(=O)CC2CCCOC2)CCCCCC1	REAL300007689378	0	45	-1.0	-41.27	315.64	4.29	-36.98
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1OC	REAL300007689379	0	46	-1.0	-46.16	348.33	5.22	-40.94
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1Br	REAL300007689380	0	41	-1.0	-42.93	318.63	6.55	-36.38
CC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689381	0	41	-1.0	-42.98	304.35	6.36	-36.62
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCCCCC1	REAL300007689382	0	44	-1.0	-44.78	334.80	8.16	-36.62
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCCCCC1	REAL300007689383	0	42	-1.0	-43.17	324.87	5.01	-38.16
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCCCCC1	REAL300007689384	0	45	-1.0	-53.23	332.51	7.67	-45.56
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689385	0	53	-1.0	-46.34	362.62	6.07	-40.27
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CCCCCC1	REAL300007689386	0	41	-1.0	-40.88	311.33	6.22	-34.66
COCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689387	0	49	-1.0	-57.62	349.97	5.81	-51.81
COCCC(C)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689388	0	44	-1.0	-40.58	315.60	4.00	-36.58
COC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689389	0	42	-1.0	-52.78	301.45	6.14	-46.64
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689390	0	49	-1.0	-52.38	374.67	5.48	-46.90
O=C([O-])C1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CCCCCC1	REAL300007689391	0	56	-1.0	-42.14	365.60	7.61	-34.53
CC1=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=CC=C2C=C1	REAL300007689392	0	46	-1.0	-54.80	343.33	6.75	-48.05
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCCCCC1	REAL300007689393	0	46	-1.0	-48.57	343.83	7.46	-41.11
CCN(CC1CC1)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689394	0	46	-1.0	-40.52	325.40	6.36	-34.16
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCCCCC1	REAL300007689395	0	49	-1.0	-47.44	356.24	3.75	-43.69
CCCN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689396	0	44	-1.0	-57.03	323.86	8.11	-48.92
COCCOCCOCCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689397	0	52	-1.0	-48.17	390.32	2.88	-45.29
O=C([O-])C1(NS(=O)(=O)CCOCC2CC2)CCCCCC1	REAL300007689398	0	45	-1.0	-44.68	332.88	4.87	-39.81
CC(COC1CCCC1)CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689399	0	54	-1.0	-40.32	382.09	6.89	-33.43
COCC(C)CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689400	0	44	-1.0	-40.13	314.82	3.84	-36.29
CCOCC(C)CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689401	0	47	-1.0	-40.34	336.67	4.82	-35.52
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689402	0	45	-1.0	-42.15	347.95	5.69	-36.46
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CCCCCC1	REAL300007689403	0	46	-1.0	-45.65	337.13	2.95	-42.70
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCCCCC1	REAL300007689404	0	42	-1.0	-46.44	307.29	6.30	-40.14
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC=C1[N+](=O)[O-]	REAL300007689405	0	44	-1.0	-40.39	334.65	6.10	-34.29
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689406	0	44	-1.0	-43.02	335.99	7.34	-35.68
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689407	0	44	-1.0	-47.17	335.66	7.32	-39.85
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC=C1C(F)(F)F	REAL300007689408	0	44	-1.0	-39.25	333.52	6.87	-32.38
CC(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689409	0	47	-1.0	-48.29	334.45	7.54	-40.75
O=C([O-])C1(NS(=O)(=O)CCCN2CCOCC2)CCCCCC1	REAL300007689410	0	50	-1.0	-41.73	355.52	2.53	-39.20
CCOC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689411	0	45	-1.0	-48.72	330.48	5.58	-43.14
COCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689412	0	45	-1.0	-40.50	339.36	2.89	-37.61
CC(C)(C)CCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689413	0	46	-1.0	-40.49	320.92	5.72	-34.77
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCCCCC1	REAL300007689414	0	45	-1.0	-44.50	343.51	5.90	-38.60
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCCCCC1	REAL300007689415	0	46	-1.0	-40.96	355.32	7.73	-33.23
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCCCCC1	REAL300007689416	0	43	-1.0	-45.19	320.27	5.72	-39.47
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Br)=C2)CCCCCC1	REAL300007689417	0	41	-1.0	-44.54	326.89	6.89	-37.65
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Br)CCCCCC1	REAL300007689418	0	41	-1.0	-45.42	322.44	6.83	-38.59
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCCCCC1	REAL300007689419	0	45	-1.0	-65.42	343.76	3.23	-62.19
CC1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300007689420	0	43	-1.0	-44.11	302.12	4.53	-39.58
CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689421	0	41	-1.0	-40.73	321.20	6.67	-34.06
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689422	0	41	-1.0	-42.88	317.07	6.82	-36.06
COCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689423	0	45	-1.0	-46.45	326.77	5.63	-40.82
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1Cl	REAL300007689424	0	46	-1.0	-50.73	336.70	5.91	-44.82
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCCCCC1	REAL300007689425	0	41	-1.0	-47.35	323.08	4.27	-43.08
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)F)N=C2)CCCCCC1	REAL300007689426	0	41	-1.0	-41.24	318.67	4.13	-37.11
CC1(C)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)=CC=C2O1	REAL300007689427	0	49	-1.0	-46.52	356.53	6.60	-39.92
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CCCCCC1	REAL300007689428	0	41	-1.0	-41.47	321.17	4.56	-36.91
CSC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689429	0	42	-1.0	-49.19	299.61	6.38	-42.81
CCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689430	0	44	-1.0	-42.80	319.35	6.72	-36.08
CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689431	0	47	-1.0	-44.65	346.98	7.68	-36.97
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CS2)CCCCCC1	REAL300007689432	0	41	-1.0	-42.33	315.77	6.12	-36.21
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689433	0	47	-1.0	-44.77	359.07	3.70	-41.07
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C	REAL300007689434	0	47	-1.0	-46.89	344.70	7.52	-39.37
CC(C)CN(C)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689435	0	45	-1.0	-40.03	312.18	5.85	-34.18
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCCCCC1	REAL300007689436	0	42	-1.0	-46.58	317.59	6.74	-39.84
CN(C1CCCC1)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689437	0	46	-1.0	-43.87	317.97	5.35	-38.52
CC1(C)CN(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)CCO1	REAL300007689438	0	47	-1.0	-41.70	322.56	4.23	-37.47
CC1=NOC(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689439	0	40	-1.0	-40.16	300.99	4.40	-35.76
CC(C)N1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)=CC=C21	REAL300007689440	0	50	-1.0	-45.25	369.79	6.89	-38.36
CCS(=O)(=O)NCCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689441	0	45	-1.0	-44.49	344.19	0.28	-44.21
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)OC2=CC=C(F)C=C12	REAL300007689442	0	44	-1.0	-53.17	332.04	7.62	-45.55
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCCCCC1	REAL300007689443	0	41	-1.0	-41.87	334.25	7.35	-34.52
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CCCCCC1	REAL300007689444	0	41	-1.0	-44.40	335.94	7.43	-36.97
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CCCCCC1	REAL300007689445	0	44	-1.0	-45.29	337.08	8.26	-37.03
O=C([O-])C1(NS(=O)(=O)CCC2CCCO2)CCCCCC1	REAL300007689446	0	45	-1.0	-45.11	323.97	4.39	-40.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCCCCC1	REAL300007689447	0	44	-1.0	-45.05	340.15	7.15	-37.90
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CCCCCC1	REAL300007689448	0	49	-1.0	-43.87	361.48	6.88	-36.99
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=CC=CC(C)=C2S1	REAL300007689449	0	47	-1.0	-43.58	343.73	8.09	-35.49
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1N(C)C	REAL300007689450	0	49	-1.0	-43.44	353.73	6.01	-37.43
O=C([O-])C1(NS(=O)(=O)C2=C3OCCCN3N=C2)CCCCCC1	REAL300007689451	0	43	-1.0	-42.77	303.55	3.15	-39.62
O=C([O-])C1(NS(=O)(=O)CCOCC2CCCC2)CCCCCC1	REAL300007689452	0	51	-1.0	-44.90	366.58	6.03	-38.87
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1Cl	REAL300007689453	0	45	-1.0	-49.10	340.66	6.20	-42.90
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689454	0	47	-1.0	-52.42	364.75	3.75	-48.67
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1Cl	REAL300007689455	0	42	-1.0	-40.03	334.61	6.84	-33.19
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689456	0	50	-1.0	-59.01	348.84	5.93	-53.08
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CCCCCC1	REAL300007689457	0	46	-1.0	-47.44	350.33	3.79	-43.65
CCC1=NOC2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=C12	REAL300007689458	0	45	-1.0	-39.54	340.33	3.06	-36.48
CN1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)=CN=C21	REAL300007689459	0	43	-1.0	-47.36	323.43	4.36	-43.00
CCC1=CC(CC)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(CC)=C1	REAL300007689460	0	56	-1.0	-44.81	385.07	10.24	-34.57
O=C([O-])C1(NS(=O)(=O)C2=CN3CCCCC3=N2)CCCCCC1	REAL300007689461	0	45	-1.0	-60.25	322.27	7.31	-52.94
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCCCCC1	REAL300007689462	0	44	-1.0	-38.77	347.66	3.43	-35.34
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCCCCC1	REAL300007689463	0	47	-1.0	-54.29	349.78	9.38	-44.91
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1F	REAL300007689464	0	45	-1.0	-44.77	331.65	5.68	-39.09
CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)CCCCC1	REAL300007689465	0	50	-1.0	-44.27	332.61	7.05	-37.22
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCCCCC1	REAL300007689466	0	47	-1.0	-44.74	338.86	6.86	-37.88
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689467	0	56	0.0	-46.92	388.02	6.23	-40.69
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CCCCCC1	REAL300007689468	0	46	-1.0	-47.10	348.48	6.49	-40.61
CN1N=NC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689469	0	37	-1.0	-40.28	266.56	2.14	-38.14
COCC1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689470	0	45	-1.0	-40.57	350.89	5.59	-34.98
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(F)=C1	REAL300007689471	0	44	-1.0	-50.61	332.35	6.98	-43.63
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689472	0	50	0.0	-51.97	357.50	7.26	-44.71
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCCCCC1	REAL300007689473	0	38	-1.0	-38.50	311.21	5.61	-32.89
O=C([O-])C1(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CCCCCC1	REAL300007689474	0	51	-1.0	-44.49	370.59	8.86	-35.63
CC(C)(C)C1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=NO1	REAL300007689475	0	49	-1.0	-50.03	363.71	6.28	-43.75
O=C([O-])C1(NS(=O)(=O)CCC2CCC2)CCCCCC1	REAL300007689476	0	44	-1.0	-42.29	315.71	6.11	-36.18
CC(C)(C)CCCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689477	0	49	-1.0	-41.55	343.92	6.50	-35.05
O=C([O-])C1(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CCCCCC1	REAL300007689478	0	47	-1.0	-76.17	342.87	2.85	-73.32
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCCC1	REAL300007689479	0	41	-1.0	-46.33	317.65	6.80	-39.53
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCCC1	REAL300007689479	1	40	-2.0	-128.74	322.42	6.91	-121.83
CC1=C(CCS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)SC=N1	REAL300007689480	0	43	-1.0	-42.15	329.52	4.77	-37.38
COCC1(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300007689481	0	42	-1.0	-44.52	303.87	4.96	-39.56
O=C([O-])C1(NS(=O)(=O)CC23CCC(CC2)C3)CCCCCC1	REAL300007689482	0	48	-1.0	-43.00	329.05	6.91	-36.09
O=C([O-])C1(NS(=O)(=O)CC2CC(F)(F)C2)CCCCCC1	REAL300007689483	0	41	-1.0	-37.61	305.67	5.48	-32.13
COC1=CC=C2C=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)CCC2=C1	REAL300007689484	0	50	-1.0	-43.32	361.62	7.01	-36.31
O=C([O-])C1(NS(=O)(=O)CC23CCC(CC2)CC3)CCCCCC1	REAL300007689485	0	51	-1.0	-44.76	340.19	7.56	-37.20
O=C([O-])C1(NS(=O)(=O)CCC2CCOC2)CCCCCC1	REAL300007689486	0	45	-1.0	-41.07	321.14	4.06	-37.01
CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1)S(C)(=O)=O	REAL300007689487	0	49	-1.0	-58.25	352.87	3.05	-55.20
O=C([O-])C1(NS(=O)(=O)CC2CCCCC2(F)F)CCCCCC1	REAL300007689488	0	47	-1.0	-47.16	334.25	6.71	-40.45
O=C([O-])C1(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CCCCCC1	REAL300007689489	0	45	-1.0	-42.36	331.22	7.70	-34.66
CN1C=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300007689490	0	38	-1.0	-52.27	288.54	3.26	-49.01
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1[N+](=O)[O-]	REAL300007689491	0	46	-1.0	-38.08	342.29	7.27	-30.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2)CCCCCC1	REAL300007689492	0	38	-1.0	-39.71	295.87	5.87	-33.84
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2)CCCCCC1	REAL300007689493	0	38	-1.0	-39.70	300.43	5.98	-33.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CCCCCC1	REAL300007689494	0	40	-1.0	-38.25	307.37	6.03	-32.22
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CCCCCC1	REAL300007689495	0	44	-1.0	-47.16	325.51	7.65	-39.51
O=C([O-])C1(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCCCCC1	REAL300007689496	0	40	-1.0	-47.86	307.63	6.04	-41.82
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689497	0	43	-1.0	-51.11	325.15	6.99	-44.12
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689498	0	42	-1.0	-44.70	308.90	4.66	-40.04
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCCCCC1	REAL300007689499	0	40	-1.0	-49.38	303.09	7.06	-42.32
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689500	0	41	-1.0	-44.17	300.57	6.04	-38.13
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689501	0	45	-1.0	-43.01	330.50	5.58	-37.43
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1C	REAL300007689502	0	50	-1.0	-41.88	338.79	7.90	-33.98
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1	REAL300007689503	0	47	-1.0	-42.65	331.03	7.52	-35.13
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689504	0	53	-1.0	-49.26	373.16	8.66	-40.60
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CCCCCC1	REAL300007689505	0	41	-1.0	-42.73	318.56	6.41	-36.32
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689506	0	41	-1.0	-43.78	300.49	6.02	-37.76
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2)CCCCCC1	REAL300007689507	0	42	-1.0	-49.59	315.50	6.72	-42.87
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCCCCC1	REAL300007689508	0	41	-1.0	-43.57	305.12	6.99	-36.58
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2)CCCCCC1	REAL300007689509	0	38	-1.0	-42.49	296.11	5.88	-36.61
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689510	0	43	-1.0	-41.11	319.56	5.75	-35.36
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689511	0	44	-1.0	-48.09	318.35	7.00	-41.09
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C	REAL300007689512	0	44	-1.0	-44.99	317.51	6.56	-38.43
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1	REAL300007689513	0	44	-1.0	-48.00	318.33	6.99	-41.01
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1[N+](=O)[O-]	REAL300007689514	0	44	-1.0	-38.73	334.63	6.10	-32.63
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689515	0	50	-1.0	-44.60	355.37	7.70	-36.90
CC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689516	0	47	-1.0	-44.17	339.37	7.28	-36.89
CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689517	0	47	-1.0	-44.23	343.54	7.58	-36.65
COC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689518	0	42	-1.0	-53.18	293.68	6.15	-47.03
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2)CCCCCC1	REAL300007689519	0	41	-1.0	-45.87	305.89	6.27	-39.60
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC=C1Br	REAL300007689520	0	41	-1.0	-40.27	318.63	6.55	-33.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CCCCCC1	REAL300007689521	0	42	-1.0	-40.23	325.12	5.15	-35.08
CC1=C(C)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1C	REAL300007689522	0	53	-1.0	-44.79	355.87	8.35	-36.44
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CCCCCC1	REAL300007689523	0	47	-1.0	-42.94	341.95	5.29	-37.65
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689524	0	54	-1.0	-55.73	372.16	8.49	-47.24
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1[N+](=O)[O-]	REAL300007689525	0	43	-1.0	-37.73	323.06	6.60	-31.13
CC1=NNC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689526	0	41	-1.0	-43.73	288.21	2.89	-40.84
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689527	0	56	-1.0	-47.16	389.56	9.61	-37.55
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CCCCCC1	REAL300007689528	0	41	-1.0	-38.92	317.90	6.37	-32.55
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCCCC3=C2)CCCCCC1	REAL300007689529	0	48	-1.0	-45.10	342.04	7.94	-37.16
COC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689530	0	46	-1.0	-56.23	324.49	5.36	-50.87
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1OC	REAL300007689531	0	46	-1.0	-44.35	338.13	4.57	-39.78
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCCC3=C2)CCCCCC1	REAL300007689532	0	45	-1.0	-46.67	324.68	7.26	-39.41
CC1=NOC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689533	0	40	-1.0	-42.72	288.90	4.04	-38.68
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)CCCCCC1	REAL300007689534	0	46	-1.0	-45.23	334.33	7.91	-37.32
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC3=C2)CCCCCC1	REAL300007689535	0	43	-1.0	-45.88	315.02	5.21	-40.67
CC(C)CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689536	0	53	-1.0	-44.42	382.61	8.86	-35.56
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1OCC	REAL300007689537	0	52	-1.0	-44.72	381.83	6.41	-38.31
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689538	0	43	-1.0	-43.51	333.38	0.31	-43.20
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC([N+](=O)[O-])=C1C	REAL300007689539	0	46	-1.0	-38.91	340.51	7.18	-31.73
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1C	REAL300007689540	0	46	-1.0	-51.19	340.26	7.56	-43.63
O=C([O-])C1(NS(=O)(=O)N2CCCCCC2)CCCCCC1	REAL300007689541	0	46	-1.0	-37.29	294.59	4.84	-32.45
CC1=CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)=C2N=C1	REAL300007689542	0	46	-1.0	-64.29	325.23	7.65	-56.64
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C([N+](=O)[O-])=C1	REAL300007689543	0	44	-1.0	-44.34	327.43	6.24	-38.10
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689544	0	42	-1.0	-48.89	306.78	6.54	-42.35
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689545	0	43	-1.0	-42.82	333.47	0.31	-42.51
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689546	0	46	-1.0	-46.64	343.35	7.29	-39.35
O=C([O-])C1(NS(=O)(=O)N2CCCCC2)CCCCCC1	REAL300007689547	0	43	-1.0	-38.13	292.02	4.32	-33.81
O=C([O-])C1(NS(=O)(=O)N2CCC3=CC=CC=C3C2)CCCCCC1	REAL300007689548	0	47	-1.0	-46.18	334.49	6.89	-39.29
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=CC=CN=C12	REAL300007689549	0	46	-1.0	-48.08	335.49	6.67	-41.41
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C	REAL300007689550	0	46	-1.0	-47.50	337.41	8.17	-39.33
CC1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300007689551	0	46	-1.0	-50.79	320.86	5.91	-44.88
O=C([O-])C1(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CCCCCC1	REAL300007689552	0	50	-1.0	-45.35	365.31	4.54	-40.81
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689553	0	44	-1.0	-44.42	337.60	2.81	-41.61
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CCCCCC1	REAL300007689554	0	48	-1.0	-48.57	353.24	9.41	-39.16
CC1CC(C)CN(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300007689555	0	49	-1.0	-41.24	331.56	6.49	-34.75
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)CCCCCC1	REAL300007689556	0	44	-1.0	-47.75	320.42	7.75	-40.00
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CCCCCC1	REAL300007689557	0	48	-1.0	-46.31	353.31	8.77	-37.54
CC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689558	0	41	-1.0	-48.07	303.32	6.39	-41.68
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=CC=C12	REAL300007689559	0	52	-1.0	-47.35	373.83	7.59	-39.76
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NSN=C32)CCCCCC1	REAL300007689560	0	39	-1.0	-58.64	289.56	4.55	-54.09
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689561	0	42	-1.0	-52.62	311.64	6.61	-46.01
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689562	0	42	-1.0	-48.27	308.64	4.65	-43.62
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689563	0	53	-1.0	-44.94	369.57	8.14	-36.80
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1Cl	REAL300007689564	0	41	-1.0	-43.43	314.60	6.46	-36.97
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689565	0	48	-1.0	-43.08	348.20	6.28	-36.80
CCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689566	0	44	-1.0	-46.52	312.34	7.31	-39.21
CC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689567	0	41	-1.0	-47.40	295.19	6.34	-41.06
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CN1C	REAL300007689568	0	41	-1.0	-59.43	300.92	6.19	-53.24
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Cl)=C2)CCCCCC1	REAL300007689569	0	41	-1.0	-44.71	322.33	6.79	-37.92
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NON=C32)CCCCCC1	REAL300007689570	0	39	-1.0	-63.47	283.09	4.88	-58.59
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=CN=C32)CCCCCC1	REAL300007689571	0	43	-1.0	-63.64	303.82	7.00	-56.64
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689572	0	44	-1.0	-46.53	317.46	6.68	-39.85
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1F	REAL300007689573	0	42	-1.0	-40.42	315.11	4.74	-35.68
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1F	REAL300007689574	0	41	-1.0	-45.96	305.86	6.07	-39.89
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689575	0	44	-1.0	-44.94	325.50	6.92	-38.02
CN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689576	0	38	-1.0	-58.13	280.55	6.45	-51.68
CC1CCCCN1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689577	0	46	-1.0	-40.91	306.90	6.07	-34.84
CCCN(CCC)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689578	0	48	-1.0	-58.54	322.57	6.22	-52.32
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CCCCCC1	REAL300007689579	0	41	-1.0	-38.52	337.52	7.25	-31.27
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=CC=CC=C12	REAL300007689580	0	48	-1.0	-48.85	348.79	7.09	-41.76
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689581	0	43	-1.0	-42.09	325.14	6.98	-35.11
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689582	0	43	-1.0	-40.92	318.02	6.85	-34.07
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689583	0	46	-1.0	-50.16	340.57	7.98	-42.18
CC(C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689584	0	50	-1.0	-44.39	360.29	8.04	-36.35
COCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689585	0	48	-1.0	-43.06	355.71	5.87	-37.19
COCCN(CCOC)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689586	0	50	-1.0	-64.49	352.87	3.76	-60.73
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689587	0	41	-1.0	-46.66	313.65	6.84	-39.82
COC1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C	REAL300007689588	0	48	-1.0	-44.09	352.13	6.26	-37.83
CC(C)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689589	0	54	-1.0	-42.81	391.03	7.68	-35.13
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CCCCCC1	REAL300007689590	0	52	-1.0	-42.86	373.76	7.61	-35.25
CC(C)COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689591	0	51	-1.0	-42.95	372.10	7.08	-35.87
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689592	0	48	-1.0	-42.89	352.00	6.38	-36.51
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1Cl	REAL300007689593	0	42	-1.0	-40.25	324.92	5.22	-35.03
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CCCCCC1	REAL300007689594	0	42	-1.0	-43.44	334.67	5.50	-37.94
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C	REAL300007689595	0	45	-1.0	-43.89	328.69	5.40	-38.49
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC=C1OC(C)C	REAL300007689596	0	51	-1.0	-45.03	370.54	7.14	-37.89
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1	REAL300007689597	0	45	-1.0	-47.33	324.64	5.65	-41.68
COCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689598	0	49	-1.0	-44.31	364.09	4.85	-39.46
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2F)CCCCCC1	REAL300007689599	0	41	-1.0	-46.73	310.91	6.31	-40.42
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689600	0	41	-1.0	-43.89	318.21	6.94	-36.95
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1C	REAL300007689601	0	46	-1.0	-43.19	328.65	8.13	-35.06
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689602	0	47	-1.0	-60.80	357.63	3.85	-56.95
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689603	0	46	-1.0	-44.20	355.75	1.53	-42.67
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689604	0	46	-1.0	-55.52	340.70	3.28	-52.24
CC1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300007689605	0	40	-1.0	-47.04	310.36	4.23	-42.81
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=CC=C23)CCCCCC1	REAL300007689606	0	41	-1.0	-47.81	319.19	6.91	-40.90
O=C([O-])C1(NS(=O)(=O)CC2CCCC2)CCCCCC1	REAL300007689607	0	44	-1.0	-42.49	309.73	5.95	-36.54
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC=C1F	REAL300007689608	0	42	-1.0	-40.68	314.85	4.73	-35.95
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2)CCCCCC1	REAL300007689609	0	35	-1.0	-39.50	270.32	4.43	-35.07
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CCCCCC1	REAL300007689610	0	48	-1.0	-48.13	353.60	8.78	-39.35
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CCCCCC1	REAL300007689611	0	41	-1.0	-39.78	339.07	7.29	-32.49
O=C([O-])C1(NS(=O)(=O)CC2CCCCC2)CCCCCC1	REAL300007689612	0	47	-1.0	-42.01	323.97	6.65	-35.36
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689613	0	46	-1.0	-62.90	325.16	7.67	-55.23
CNC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CN1C	REAL300007689614	0	46	-1.0	-43.62	343.03	3.05	-40.57
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1	REAL300007689615	0	48	-1.0	-43.45	339.28	6.18	-37.27
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CCCCCC1	REAL300007689616	0	49	-1.0	-47.79	363.34	9.47	-38.32
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C	REAL300007689617	0	48	-1.0	-49.07	344.73	6.37	-42.70
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=CC=CN=C2C=C1	REAL300007689618	0	46	-1.0	-44.48	322.21	6.34	-38.14
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)CCCCCC1	REAL300007689619	0	43	-1.0	-45.89	315.45	5.97	-39.92
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C([N+](=O)[O-])=N1	REAL300007689620	0	43	-1.0	-44.48	330.75	6.30	-38.18
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)C([N+](=O)[O-])=N1	REAL300007689620	1	42	-2.0	-138.44	339.11	6.90	-131.54
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CCCCCC1	REAL300007689621	0	45	-1.0	-40.31	350.07	6.04	-34.27
CCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689622	0	46	-1.0	-55.09	342.57	6.66	-48.43
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CCCCCC1	REAL300007689623	0	48	-1.0	-42.52	365.27	6.77	-35.75
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=CC=C23)CCCCCC1	REAL300007689624	0	41	-1.0	-63.85	309.19	4.67	-59.18
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689625	0	60	-1.0	-58.57	400.21	8.80	-49.77
CC1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689626	0	44	-1.0	-46.40	327.01	6.95	-39.45
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689627	0	46	-1.0	-49.21	356.95	2.07	-47.14
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(F)=C2)CCCCCC1	REAL300007689628	0	41	-1.0	-44.02	310.46	6.31	-37.71
CC1=CC=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689629	0	44	-1.0	-46.35	319.72	6.91	-39.44
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=CC=CC=C12	REAL300007689630	0	51	-1.0	-48.87	370.59	8.02	-40.85
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689631	0	48	-1.0	-50.08	353.31	6.84	-43.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CCCCCC1	REAL300007689632	0	43	-1.0	-43.99	327.44	5.54	-38.45
O=C([O-])C1(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CCCCCC1	REAL300007689633	0	45	-1.0	-50.11	339.71	6.31	-43.80
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689634	0	52	-1.0	-44.22	385.95	5.82	-38.40
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689635	0	54	-1.0	-42.72	395.00	7.94	-34.78
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2CCCC3)CCCCCC1	REAL300007689636	0	48	-1.0	-46.11	335.74	8.10	-38.01
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CCCCCC1	REAL300007689637	0	44	-1.0	-48.92	334.08	7.03	-41.89
O=C([O-])C1(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CCCCCC1	REAL300007689638	0	42	-1.0	-41.34	335.52	6.82	-34.52
O=C([O-])C1(NS(=O)(=O)C2=CC=C3COCC3=C2)CCCCCC1	REAL300007689639	0	43	-1.0	-42.24	315.11	4.65	-37.59
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)CCCCCC1	REAL300007689640	0	46	-1.0	-56.11	345.79	6.80	-49.31
O=C([O-])C1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CCCCCC1	REAL300007689641	0	44	-1.0	-46.72	324.67	2.11	-44.61
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CCCCCC1	REAL300007689642	0	43	-1.0	-39.16	327.67	5.55	-33.61
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1	REAL300007689643	0	48	-1.0	-47.29	346.49	6.57	-40.72
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689644	0	46	-1.0	-46.37	355.77	1.54	-44.83
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)F)CCCCCC1	REAL300007689645	0	42	-1.0	-49.04	297.59	6.23	-42.81
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689646	0	42	-1.0	-44.53	319.59	6.39	-38.14
CCCCCCCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689647	0	49	-1.0	-41.31	353.18	7.16	-34.15
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CCCCCC1	REAL300007689648	0	44	-1.0	-45.59	344.61	7.26	-38.33
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689649	0	49	-1.0	-56.92	340.90	7.70	-49.22
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)N=C1C	REAL300007689650	0	44	-1.0	-58.85	322.07	7.08	-51.77
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCO3)CCCCCC1	REAL300007689651	0	44	-1.0	-47.81	324.25	4.87	-42.94
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)CCCCCC1	REAL300007689652	0	43	-1.0	-46.94	315.41	5.85	-41.09
O=C([O-])C1(NS(=O)(=O)CC2CCCO2)CCCCCC1	REAL300007689653	0	42	-1.0	-43.66	302.37	3.62	-40.04
O=C([O-])C1(NS(=O)(=O)CC2CCCCO2)CCCCCC1	REAL300007689654	0	45	-1.0	-43.24	320.38	4.46	-38.78
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C(F)(F)F	REAL300007689655	0	44	-1.0	-44.31	334.14	6.89	-37.42
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CCCCCC1	REAL300007689656	0	44	-1.0	-57.57	347.22	7.31	-50.26
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCCCCC1	REAL300007689657	0	47	-1.0	-43.49	343.95	6.96	-36.53
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=C12	REAL300007689658	0	46	-1.0	-43.25	345.45	5.08	-38.17
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689659	0	45	-1.0	-46.27	350.54	6.17	-40.10
COCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689660	0	45	-1.0	-45.10	334.15	5.08	-40.02
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)=C2O1	REAL300007689661	0	49	-1.0	-51.22	359.44	6.72	-44.50
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689662	0	41	-1.0	-47.99	305.21	3.76	-44.23
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Cl)CCCCCC1	REAL300007689663	0	41	-1.0	-45.55	319.28	6.73	-38.82
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCCCCC1	REAL300007689664	0	45	-1.0	-39.31	350.09	6.04	-33.27
CC(C1CC1)N(C)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689665	0	46	-1.0	-45.81	319.39	5.69	-40.12
CN1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689666	0	38	-1.0	-41.18	269.81	3.06	-38.12
O=C([O-])C1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCCCCC1	REAL300007689667	0	41	-1.0	-45.88	331.16	7.15	-38.73
O=C([O-])C1(NS(=O)(=O)CC2CCOC2)CCCCCC1	REAL300007689668	0	42	-1.0	-60.86	299.12	3.54	-57.32
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)=CC=C2O1	REAL300007689669	0	46	-1.0	-46.06	336.00	5.95	-40.11
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689670	0	50	-1.0	-43.76	340.19	8.96	-34.80
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CCCCCC1	REAL300007689671	0	44	-1.0	-60.13	341.14	7.28	-52.85
COCCN(C)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689672	0	43	-1.0	-41.31	306.50	3.54	-37.77
CN(CC1CC1)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689673	0	43	-1.0	-40.71	307.10	5.87	-34.84
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=C2)=CO1	REAL300007689674	0	47	-1.0	-46.06	355.51	4.41	-41.65
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C(F)(F)F)=N1	REAL300007689675	0	41	-1.0	-43.39	322.32	4.43	-38.96
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)C(C(F)(F)F)=N1	REAL300007689675	1	40	-2.0	-130.61	326.61	5.01	-125.60
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C(C)O1	REAL300007689676	0	41	-1.0	-49.77	305.18	5.09	-44.68
CC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689677	0	38	-1.0	-41.80	292.26	5.08	-36.72
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCCC1	REAL300007689678	0	41	-1.0	-52.42	311.25	6.72	-45.70
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCCC1	REAL300007689678	1	40	-2.0	-138.67	318.57	6.63	-132.04
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCOC3=C2)CCCCCC1	REAL300007689679	0	41	-1.0	-42.45	305.13	4.00	-38.45
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689680	0	41	-1.0	-41.04	306.25	2.04	-39.00
O=C([O-])C1(NS(=O)(=O)C2=CN=C3CCCN23)CCCCCC1	REAL300007689681	0	42	-1.0	-53.79	310.73	4.79	-49.00
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)SC=C1	REAL300007689682	0	38	-1.0	-41.68	286.26	5.33	-36.35
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CCCCCC1	REAL300007689683	0	46	-1.0	-44.74	333.02	6.08	-38.66
O=C([O-])C1(NS(=O)(=O)C2CC3=CC=CC=C3C2)CCCCCC1	REAL300007689684	0	45	-1.0	-46.99	329.49	7.46	-39.53
CC1=CC=C(N2C=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=N2)C=C1	REAL300007689685	0	48	-1.0	-49.85	361.08	6.99	-42.86
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)=CC(Cl)=C2O1	REAL300007689686	0	46	-1.0	-41.91	352.93	6.47	-35.44
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC=C1[N+](=O)[O-]	REAL300007689687	0	43	-1.0	-37.52	323.49	6.52	-31.00
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689688	0	49	-1.0	-54.89	366.84	5.95	-48.94
CC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689689	0	41	-1.0	-47.04	308.93	3.95	-43.09
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)O1	REAL300007689690	0	38	-1.0	-46.52	285.59	5.23	-41.29
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)N(C)N=C1	REAL300007689691	0	41	-1.0	-42.14	293.51	3.63	-38.51
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CSC3=C2)CCCCCC1	REAL300007689692	0	40	-1.0	-47.90	311.15	4.69	-43.21
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689693	0	46	-1.0	-46.24	330.61	5.76	-40.48
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=C2C=C1	REAL300007689694	0	47	-1.0	-47.28	346.38	8.28	-39.00
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)SC=C1	REAL300007689695	0	39	-1.0	-45.04	299.32	4.39	-40.65
CN(C)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689696	0	46	-1.0	-46.15	330.84	5.83	-40.32
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCC3)CCCCCC1	REAL300007689697	0	43	-1.0	-58.80	298.59	6.43	-52.37
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CCCCCC1	REAL300007689698	0	43	-1.0	-45.81	328.96	5.62	-40.19
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCOC3=C2)CCCCCC1	REAL300007689699	0	43	-1.0	-50.08	314.92	5.21	-44.87
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)CCCCCC1	REAL300007689700	0	44	-1.0	-41.01	343.83	7.58	-33.43
CN1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=C21	REAL300007689701	0	50	-1.0	-44.15	347.43	5.73	-38.42
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCCCCC1	REAL300007689702	0	40	-1.0	-36.69	314.57	4.66	-32.03
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689703	0	46	-1.0	-47.87	331.91	6.15	-41.72
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689704	0	46	-1.0	-41.47	339.45	7.52	-33.95
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1[N+](=O)[O-]	REAL300007689705	0	46	-1.0	-50.86	333.34	8.71	-42.15
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1[N+](=O)[O-]	REAL300007689706	0	46	-1.0	-53.58	343.34	7.56	-46.02
COC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689707	0	48	-1.0	-43.64	356.60	6.36	-37.28
COC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689708	0	41	-1.0	-44.76	303.72	2.83	-41.93
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300007689709	0	47	-1.0	-43.73	351.65	7.05	-36.68
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)CCCCCC1	REAL300007689710	0	45	-1.0	-44.42	328.36	7.46	-36.96
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC(OC)=C1	REAL300007689711	0	46	-1.0	-48.48	338.14	3.96	-44.52
O=C([O-])C1(NS(=O)(=O)CCC2CCCCC2)CCCCCC1	REAL300007689712	0	50	-1.0	-42.48	348.18	7.22	-35.26
CC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689713	0	47	-1.0	-44.01	348.50	7.74	-36.27
CC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1)OCO2	REAL300007689714	0	44	-1.0	-49.15	322.93	4.99	-44.16
O=C([O-])C1(NS(=O)(=O)C2=C3OC=CC3=CC=C2)CCCCCC1	REAL300007689715	0	41	-1.0	-58.47	293.72	6.62	-51.85
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC=C1Cl	REAL300007689716	0	42	-1.0	-40.58	324.64	5.21	-35.37
O=C([O-])C1(NS(=O)(=O)CCC2CCCC2)CCCCCC1	REAL300007689717	0	47	-1.0	-42.57	331.69	6.64	-35.93
CN1C=NC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)=CC=C21	REAL300007689718	0	44	-1.0	-57.19	327.80	6.73	-50.46
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=NC=CC=C2C=C1	REAL300007689719	0	46	-1.0	-50.73	336.26	7.28	-43.45
CC1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=C2O1	REAL300007689720	0	43	-1.0	-48.69	322.75	3.01	-45.68
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1CC	REAL300007689721	0	50	-1.0	-45.46	356.11	7.93	-37.53
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689722	0	46	-1.0	-37.99	337.77	7.54	-30.45
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689723	0	48	-1.0	-45.95	344.47	7.19	-38.76
CC1=C(C)SC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689724	0	41	-1.0	-42.95	310.90	5.84	-37.11
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689725	0	39	-1.0	-44.03	303.23	3.39	-40.64
CC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300007689726	0	37	-1.0	-40.17	286.41	3.26	-36.91
CCC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300007689727	0	40	-1.0	-40.75	308.50	4.06	-36.69
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(N)=NO1	REAL300007689728	0	39	-1.0	-42.69	285.71	2.43	-40.26
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)C(N)=NO1	REAL300007689728	1	38	-2.0	-119.15	290.60	3.56	-115.59
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689729	0	45	-1.0	-48.66	328.39	5.01	-43.65
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300007689730	0	41	-1.0	-43.02	308.13	6.14	-36.88
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCCCCC1	REAL300007689731	0	44	-1.0	-49.89	331.98	7.56	-42.33
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCO3)CCCCCC1	REAL300007689732	0	41	-1.0	-56.78	289.56	4.83	-51.95
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC(C)=C1F	REAL300007689733	0	44	-1.0	-39.96	325.59	6.72	-33.24
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCCCCC1	REAL300007689734	0	45	-1.0	-53.02	335.08	5.10	-47.92
O=C([O-])C1(NS(=O)(=O)CCCOCC2=CC=CC=C2)CCCCCC1	REAL300007689735	0	51	-1.0	-42.58	382.62	7.12	-35.46
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)CCCCCC1	REAL300007689736	0	42	-1.0	-50.44	324.07	5.68	-44.76
O=C([O-])C1(NS(=O)(=O)C2=C3N=CSC3=CC=C2)CCCCCC1	REAL300007689737	0	40	-1.0	-59.36	295.65	6.04	-53.32
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689738	0	40	-1.0	-41.83	295.68	4.17	-37.66
CC1=NC(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CS1	REAL300007689739	0	40	-1.0	-48.72	310.65	3.92	-44.80
COC(CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1)C1CC1	REAL300007689740	0	45	-1.0	-42.31	325.31	4.65	-37.66
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C=C2)CCCCCC1	REAL300007689741	0	41	-1.0	-40.35	320.78	6.76	-33.59
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CC=C1Cl	REAL300007689742	0	41	-1.0	-40.19	314.59	6.47	-33.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCCCCC1	REAL300007689743	0	44	-1.0	-46.19	327.93	6.39	-39.80
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=C2)=N1	REAL300007689744	0	47	-1.0	-47.23	365.36	6.83	-40.40
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCC3)CCCCCC1	REAL300007689745	0	46	-1.0	-48.20	333.22	6.39	-41.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCCCCC1	REAL300007689746	0	45	-1.0	-50.34	344.24	3.22	-47.12
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)CCCCCC1	REAL300007689747	0	47	-1.0	-47.51	343.74	5.80	-41.71
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CCCCCC1	REAL300007689748	0	41	-1.0	-41.72	325.48	6.78	-34.94
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689749	0	51	-1.0	-49.05	371.26	7.20	-41.85
COC(CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1)C1CCCC1	REAL300007689750	0	51	-1.0	-45.08	355.57	6.03	-39.05
COC(CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1)C1CCCCC1	REAL300007689751	0	54	-1.0	-45.38	370.90	6.63	-38.75
CC1(C)CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)CO1	REAL300007689752	0	45	-1.0	-45.59	321.89	4.15	-41.44
CCOC(CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1)C1CC1	REAL300007689753	0	48	-1.0	-42.75	344.13	6.05	-36.70
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C(C)C	REAL300007689754	0	57	-1.0	-44.02	410.58	8.41	-35.61
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CN1CC1CC1	REAL300007689755	0	51	-1.0	-61.43	369.66	8.88	-52.55
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CCCCCC1	REAL300007689756	0	41	-1.0	-42.28	318.73	4.97	-37.31
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1[N+](=O)[O-]	REAL300007689757	0	46	-1.0	-42.38	343.98	7.88	-34.50
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689758	0	45	-1.0	-40.23	315.97	4.98	-35.25
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCCCCC1	REAL300007689759	0	51	-1.0	-47.18	383.29	7.79	-39.39
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689760	0	41	-1.0	-38.17	310.99	4.03	-34.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCCCCC1	REAL300007689761	0	48	-1.0	-51.14	346.89	8.82	-42.32
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C(C)C=C1OC	REAL300007689762	0	51	-1.0	-49.42	366.36	7.12	-42.30
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)=N1	REAL300007689763	0	39	-2.0	-146.62	314.59	5.29	-141.33
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300007689763	1	40	-1.0	-62.26	304.21	5.53	-56.73
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=CC=CC=C2C=C1	REAL300007689764	0	47	-1.0	-43.71	325.61	8.12	-35.59
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689765	0	47	-1.0	-44.92	348.29	3.77	-41.15
COC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689766	0	42	-1.0	-56.48	306.53	6.52	-49.96
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C(C)C	REAL300007689767	0	54	-1.0	-44.23	389.09	7.60	-36.63
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1F	REAL300007689768	0	50	-1.0	-46.48	357.60	7.62	-38.86
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCCCCC1	REAL300007689769	0	57	-1.0	-44.75	407.46	10.09	-34.66
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689770	0	48	-1.0	-43.03	328.50	5.26	-37.77
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C(C)(C)C)=N1	REAL300007689771	0	50	-1.0	-50.58	354.60	6.07	-44.51
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)CCCCCC1	REAL300007689772	0	48	-1.0	-42.32	345.62	5.52	-36.80
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689773	0	41	-1.0	-42.83	307.76	4.02	-38.81
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689774	0	45	-1.0	-46.31	340.22	5.71	-40.60
C=CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689775	0	48	-1.0	-44.34	356.35	8.14	-36.20
CCC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689776	0	44	-1.0	-44.69	323.71	4.32	-40.37
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCCCCC1	REAL300007689777	0	42	-1.0	-44.47	332.20	7.27	-37.20
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1CC	REAL300007689778	0	54	-1.0	-43.96	393.66	7.87	-36.09
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689779	0	44	-1.0	-39.00	326.34	7.36	-31.64
O=C([O-])C1(NS(=O)(=O)CCCC2CC2)CCCCCC1	REAL300007689780	0	44	-1.0	-41.45	320.29	6.38	-35.07
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2Cl)CCCCCC1	REAL300007689781	0	42	-1.0	-46.67	329.73	7.15	-39.52
CCCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689782	0	47	-1.0	-46.71	333.69	8.08	-38.63
COC1=NC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689783	0	41	-1.0	-58.94	300.61	3.61	-55.33
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)CCCCCC1	REAL300007689784	0	43	-1.0	-45.74	315.43	5.93	-39.81
CC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)N1C	REAL300007689785	0	41	-1.0	-50.50	299.85	4.21	-46.29
CC1=CSC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689786	0	41	-1.0	-40.88	299.72	5.99	-34.89
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCC3)N=C2)CCCCCC1	REAL300007689787	0	45	-1.0	-48.58	328.98	4.89	-43.69
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCC2)CCCCCC1	REAL300007689788	0	45	-1.0	-44.36	327.89	5.18	-39.18
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CCC2)CCCCCC1	REAL300007689789	0	48	-1.0	-42.94	338.77	6.39	-36.55
CC1(C)COC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=NN2C1	REAL300007689790	0	49	-1.0	-43.18	341.58	4.23	-38.95
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCCCCC1	REAL300007689791	0	44	-1.0	-45.46	345.27	6.32	-39.14
O=C([O-])C1(NS(=O)(=O)C2=CN=C3CCCCN23)CCCCCC1	REAL300007689792	0	45	-1.0	-59.47	319.21	5.99	-53.48
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1C	REAL300007689793	0	54	-1.0	-49.94	383.99	7.60	-42.34
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689794	0	48	-1.0	-49.42	356.23	6.85	-42.57
CC1CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)=C2O1	REAL300007689795	0	46	-1.0	-59.07	319.21	7.12	-51.95
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300007689796	0	46	-1.0	-42.39	347.24	5.07	-37.32
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCCCCC1	REAL300007689797	0	44	-1.0	-42.86	325.83	5.99	-36.87
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689798	0	43	-1.0	-55.55	315.05	4.64	-50.91
CCN1N=NC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689799	0	40	-1.0	-45.33	294.53	2.49	-42.84
O=C([O-])C1(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CCCCCC1	REAL300007689800	0	47	-1.0	-41.43	321.11	5.92	-35.51
O=C([O-])C1(NS(=O)(=O)C2=CC3=NON=C3C=C2)CCCCCC1	REAL300007689801	0	39	-1.0	-36.73	294.71	4.20	-32.53
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3S2)CCCCCC1	REAL300007689802	0	41	-1.0	-46.63	317.82	6.93	-39.70
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689803	0	45	-1.0	-45.39	331.88	5.11	-40.28
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=C1F	REAL300007689804	0	47	-1.0	-48.42	338.77	7.83	-40.59
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1OC	REAL300007689805	0	46	-1.0	-54.35	318.10	5.89	-48.46
O=C([O-])C1(NS(=O)(=O)C2=COC3=CC=CC=C23)CCCCCC1	REAL300007689806	0	41	-1.0	-43.01	295.99	5.28	-37.73
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C2CCCC2)=N1	REAL300007689807	0	51	-1.0	-47.80	370.74	6.33	-41.47
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689808	0	50	-1.0	-47.02	350.15	5.71	-41.31
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C)=N1	REAL300007689809	0	50	-1.0	-46.78	373.47	6.34	-40.44
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C2CC2)=N1	REAL300007689810	0	45	-1.0	-48.30	338.48	5.32	-42.98
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)CCCCCC1	REAL300007689811	0	42	-1.0	-47.19	318.40	4.93	-42.26
CN1N=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCCCC3)C=CC=C21	REAL300007689812	0	43	-1.0	-71.19	310.18	4.60	-66.59
CC1(C)CCCN(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300007689813	0	49	-1.0	-48.35	334.76	5.96	-42.39
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C2CCC2)=N1	REAL300007689814	0	48	-1.0	-47.59	353.25	5.88	-41.71
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689815	0	56	-1.0	-46.92	393.00	9.35	-37.57
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)CCCCCC1	REAL300007689816	0	48	-1.0	-48.19	353.08	5.84	-42.35
O=C([O-])C1(NS(=O)(=O)C2=C(C3CC3)C=CS2)CCCCCC1	REAL300007689817	0	42	-1.0	-47.79	319.98	6.70	-41.09
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=NC=CC=C2C=C1	REAL300007689818	0	47	-1.0	-52.39	342.72	6.56	-45.83
CCCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689819	0	47	-1.0	-44.37	343.48	7.57	-36.80
CN1N=C2CCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689820	0	45	-1.0	-43.71	317.13	4.69	-39.02
O=C([O-])C1(NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)CCCCCC1	REAL300007689821	0	44	-1.0	-59.42	299.16	5.10	-54.32
CC1=CC=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689822	0	44	-1.0	-41.74	306.24	7.07	-34.67
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689823	0	47	-1.0	-44.53	324.93	5.11	-39.42
CC(C)(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300007689824	0	47	-1.0	-42.99	343.95	4.92	-38.07
O=C([O-])C1(NS(=O)(=O)C2=CNN=C2C2CCC2)CCCCCC1	REAL300007689825	0	45	-1.0	-45.41	330.34	4.54	-40.87
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=CN=C1C(F)(F)F	REAL300007689826	0	43	-1.0	-42.10	330.49	5.16	-36.94
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CCCCCC1	REAL300007689827	0	41	-1.0	-36.95	323.63	6.46	-30.49
CC1=NN(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689828	0	41	-1.0	-42.65	291.76	3.65	-39.00
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1C	REAL300007689829	0	44	-1.0	-48.15	314.04	6.87	-41.28
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689830	0	49	-1.0	-54.80	364.07	7.42	-47.38
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)CCCCCC1	REAL300007689831	0	49	-1.0	-45.27	346.47	8.46	-36.81
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CCCCCC1	REAL300007689832	0	44	-1.0	-41.72	342.25	6.52	-35.20
O=C([O-])C1(NS(=O)(=O)N2CC3=CC=CC=C3C2)CCCCCC1	REAL300007689833	0	44	-1.0	-43.92	318.79	6.50	-37.42
CN(C1CCC1)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689834	0	43	-1.0	-42.77	297.69	4.94	-37.83
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=C2COCC3)CCCCCC1	REAL300007689835	0	45	-1.0	-46.22	334.93	3.92	-42.30
O=C([O-])C1(NC(=O)N2CCC(F)(F)CC2)CCCCCC1	REAL300007689836	0	42	-1.0	-56.85	300.23	8.21	-48.64
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2C(F)(F)F)CCCCCC1	REAL300007689837	0	38	-1.0	-40.60	299.57	5.90	-34.70
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)CCCCCC1	REAL300007689838	0	45	-1.0	-44.92	328.31	7.45	-37.47
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=CS1	REAL300007689839	0	39	-1.0	-47.64	302.25	5.12	-42.52
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCCC2)CCCCCC1	REAL300007689840	0	48	-1.0	-44.59	345.64	5.92	-38.67
CCC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689841	0	47	-1.0	-44.45	340.94	5.21	-39.24
CN(C(C)(C)C)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689842	0	45	-1.0	-42.33	300.23	5.18	-37.15
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)O1	REAL300007689843	0	41	-1.0	-47.61	307.75	5.91	-41.70
CN(C1CCCCCC1)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689844	0	52	-1.0	-41.98	345.49	6.76	-35.22
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C2CCOCC2)=N1	REAL300007689845	0	52	-1.0	-45.87	380.67	4.49	-41.38
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689846	0	44	-1.0	-46.61	333.06	6.92	-39.69
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)CCCCCC1	REAL300007689847	0	42	-1.0	-46.73	318.38	4.94	-41.79
O=C([O-])C1(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CCCCCC1	REAL300007689848	0	53	-1.0	-41.44	372.45	8.65	-32.79
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300007689849	0	39	-1.0	-41.63	302.38	3.85	-37.78
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=NC=CC=C12	REAL300007689850	0	49	-1.0	-49.87	346.52	8.14	-41.73
O=C([O-])C1(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)CCCCCC1	REAL300007689851	0	46	-1.0	-37.44	332.42	6.10	-31.34
O=C([O-])C1(NS(=O)(=O)C2=CN(CCF)N=C2)CCCCCC1	REAL300007689852	0	41	-1.0	-45.18	311.79	3.90	-41.28
CCOCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689853	0	48	-1.0	-45.19	356.01	6.04	-39.15
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689854	0	48	-1.0	-46.23	353.42	6.84	-39.39
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)CCCCCC1	REAL300007689855	0	51	-1.0	-42.79	365.66	6.14	-36.65
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CCCCCC1	REAL300007689856	0	49	-1.0	-43.61	368.45	8.29	-35.32
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CF)CCCCCC1	REAL300007689857	0	41	-1.0	-46.81	301.27	6.50	-40.31
CC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689858	0	40	-1.0	-46.10	295.54	4.07	-42.03
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C2=CC=CC=C12	REAL300007689859	0	47	-1.0	-49.26	338.07	8.28	-40.98
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(C2=CC=CC=C2)=N1	REAL300007689860	0	48	-1.0	-49.99	360.33	6.90	-43.09
O=C([O-])C1(NS(=O)(=O)N2CC3CC2C3)CCCCCC1	REAL300007689861	0	41	-1.0	-46.29	289.47	4.69	-41.60
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(F)C=C2)CCCCCC1	REAL300007689862	0	42	-1.0	-46.17	321.90	6.78	-39.39
CCOCCCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689863	0	44	-1.0	-41.11	322.71	4.07	-37.04
O=C([O-])C1(NS(=O)(=O)CCC2NC(=O)NC2=O)CCCCCC1	REAL300007689864	0	43	-1.0	-38.54	324.15	-0.58	-39.12
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CC=CN23)CCCCCC1	REAL300007689865	0	41	-1.0	-54.18	306.09	5.55	-48.63
O=C([O-])C1(NS(=O)(=O)C2CCC(F)(F)CC2)CCCCCC1	REAL300007689866	0	44	-1.0	-37.55	317.84	6.02	-31.53
O=C([O-])C1(NS(=O)(=O)C2=CC=C3SC=NC3=C2)CCCCCC1	REAL300007689867	0	40	-1.0	-49.97	310.55	4.78	-45.19
O=C([O-])C1(NS(=O)(=O)CCOC2CCOC2)CCCCCC1	REAL300007689868	0	46	-1.0	-46.30	336.67	2.76	-43.54
O=C([O-])C1(NS(=O)(=O)CC2COCCO2)CCCCCC1	REAL300007689869	0	43	-1.0	-44.67	310.49	2.91	-41.76
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C(C2=CC=CC=C2)O1	REAL300007689870	0	47	-1.0	-56.98	358.28	5.25	-51.73
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)=C(C2=CC=CC=C2)O1	REAL300007689870	1	46	-2.0	-147.67	365.26	5.19	-142.48
O=C([O-])C1(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CCCCCC1	REAL300007689871	0	55	-1.0	-62.65	358.80	8.49	-54.16
O=C([O-])C1(NS(=O)(=O)CCN2C=NN=N2)CCCCCC1	REAL300007689872	0	39	-1.0	-51.14	296.61	3.43	-47.71
CC1(C)COC(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300007689873	0	48	-1.0	-43.72	343.06	4.79	-38.93
O=C([O-])C1(NS(=O)(=O)CC2CS(=O)(=O)C2)CCCCCC1	REAL300007689874	0	41	-1.0	-43.63	312.27	1.23	-42.40
CC(C)(CS(=O)(=O)NC1(C(=O)[O-])CCCCCC1)C(C)(F)F	REAL300007689875	0	46	-1.0	-47.32	319.46	5.99	-41.33
CS(=O)(=O)CCCCS(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689876	0	46	-1.0	-54.47	352.32	2.38	-52.09
CC1(C)CCC(CS(=O)(=O)NC2(C(=O)[O-])CCCCCC2)OC1	REAL300007689877	0	51	-1.0	-45.22	355.41	5.98	-39.24
O=C([O-])C1(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CCCCCC1	REAL300007689878	0	48	-1.0	-41.23	351.74	7.86	-33.37
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=NSN=C32)CCCCCC1	REAL300007689879	0	42	-1.0	-51.66	329.84	4.60	-47.06
O=C([O-])C1(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CCCCCC1	REAL300007689880	0	48	-1.0	-42.11	364.75	8.43	-33.68
O=C([O-])C1(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CCCCCC1	REAL300007689881	0	47	-1.0	-42.78	335.50	2.89	-39.89
COCCC1(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300007689882	0	45	-1.0	-42.38	322.12	4.51	-37.87
CCN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300007689883	0	40	-1.0	-54.61	298.52	3.58	-51.03
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)=N1	REAL300007689883	1	39	-2.0	-128.67	307.09	3.30	-125.37
O=C([O-])C1(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CCCCCC1	REAL300007689884	0	51	-1.0	-42.47	349.10	7.59	-34.88
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)S2)CCCCCC1	REAL300007689885	0	42	-1.0	-43.98	322.39	6.71	-37.27
COC1=CC=C(C=C(C)S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300007689886	0	49	-1.0	-44.32	355.01	6.58	-37.74
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689887	0	43	-1.0	-44.26	310.05	2.57	-41.69
CC1=COC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300007689888	0	38	-1.0	-46.16	286.18	5.00	-41.16
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)O1	REAL300007689889	0	38	-1.0	-46.52	285.59	5.23	-41.29
CCC1=NNC=C1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689890	0	41	-1.0	-44.59	303.38	3.22	-41.37
COC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)=C1OC	REAL300007689891	0	43	-1.0	-43.51	328.75	4.14	-39.37
O=C([O-])C1(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCCCCC1	REAL300007689892	0	50	-1.0	-41.76	334.82	6.49	-35.27
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1(C(=O)[O-])CCCCCC1	REAL300007689893	0	49	-1.0	-41.20	357.18	8.13	-33.07
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CCCCCC1	REAL300007689894	0	42	-1.0	-43.03	326.04	6.58	-36.45
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)C(F)=C1	REAL300007689895	0	42	-1.0	-44.05	316.78	4.87	-39.18
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)C(F)=C1	REAL300007689895	1	41	-2.0	-136.55	320.81	5.59	-130.96
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CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300007707010	0	46	-1.0	-56.43	394.43	2.65	-53.78
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)CC1	REAL300007707011	0	40	-1.0	-56.74	357.26	-0.02	-56.76
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300007707012	0	46	-1.0	-59.75	394.43	2.65	-57.10
CC1=C(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)C=C(C(=O)[O-])O1	REAL300007707013	0	43	-1.0	-63.67	375.37	0.98	-62.69
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300007707014	0	42	-1.0	-55.12	367.44	0.07	-55.05
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])CC1	REAL300007707015	0	39	-1.0	-57.58	349.77	0.13	-57.45
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)CC1	REAL300007707016	0	39	-1.0	-61.70	353.83	-0.41	-62.11
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])CC1	REAL300007707017	0	42	-1.0	-60.06	358.49	0.95	-59.11
CS(=O)(=O)N1CCC(CNS(=O)(=O)CCCCCC(=O)[O-])CC1	REAL300007707018	0	48	-1.0	-60.62	401.28	2.06	-58.56
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300007707019	0	42	-1.0	-58.19	368.12	0.08	-58.11
CC1=CC(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)=CC=C1C(=O)[O-]	REAL300007707020	0	46	-1.0	-59.52	386.61	2.41	-57.11
CN(CCC(=O)[O-])S(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1	REAL300007707021	0	44	-1.0	-56.07	371.71	0.10	-55.97
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1	REAL300007707022	0	43	-1.0	-57.75	372.37	2.37	-55.38
CS(=O)(=O)N1CCC(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007707023	0	46	-1.0	-65.75	396.05	2.60	-63.15
CC1=CC=C(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)C=C1C(=O)[O-]	REAL300007707024	0	46	-1.0	-60.60	388.30	2.41	-58.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1	REAL300007707025	0	46	-1.0	-65.16	385.24	2.78	-62.38
CS(=O)(=O)N1CCC(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300007707026	0	46	-1.0	-54.51	382.84	1.75	-52.76
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300007707027	0	46	-1.0	-59.75	394.43	2.65	-57.10
CCC1=C(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)C=C(C(=O)[O-])O1	REAL300007707028	0	46	-1.0	-63.22	394.93	1.80	-61.42
CC1=NC=C(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)C=C1C(=O)[O-]	REAL300007707029	0	45	-1.0	-52.01	383.72	0.59	-51.42
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1	REAL300007707030	0	43	-1.0	-54.55	364.24	0.22	-54.33
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)=C1	REAL300007707031	0	43	-1.0	-56.10	374.98	0.84	-55.26
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)CC1	REAL300007707032	0	40	-1.0	-66.36	352.66	0.28	-66.08
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1	REAL300007707033	0	43	-1.0	-49.94	357.08	1.10	-48.84
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300007707034	0	40	-1.0	-60.83	346.72	-1.09	-61.92
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1	REAL300007707035	0	43	-1.0	-54.55	364.24	0.22	-54.33
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300007707036	0	42	-1.0	-57.53	365.71	0.20	-57.33
CS(=O)(=O)N1CCC(CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CC1	REAL300007707037	0	46	-1.0	-63.73	385.73	3.01	-60.72
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300007707038	0	42	-1.0	-63.54	368.33	0.09	-63.45
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CC1	REAL300007707039	0	40	-1.0	-50.16	355.74	-1.89	-52.05
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1	REAL300007707040	0	43	-1.0	-60.98	372.76	-0.34	-61.32
CS(=O)(=O)N1CCC(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300007707041	0	43	-1.0	-61.42	360.61	1.03	-60.39
CS(=O)(=O)N1CCC(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300007707042	0	46	-1.0	-62.50	379.42	1.56	-60.94
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)S1	REAL300007707043	0	43	-1.0	-57.64	383.53	1.60	-56.04
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300007707044	0	46	-1.0	-63.73	384.84	3.03	-60.70
CS(=O)(=O)N1CCC(CNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300007707045	0	43	-1.0	-62.52	367.27	1.21	-61.31
CS(=O)(=O)N1CCC(CNS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300007707046	0	48	-1.0	-56.89	379.28	1.95	-54.94
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CC1	REAL300007707047	0	40	-1.0	-50.16	355.74	-1.89	-52.05
CS(=O)(=O)N1CCC(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300007707048	0	45	-1.0	-53.27	374.31	0.59	-52.68
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300007707049	0	40	-1.0	-60.83	346.72	-1.09	-61.92
CS(=O)(=O)N1CCC(CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300007707050	0	43	-1.0	-68.50	352.16	1.63	-66.87
CC1=CC(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)=CN=C1C(=O)[O-]	REAL300007707051	0	45	-1.0	-59.51	384.94	0.63	-58.88
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300007707052	0	46	-1.0	-63.73	384.84	3.03	-60.70
CS(=O)(=O)N1CCC(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])CC1	REAL300007707053	0	42	-1.0	-50.75	357.20	0.94	-49.81
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007707054	0	45	-1.0	-52.45	387.03	7.75	-44.70
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007707055	0	45	-1.0	-56.99	385.83	7.69	-49.30
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007707056	0	48	-1.0	-59.97	403.15	8.14	-51.83
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007707057	0	48	-1.0	-58.96	409.88	8.53	-50.43
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007707058	0	42	-1.0	-51.86	375.48	7.35	-44.51
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007707059	0	45	-1.0	-56.99	385.83	7.69	-49.30
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007707060	0	45	-1.0	-52.45	387.03	7.75	-44.70
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007707061	0	45	-1.0	-55.10	381.19	8.39	-46.71
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007707062	0	43	-1.0	-55.58	377.25	5.52	-50.06
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007707063	0	45	-1.0	-55.71	396.35	5.64	-50.07
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007707064	0	42	-1.0	-51.66	380.44	6.91	-44.75
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007707065	0	42	-1.0	-58.81	367.94	4.56	-54.25
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007707066	0	50	-1.0	-56.34	408.97	6.58	-49.76
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007707067	0	50	-1.0	-53.74	408.02	6.60	-47.14
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007707068	0	45	-1.0	-55.10	381.19	8.39	-46.71
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007707069	0	42	-1.0	-54.09	373.56	6.20	-47.89
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007707070	0	45	-1.0	-54.23	392.12	6.67	-47.56
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)CCCC(=O)[O-]	REAL300007707071	0	44	-1.0	-54.64	376.46	6.54	-48.10
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007707072	0	47	-1.0	-54.17	394.09	6.26	-47.91
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007707073	0	48	-1.0	-58.56	414.22	8.64	-49.92
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007707074	0	50	-1.0	-53.74	408.02	6.60	-47.14
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007707075	0	48	-1.0	-61.31	414.22	8.62	-52.69
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007707076	0	42	-1.0	-54.09	373.56	6.20	-47.89
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)CCCC(=O)[O-]	REAL300007707077	0	44	-1.0	-54.64	376.46	6.54	-48.10
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007707078	0	42	-1.0	-54.02	385.02	6.55	-47.47
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300007707079	0	48	-1.0	-64.49	393.84	8.82	-55.67
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007707080	0	42	-1.0	-55.55	383.45	6.54	-49.01
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300007707081	0	48	-1.0	-52.96	401.46	8.28	-44.68
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007707082	0	48	-1.0	-52.55	409.27	8.54	-44.01
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007707083	0	42	-1.0	-53.41	374.06	5.94	-47.47
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007707084	0	48	-1.0	-56.45	406.98	8.41	-48.04
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300007707085	0	45	-1.0	-57.77	383.62	6.68	-51.09
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007707086	0	44	-1.0	-51.13	381.17	5.91	-45.22
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007707087	0	41	-1.0	-65.30	365.05	5.82	-59.48
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007707088	0	41	-1.0	-66.69	365.77	5.43	-61.26
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007707089	0	44	-1.0	-70.15	375.99	6.78	-63.37
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)CCCCCC(=O)[O-]	REAL300007707090	0	50	-1.0	-55.25	419.46	8.10	-47.15
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007707091	0	44	-1.0	-55.86	387.66	5.73	-50.13
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300007707092	0	48	-1.0	-51.84	409.48	8.36	-43.48
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)N(C)CCC(=O)[O-]	REAL300007707093	0	46	-1.0	-53.50	389.53	6.14	-47.36
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007707094	0	48	-1.0	-58.56	414.22	8.64	-49.92
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007707095	0	48	-1.0	-58.96	409.88	8.53	-50.43
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007707096	0	48	-1.0	-59.97	403.15	8.14	-51.83
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007707097	0	48	-1.0	-53.80	402.35	7.42	-46.38
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007707098	0	48	-1.0	-56.45	406.98	8.41	-48.04
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007707099	0	45	-1.0	-59.43	382.80	5.81	-53.62
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300007707100	0	45	-1.0	-55.39	390.88	6.76	-48.63
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007707101	0	42	-1.0	-59.52	369.05	6.38	-53.14
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007707102	0	45	-1.0	-53.37	371.07	7.26	-46.11
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007707103	0	42	-1.0	-58.81	367.94	4.56	-54.25
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007707104	0	45	-1.0	-59.43	382.80	5.81	-53.62
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007707105	0	44	-1.0	-55.13	388.64	5.65	-49.48
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007707106	0	48	-1.0	-62.54	404.42	9.09	-53.45
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007707107	0	44	-1.0	-58.55	383.30	5.91	-52.64
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007707108	0	42	-1.0	-49.35	374.04	4.15	-45.20
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007707109	0	45	-1.0	-61.05	393.34	5.27	-55.78
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007707110	0	45	-1.0	-54.90	377.17	6.85	-48.05
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007707111	0	48	-1.0	-55.36	396.91	7.12	-48.24
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007707112	0	48	-1.0	-61.49	403.20	8.67	-52.82
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007707113	0	45	-1.0	-56.60	385.63	7.16	-49.44
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007707114	0	50	-1.0	-57.49	400.36	7.59	-49.90
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007707115	0	42	-1.0	-49.35	374.04	4.15	-45.20
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007707116	0	47	-1.0	-67.57	392.46	6.57	-61.00
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007707117	0	42	-1.0	-58.81	367.94	4.56	-54.25
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007707118	0	45	-1.0	-60.80	370.75	7.15	-53.65
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007707119	0	48	-1.0	-61.49	403.20	8.67	-52.82
CC1=CC(C)=NN1C1=CC=CC=C1CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007707120	0	44	-1.0	-61.61	371.29	6.83	-54.78
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)C=C1	REAL300007707121	0	42	-1.0	-51.93	381.62	8.24	-43.69
O=C([O-])C1=CC=CC(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)=C1	REAL300007707122	0	42	-1.0	-52.95	379.50	8.53	-44.42
O=C([O-])C1=CC=CC(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)=C1	REAL300007707123	0	42	-1.0	-52.95	379.50	8.53	-44.42
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)C=C1	REAL300007707124	0	42	-1.0	-51.93	381.62	8.24	-43.69
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707125	0	42	-1.0	-47.01	372.42	9.24	-37.77
O=C([O-])C1=CC(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)=CN1	REAL300007707126	0	40	-1.0	-52.54	367.88	6.34	-46.20
O=C([O-])C1=CNN=C1S(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707127	0	39	-1.0	-51.63	361.58	5.36	-46.27
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707128	0	42	-1.0	-47.01	372.42	9.24	-37.77
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)O1	REAL300007707129	0	39	-1.0	-53.46	369.34	6.72	-46.74
O=C([O-])CCCS(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707130	0	41	-1.0	-52.09	367.36	6.85	-45.24
O=C([O-])C1CCCN1S(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707131	0	44	-1.0	-58.71	373.80	7.61	-51.10
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)O1	REAL300007707132	0	39	-1.0	-53.46	369.34	6.72	-46.74
O=C([O-])CCCS(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707133	0	41	-1.0	-52.09	367.36	6.85	-45.24
O=C([O-])C1=COC(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)=C1	REAL300007707134	0	39	-1.0	-50.74	369.58	6.46	-44.28
O=C([O-])CCCCCS(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707135	0	47	-1.0	-53.30	410.36	8.41	-44.89
CN(CCC(=O)[O-])S(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707136	0	43	-1.0	-48.78	379.82	6.41	-42.37
O=C([O-])CC1(CS(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)CC1	REAL300007707137	0	45	-1.0	-48.51	389.32	8.41	-40.10
O=C([O-])C1=C(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)OC=C1	REAL300007707138	0	39	-1.0	-52.72	362.73	7.18	-45.54
O=C([O-])C1(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)CCC1	REAL300007707139	0	42	-1.0	-44.16	361.74	7.33	-36.83
O=C([O-])C1=CNN=C1S(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707140	0	39	-1.0	-51.63	361.58	5.36	-46.27
O=C([O-])C1=CC(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)=NN1	REAL300007707141	0	39	-1.0	-46.97	365.28	4.70	-42.27
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)C1	REAL300007707142	0	42	-1.0	-53.23	371.63	7.38	-45.85
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)C1	REAL300007707143	0	45	-1.0	-56.11	386.60	7.81	-48.30
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707144	0	42	-1.0	-56.32	380.77	7.63	-48.69
O=C([O-])C1=CC(S(=O)(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)=NN1	REAL300007707145	0	39	-1.0	-46.97	365.28	4.70	-42.27
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707146	0	44	-1.0	-58.00	379.92	7.35	-50.65
O=C([O-])C1=CNN=C1S(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707147	0	39	-1.0	-51.63	361.58	5.36	-46.27
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007707148	0	42	-1.0	-55.97	361.86	7.97	-48.00
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007707149	0	34	-1.0	-49.36	338.86	5.13	-44.23
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007707150	0	34	-1.0	-54.21	337.89	5.10	-49.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=NC(C(F)(F)F)=CS1	REAL300007707151	0	37	-1.0	-66.66	346.24	5.54	-61.12
CC1=CC=C(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)C=C1C(=O)[O-]	REAL300007707152	0	37	-1.0	-53.66	353.92	5.64	-48.02
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007707153	0	31	-1.0	-49.17	314.20	4.29	-44.88
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007707154	0	34	-1.0	-54.21	337.89	5.10	-49.11
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007707155	0	34	-1.0	-49.36	338.86	5.13	-44.23
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007707156	0	34	-1.0	-78.09	331.94	6.39	-71.70
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007707157	0	32	-1.0	-52.19	326.40	2.83	-49.36
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007707158	0	34	-1.0	-58.95	339.34	3.26	-55.69
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007707159	0	31	-1.0	-46.54	330.14	4.23	-42.31
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007707160	0	31	-1.0	-50.71	311.30	2.02	-48.69
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007707161	0	39	-1.0	-49.54	356.66	4.23	-45.31
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007707162	0	39	-1.0	-47.40	357.85	4.30	-43.10
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007707163	0	34	-1.0	-78.09	331.94	6.39	-71.70
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007707164	0	31	-1.0	-47.26	324.49	3.38	-43.88
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)O1	REAL300007707165	0	34	-1.0	-49.65	343.60	3.95	-45.70
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)CCCC(=O)[O-]	REAL300007707166	0	33	-1.0	-51.98	324.28	3.78	-48.20
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007707167	0	36	-1.0	-55.35	338.76	4.00	-51.35
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007707168	0	37	-1.0	-60.56	361.60	6.03	-54.53
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007707169	0	39	-1.0	-47.40	357.85	4.30	-43.10
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007707170	0	37	-1.0	-57.97	362.05	5.88	-52.09
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007707171	0	31	-1.0	-47.26	324.49	3.38	-43.88
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)CCCC(=O)[O-]	REAL300007707172	0	33	-1.0	-51.98	324.28	3.78	-48.20
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007707173	0	31	-1.0	-54.89	323.34	4.23	-50.66
CC1=CC=CC(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)=C1C(=O)[O-]	REAL300007707174	0	37	-1.0	-54.49	346.23	6.11	-48.38
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007707175	0	31	-1.0	-52.56	330.53	4.17	-48.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)CC1=NC(C(F)(F)F)=CS1	REAL300007707176	0	37	-1.0	-52.94	340.96	5.39	-47.55
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007707177	0	37	-1.0	-49.28	361.05	5.91	-43.37
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007707178	0	31	-1.0	-55.63	319.20	3.08	-52.55
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007707179	0	37	-1.0	-52.95	361.05	5.90	-47.05
CC1=C(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)C=C(C(=O)[O-])O1	REAL300007707180	0	34	-1.0	-54.00	334.27	4.02	-49.98
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007707181	0	33	-1.0	-47.96	333.06	3.31	-44.65
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007707182	0	30	-1.0	-63.90	319.39	3.17	-60.73
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007707183	0	30	-1.0	-61.50	318.34	2.82	-58.68
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007707184	0	33	-1.0	-67.29	329.27	4.42	-62.87
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)CCCCCC(=O)[O-]	REAL300007707185	0	39	-1.0	-53.79	367.28	5.34	-48.45
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007707186	0	33	-1.0	-59.90	327.70	3.76	-56.14
CC1=CC(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)=CC=C1C(=O)[O-]	REAL300007707187	0	37	-1.0	-48.35	353.88	5.65	-42.70
CN(CCC(=O)[O-])S(=O)(=O)N(C)CC1=NC(C(F)(F)F)=CS1	REAL300007707188	0	35	-1.0	-44.44	333.54	3.15	-41.29
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007707189	0	37	-1.0	-60.56	361.60	6.03	-54.53
CC1=CC=C(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)C=C1C(=O)[O-]	REAL300007707190	0	37	-1.0	-53.66	353.92	5.64	-48.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=NC(C(F)(F)F)=CS1	REAL300007707191	0	37	-1.0	-66.66	346.24	5.54	-61.12
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007707192	0	37	-1.0	-48.43	348.82	5.01	-43.42
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007707193	0	37	-1.0	-52.95	361.05	5.90	-47.05
CCC1=C(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)C=C(C(=O)[O-])O1	REAL300007707194	0	37	-1.0	-53.55	353.29	4.61	-48.94
CC1=NC=C(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)C=C1C(=O)[O-]	REAL300007707195	0	36	-1.0	-43.86	350.33	3.78	-40.08
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007707196	0	34	-1.0	-44.49	328.09	3.36	-41.13
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)=C1	REAL300007707197	0	34	-1.0	-47.76	341.56	4.08	-43.68
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007707198	0	31	-1.0	-52.37	312.34	3.85	-48.52
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007707199	0	34	-1.0	-48.18	317.94	4.17	-44.01
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007707200	0	31	-1.0	-50.71	311.30	2.02	-48.69
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007707201	0	34	-1.0	-44.49	328.09	3.36	-41.13
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007707202	0	33	-1.0	-45.74	336.28	3.15	-42.59
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007707203	0	37	-1.0	-56.04	348.26	6.06	-49.98
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007707204	0	33	-1.0	-52.27	333.96	3.33	-48.94
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007707205	0	31	-1.0	-43.04	323.41	1.29	-41.75
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007707206	0	34	-1.0	-53.14	336.41	2.74	-50.40
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007707207	0	34	-1.0	-56.08	327.83	4.44	-51.64
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007707208	0	37	-1.0	-54.12	342.80	4.80	-49.32
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007707209	0	37	-1.0	-57.43	353.22	6.17	-51.26
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007707210	0	34	-1.0	-53.68	334.96	4.48	-49.20
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007707211	0	39	-1.0	-47.68	345.42	4.94	-42.74
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007707212	0	31	-1.0	-43.04	323.41	1.29	-41.75
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007707213	0	36	-1.0	-67.87	339.80	4.07	-63.80
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007707214	0	31	-1.0	-50.71	311.30	2.02	-48.69
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007707215	0	34	-1.0	-56.24	318.56	4.87	-51.37
CC1=CC(S(=O)(=O)N(C)CC2=NC(C(F)(F)F)=CS2)=CN=C1C(=O)[O-]	REAL300007707216	0	36	-1.0	-52.25	350.56	3.85	-48.40
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007707217	0	37	-1.0	-57.43	353.22	6.17	-51.26
CN(CC1=NC(C(F)(F)F)=CS1)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007707218	0	33	-1.0	-55.79	326.46	4.47	-51.32
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707219	0	39	-1.0	-49.37	356.66	5.55	-43.82
C[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707220	0	39	-1.0	-55.00	356.71	5.54	-49.46
C[C@H](NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707221	0	36	-1.0	-47.26	341.14	5.35	-41.91
C[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707222	0	39	-1.0	-55.00	356.71	5.54	-49.46
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707223	0	39	-1.0	-49.37	356.66	5.55	-43.82
C[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707224	0	39	-1.0	-50.40	347.23	6.46	-43.94
C[C@H](NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707225	0	37	-1.0	-52.63	345.95	3.26	-49.37
C[C@H](NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707226	0	39	-1.0	-51.48	362.10	3.69	-47.79
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707227	0	36	-1.0	-47.04	349.45	4.68	-42.36
C[C@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707228	0	36	-1.0	-52.13	333.99	2.64	-49.49
C[C@H](NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707229	0	44	-1.0	-45.82	373.08	4.62	-41.20
C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707230	0	44	-1.0	-47.05	373.57	4.64	-42.41
C[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707231	0	39	-1.0	-50.40	347.23	6.46	-43.94
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707232	0	36	-1.0	-48.13	342.67	3.97	-44.16
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H](C)C2=CC=C(OC(F)(F)F)C=C2)O1	REAL300007707233	0	39	-1.0	-50.36	360.91	4.42	-45.94
C[C@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707234	0	38	-1.0	-52.07	342.23	4.20	-47.87
C[C@H](NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707235	0	41	-1.0	-55.84	354.99	4.64	-51.20
C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707236	0	44	-1.0	-47.05	373.57	4.64	-42.41
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707237	0	36	-1.0	-48.13	342.67	3.97	-44.16
C[C@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707238	0	38	-1.0	-52.07	342.23	4.20	-47.87
C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707239	0	36	-1.0	-50.89	350.51	4.60	-46.29
C[C@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707240	0	36	-1.0	-52.98	348.62	4.59	-48.39
C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707241	0	36	-1.0	-49.86	342.91	3.71	-46.15
CC1=C(S(=O)(=O)N[C@@H](C)C2=CC=C(OC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300007707242	0	39	-1.0	-51.86	362.88	4.69	-47.17
C[C@H](NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707243	0	38	-1.0	-45.56	351.88	3.74	-41.82
C[C@H](NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707244	0	35	-1.0	-51.53	335.65	3.85	-47.68
C[C@H](NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707245	0	35	-1.0	-62.84	337.25	3.20	-59.64
C[C@H](NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707246	0	38	-1.0	-53.73	343.91	4.67	-49.06
C[C@H](NS(=O)(=O)CCCCCC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707247	0	44	-1.0	-53.71	385.23	5.76	-47.95
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707248	0	38	-1.0	-50.97	352.58	3.72	-47.25
C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707249	0	40	-1.0	-49.18	355.74	3.73	-45.45
C[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707250	0	42	-1.0	-49.45	366.83	5.46	-43.99
C[C@H](NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707251	0	39	-1.0	-47.54	348.04	3.87	-43.67
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@@H](C)C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300007707252	0	39	-1.0	-48.94	360.63	4.55	-44.39
C[C@H](NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707253	0	36	-1.0	-54.01	335.10	4.45	-49.56
C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707254	0	39	-1.0	-43.49	338.84	4.72	-38.77
C[C@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707255	0	36	-1.0	-52.13	333.99	2.64	-49.49
C[C@H](NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707256	0	39	-1.0	-47.54	348.04	3.87	-43.67
C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707257	0	38	-1.0	-50.52	351.30	3.97	-46.55
C[C@H](NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707258	0	38	-1.0	-57.07	352.81	3.77	-53.30
C[C@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707259	0	36	-1.0	-44.67	339.16	1.92	-42.75
C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707260	0	39	-1.0	-53.83	359.02	3.31	-50.52
C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707261	0	39	-1.0	-54.33	346.28	4.70	-49.63
C[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707262	0	42	-1.0	-55.27	363.10	5.25	-50.02
C[C@H](NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707263	0	39	-1.0	-53.67	352.87	4.89	-48.78
C[C@H](NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707264	0	44	-1.0	-49.43	364.77	5.64	-43.79
C[C@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007707265	0	36	-1.0	-44.67	339.16	1.92	-42.75
C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707266	0	41	-1.0	-45.45	355.55	4.33	-41.12
C[C@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707267	0	36	-1.0	-52.13	333.99	2.64	-49.49
C[C@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707268	0	39	-1.0	-57.00	336.60	5.29	-51.71
C[C@H](NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007707269	0	38	-1.0	-44.54	342.77	4.67	-39.87
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=C1	REAL300007707270	0	33	-1.0	-48.36	314.31	7.61	-40.75
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300007707271	0	33	-1.0	-55.20	314.34	7.60	-47.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707272	0	36	-1.0	-58.75	322.29	8.06	-50.69
CC1=CC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=C1C(=O)[O-]	REAL300007707273	0	36	-1.0	-50.15	330.36	8.14	-42.01
O=C([O-])C1=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=CS1	REAL300007707274	0	30	-1.0	-58.71	300.24	7.20	-51.51
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300007707275	0	33	-1.0	-55.20	314.34	7.60	-47.60
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=C1	REAL300007707276	0	33	-1.0	-48.36	314.31	7.61	-40.75
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707277	0	33	-1.0	-63.53	305.95	8.49	-55.04
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=CN1	REAL300007707278	0	31	-1.0	-52.49	302.85	5.33	-47.16
O=C([O-])CN1C=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=N1	REAL300007707279	0	33	-1.0	-51.76	318.89	5.73	-46.03
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)S1	REAL300007707280	0	30	-1.0	-46.54	306.60	6.73	-39.81
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707281	0	30	-1.0	-49.16	287.46	4.43	-44.73
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707282	0	33	-1.0	-63.53	305.95	8.49	-55.04
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)O1	REAL300007707283	0	30	-1.0	-47.93	299.09	5.97	-41.96
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)O1	REAL300007707284	0	33	-1.0	-50.10	317.31	6.44	-43.66
O=C([O-])CCCS(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707285	0	32	-1.0	-51.05	300.43	6.23	-44.82
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=C1	REAL300007707286	0	36	-1.0	-56.56	338.18	8.34	-48.22
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300007707287	0	36	-1.0	-60.23	338.19	8.32	-51.91
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)O1	REAL300007707288	0	30	-1.0	-47.93	299.09	5.97	-41.96
O=C([O-])CCCS(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707289	0	32	-1.0	-51.05	300.43	6.23	-44.82
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300007707290	0	30	-1.0	-50.80	307.57	6.63	-44.17
CC1=CC=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1C(=O)[O-]	REAL300007707291	0	36	-1.0	-69.78	333.20	8.59	-61.19
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=CS1	REAL300007707292	0	30	-1.0	-52.90	305.99	6.65	-46.25
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707293	0	36	-1.0	-47.87	316.79	7.91	-39.96
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=C1	REAL300007707294	0	36	-1.0	-48.65	336.50	8.39	-40.26
O=C([O-])C1=COC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300007707295	0	30	-1.0	-49.47	299.34	5.71	-43.76
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300007707296	0	36	-1.0	-53.14	336.51	8.38	-44.76
CC1=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=C(C(=O)[O-])O1	REAL300007707297	0	33	-1.0	-54.96	311.75	6.58	-48.38
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300007707298	0	32	-1.0	-48.45	309.50	5.81	-42.64
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707299	0	29	-1.0	-64.18	295.88	5.73	-58.45
O=C([O-])C1=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)SC=N1	REAL300007707300	0	29	-1.0	-60.53	294.80	5.33	-55.20
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707301	0	32	-1.0	-65.75	302.70	6.65	-59.10
O=C([O-])CCCCCS(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707302	0	38	-1.0	-52.38	343.42	7.79	-44.59
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=N1	REAL300007707303	0	32	-1.0	-49.98	310.19	5.81	-44.17
CC1=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=CC=C1C(=O)[O-]	REAL300007707304	0	36	-1.0	-47.60	330.34	8.15	-39.45
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=C1	REAL300007707305	0	36	-1.0	-56.56	338.18	8.34	-48.22
CC1=CC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=C1C(=O)[O-]	REAL300007707306	0	36	-1.0	-50.15	330.36	8.14	-42.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707307	0	36	-1.0	-58.75	322.29	8.06	-50.69
O=C([O-])CC1(CS(=O)(=O)N2CCC3=CC(Br)=CC=C32)CC1	REAL300007707308	0	36	-1.0	-49.58	324.96	7.47	-42.11
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300007707309	0	36	-1.0	-53.14	336.51	8.38	-44.76
CC1=NC=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C=C1C(=O)[O-]	REAL300007707310	0	35	-1.0	-44.47	325.77	6.32	-38.15
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707311	0	33	-1.0	-47.72	300.80	5.73	-41.99
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=C1	REAL300007707312	0	33	-1.0	-48.92	317.06	6.57	-42.35
O=C([O-])C1=C(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)OC=C1	REAL300007707313	0	30	-1.0	-50.00	288.32	6.24	-43.76
O=C([O-])C1(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)CCC1	REAL300007707314	0	33	-1.0	-45.06	292.30	6.55	-38.51
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707315	0	30	-1.0	-49.16	287.46	4.43	-44.73
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707316	0	33	-1.0	-47.72	300.80	5.73	-41.99
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=NN1	REAL300007707317	0	30	-1.0	-43.93	297.81	3.87	-40.06
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707318	0	33	-1.0	-52.95	316.44	5.26	-47.69
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C1	REAL300007707319	0	33	-1.0	-53.08	304.29	6.72	-46.36
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC3=CC(Br)=CC=C32)C1	REAL300007707320	0	36	-1.0	-53.28	318.90	7.24	-46.04
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707321	0	36	-1.0	-63.68	329.39	8.73	-54.95
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707322	0	33	-1.0	-52.71	311.06	6.93	-45.78
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=NN1	REAL300007707323	0	30	-1.0	-43.93	297.81	3.87	-40.06
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707324	0	33	-1.0	-58.22	296.44	7.44	-50.78
CC1=CC(S(=O)(=O)N2CCC3=CC(Br)=CC=C32)=CN=C1C(=O)[O-]	REAL300007707325	0	35	-1.0	-51.49	327.01	6.36	-45.13
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707326	0	36	-1.0	-63.68	329.39	8.73	-54.95
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC2=CC(Br)=CC=C21	REAL300007707327	0	32	-1.0	-57.43	302.85	6.81	-50.62
CCC(C)C(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007707328	0	39	-1.0	-48.78	332.38	4.73	-44.05
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707329	0	46	-1.0	-42.80	366.05	6.74	-36.06
CCC(C)C(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007707330	0	31	-1.0	-38.89	296.34	3.79	-35.10
CCC(C)C(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007707331	0	41	-1.0	-47.43	336.63	4.61	-42.82
CCC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007707332	0	37	-1.0	-55.41	322.54	5.67	-49.74
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007707333	0	38	-1.0	-43.00	332.60	4.53	-38.47
CCC(C)C(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007707334	0	40	-1.0	-52.22	348.06	1.69	-50.53
CCC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007707335	0	38	-1.0	-50.05	331.36	3.89	-46.16
CCC(C)C(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007707336	0	45	-1.0	-57.35	360.62	4.24	-53.11
CCC(C)C(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007707337	0	37	-1.0	-51.90	317.60	5.47	-46.43
CCC(C)C(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007707338	0	40	-1.0	-48.79	324.07	3.18	-45.61
CCC(C)C(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007707339	0	50	-1.0	-43.16	386.19	7.89	-35.27
CCC(C)C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007707340	0	40	-1.0	-57.32	330.56	3.24	-54.08
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007707341	0	34	-1.0	-54.48	302.79	4.79	-49.69
CCC(C)C(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007707342	0	34	-1.0	-40.83	310.90	4.87	-35.96
CCC(C)C(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707343	0	39	-1.0	-59.76	323.40	6.48	-53.28
CCC(C)C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007707344	0	40	-1.0	-55.76	347.93	6.09	-49.67
CCC(C)C(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007707345	0	44	-1.0	-46.65	374.10	0.71	-45.94
CCC(C)C(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007707346	0	45	-1.0	-44.57	374.05	6.08	-38.49
CCC(C)C(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007707347	0	37	-1.0	-54.04	316.75	4.89	-49.15
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007707348	0	40	-1.0	-46.90	336.98	4.76	-42.14
CCC(C)C(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007707349	0	41	-1.0	-42.54	342.44	3.90	-38.64
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=N1	REAL300007707350	0	40	-1.0	-51.06	339.87	1.79	-49.27
CCC(C)C(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007707351	0	43	-1.0	-53.36	372.40	2.38	-50.98
CCC(C)C(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007707352	0	39	-1.0	-47.81	330.82	0.07	-47.74
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007707353	0	44	-1.0	-55.52	347.00	4.94	-50.58
CCC(C)C(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007707354	0	39	-1.0	-45.70	344.30	4.66	-41.04
CCC(C)C(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007707355	0	37	-1.0	-56.62	331.00	5.42	-51.20
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007707356	0	39	-1.0	-48.18	332.55	4.65	-43.53
CCC(C)C(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007707357	0	43	-1.0	-58.24	361.49	5.34	-52.90
CCC(C)C(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300007707358	0	43	-1.0	-45.13	343.34	4.02	-41.11
CCC(C)C(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007707359	0	40	-1.0	-52.80	336.28	3.27	-49.53
CCC(C)C(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007707360	0	43	-1.0	-61.78	349.59	5.59	-56.19
CCC(C)C(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007707361	0	40	-1.0	-60.35	329.77	4.73	-55.62
CCC(C)C(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007707362	0	40	-1.0	-50.31	328.14	2.52	-47.79
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007707363	0	46	-1.0	-58.27	335.26	6.38	-51.89
CCC(C)C(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007707364	0	42	-1.0	-55.09	358.05	3.66	-51.43
CCC(C)C(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007707365	0	42	-1.0	-53.29	358.35	3.93	-49.36
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007707366	0	37	-1.0	-44.48	331.02	5.44	-39.04
CCC(C)C(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007707367	0	37	-1.0	-52.46	307.12	5.07	-47.39
CCC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007707368	0	40	-1.0	-43.12	344.69	6.99	-36.13
CCC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007707369	0	39	-1.0	-51.34	335.43	5.68	-45.66
CCC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007707370	0	38	-1.0	-45.46	336.99	3.89	-41.57
CCC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007707371	0	41	-1.0	-54.44	352.27	5.32	-49.12
CCC(C)C(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007707372	0	49	-1.0	-48.50	380.15	5.17	-43.33
CCC(C)C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007707373	0	37	-1.0	-43.01	319.55	5.03	-37.98
CCC(C)C(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007707374	0	45	-1.0	-49.10	367.37	3.69	-45.41
CN1N=NC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708001	0	34	-1.0	-46.80	302.06	2.42	-44.38
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=C1	REAL300007708002	0	42	-1.0	-42.67	381.09	6.08	-36.59
CC1=CC=C(CS(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300007708003	0	41	-1.0	-55.20	355.92	7.09	-48.11
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007708004	0	47	0.0	-74.54	383.64	7.56	-66.98
O=C([O-])CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C1=CC=CC=C1	REAL300007708005	0	35	-1.0	-48.97	338.56	5.89	-43.08
O=C([O-])CC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300007708006	0	48	-1.0	-44.49	396.47	9.14	-35.35
CC(C)(C)C1=CC(CS(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=NO1	REAL300007708007	0	46	-1.0	-48.06	389.46	6.58	-41.48
O=C([O-])CC(NS(=O)(=O)CCC1CCC1)C1=CC=CC=C1	REAL300007708008	0	41	-1.0	-42.54	341.30	6.40	-36.14
CC(C)(C)CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708009	0	46	-1.0	-42.16	369.21	6.76	-35.40
O=C([O-])CC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C1=CC=CC=C1	REAL300007708010	0	44	-1.0	-59.21	365.89	2.84	-56.37
O=C([O-])CC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1=CC=CC=C1	REAL300007708011	0	38	-1.0	-53.08	349.46	6.52	-46.56
CC1=C(CCS(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)SC=N1	REAL300007708012	0	40	-1.0	-44.68	356.50	5.06	-39.62
COCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300007708013	0	39	-1.0	-58.29	328.88	5.24	-53.05
O=C([O-])CC(NS(=O)(=O)CC12CCC(CC1)C2)C1=CC=CC=C1	REAL300007708014	0	45	-1.0	-56.93	359.75	7.49	-49.44
O=C([O-])CC(NS(=O)(=O)CC1CC(F)(F)C1)C1=CC=CC=C1	REAL300007708015	0	38	-1.0	-40.60	332.44	5.78	-34.82
COC1=CC=C2C=C(S(=O)(=O)NC(CC(=O)[O-])C3=CC=CC=C3)CCC2=C1	REAL300007708016	0	47	-1.0	-46.75	391.63	7.53	-39.22
O=C([O-])CC(NS(=O)(=O)CC12CCC(CC1)CC2)C1=CC=CC=C1	REAL300007708017	0	48	-1.0	-49.48	362.18	7.67	-41.81
O=C([O-])CC(NS(=O)(=O)CCC1CCOC1)C1=CC=CC=C1	REAL300007708018	0	42	-1.0	-43.81	346.43	4.33	-39.48
CC(C)(CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1)S(C)(=O)=O	REAL300007708019	0	46	-1.0	-56.43	380.82	2.94	-53.49
O=C([O-])CC(NS(=O)(=O)CC1CCCCC1(F)F)C1=CC=CC=C1	REAL300007708020	0	44	-1.0	-47.71	356.66	7.07	-40.64
O=C([O-])CC(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=CC=CC=C1	REAL300007708021	0	42	-1.0	-49.11	356.50	7.82	-41.29
CN1C=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300007708022	0	35	-1.0	-50.60	314.87	3.33	-47.27
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300007708023	0	43	-1.0	-47.64	370.89	7.68	-39.96
O=C([O-])CC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300007708024	0	35	-1.0	-41.56	325.95	6.37	-35.19
O=C([O-])CC(NS(=O)(=O)C1=CC=C(Br)C=C1)C1=CC=CC=C1	REAL300007708025	0	35	-1.0	-41.58	330.51	6.49	-35.09
O=C([O-])CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=CC=CC=C1	REAL300007708026	0	37	-1.0	-47.72	333.44	6.33	-41.39
O=C([O-])CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C1=CC=CC=C1	REAL300007708027	0	41	-1.0	-47.41	355.08	8.10	-39.31
O=C([O-])CC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC=CC=C1	REAL300007708028	0	37	-1.0	-47.15	333.48	6.31	-40.84
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708029	0	40	-1.0	-39.65	354.56	7.36	-32.29
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007708030	0	39	-1.0	-45.37	338.70	5.15	-40.22
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300007708031	0	37	-1.0	-51.65	317.75	7.53	-44.12
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007708032	0	38	-1.0	-50.63	327.50	6.34	-44.29
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007708033	0	42	-1.0	-49.44	356.56	5.88	-43.56
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=C1C	REAL300007708034	0	47	-1.0	-45.11	368.20	8.38	-36.73
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300007708035	0	44	-1.0	-46.03	362.92	8.33	-37.70
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708036	0	50	-1.0	-46.26	383.80	8.93	-37.33
O=C([O-])CC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C1=CC=CC=C1	REAL300007708037	0	38	-1.0	-44.03	348.34	6.87	-37.16
CC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=C1	REAL300007708038	0	38	-1.0	-45.05	330.69	6.51	-38.54
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CC1(C)CCN(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300007708440	0	46	-1.0	-53.82	353.35	6.47	-47.35
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708441	0	38	-1.0	-44.56	345.75	3.85	-40.71
COC1=NC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300007708442	0	41	-1.0	-45.61	356.59	3.21	-42.40
CC(C)CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007708443	0	44	-1.0	-48.22	372.78	5.98	-42.24
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708444	0	44	-1.0	-47.08	356.96	5.47	-41.61
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COCC1=CC(CS(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=NO1	REAL300007708446	0	41	-1.0	-57.27	365.56	3.98	-53.29
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)N=C1	REAL300007708447	0	46	-1.0	-46.95	382.29	6.30	-40.65
CC(C)N1N=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708448	0	41	-1.0	-44.30	349.76	5.06	-39.24
O=C([O-])CC(NS(=O)(=O)C1=CC=NN1CC1CC1)C1=CC=CC=C1	REAL300007708449	0	42	-1.0	-47.07	350.00	5.91	-41.16
O=C([O-])CC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C1=CC=CC=C1	REAL300007708450	0	42	-1.0	-50.20	363.49	7.08	-43.12
O=C([O-])CC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C1=CC=CC=C1	REAL300007708451	0	37	-1.0	-47.18	338.09	4.84	-42.34
O=C([O-])CC(NS(=O)(=O)N1CCC2=CC=CN=C21)C1=CC=CC=C1	REAL300007708452	0	40	-1.0	-48.53	344.39	6.40	-42.13
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=NN1C(C)C	REAL300007708453	0	44	-1.0	-49.68	370.74	5.60	-44.08
O=C([O-])CC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C1=CC=CC=C1	REAL300007708454	0	40	-1.0	-62.12	341.00	7.39	-54.73
CC1=CN=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300007708455	0	40	-1.0	-46.57	342.67	5.35	-41.22
CC1=CN=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708456	0	37	-1.0	-44.33	305.72	4.95	-39.38
O=C([O-])CC(NS(=O)(=O)N1CC=C(Br)CC1)C1=CC=CC=C1	REAL300007708457	0	38	-1.0	-51.59	341.76	5.72	-45.87
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708458	0	43	-1.0	-59.23	365.96	1.81	-57.42
O=C([O-])CC(NS(=O)(=O)N1CC2CCC(C1)O2)C1=CC=CC=C1	REAL300007708459	0	42	-1.0	-54.71	322.97	4.12	-50.59
N#CC1CCN(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300007708460	0	41	-1.0	-41.48	346.46	5.55	-35.93
COC1=CC=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=C1	REAL300007708461	0	38	-1.0	-48.80	335.33	3.36	-45.44
C=CCN(CC=C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708462	0	41	-1.0	-54.72	351.14	6.62	-48.10
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(C(F)F)=C1	REAL300007708463	0	42	-1.0	-47.80	364.23	6.69	-41.11
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)N=C1	REAL300007708464	0	38	-1.0	-46.66	335.31	3.28	-43.38
CC1=CC=CN=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708465	0	37	-1.0	-56.66	317.46	4.60	-52.06
O=C([O-])CC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C1=CC=CC=C1	REAL300007708466	0	40	-1.0	-55.29	344.22	7.15	-48.14
CCOC1=CC=CN=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007708467	0	41	-1.0	-64.55	349.40	6.13	-58.42
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C2=NC=CC=C12	REAL300007708468	0	43	-1.0	-53.60	369.37	7.01	-46.59
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300007708469	0	37	-1.0	-44.34	326.14	4.69	-39.65
O=C([O-])CC(NS(=O)(=O)C1=CNC2=CC=CC=C21)C1=CC=CC=C1	REAL300007708470	0	39	-1.0	-49.10	339.84	5.72	-43.38
O=C([O-])CC(NS(=O)(=O)N1CCC(F)(F)C1)C1=CC=CC=C1	REAL300007708471	0	37	-1.0	-48.90	320.58	4.08	-44.82
O=C([O-])CC(NS(=O)(=O)C1=CN=CS1)C1=CC=CC=C1	REAL300007708472	0	31	-1.0	-48.70	293.38	2.83	-45.87
O=C([O-])CC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C1=CC=CC=C1	REAL300007708473	0	37	-1.0	-50.25	339.96	4.95	-45.30
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=C1	REAL300007708474	0	48	-1.0	-49.73	402.94	8.10	-41.63
C=CCC(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300007708475	0	41	-1.0	-52.94	347.22	6.11	-46.83
C=CCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007708476	0	32	-1.0	-54.49	302.13	4.98	-49.51
C=CCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007708477	0	33	-1.0	-42.89	312.20	3.90	-38.99
C=CCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007708478	0	35	-1.0	-58.52	329.23	1.04	-57.48
C=CCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007708479	0	33	-1.0	-48.96	314.54	3.32	-45.64
C=CCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007708480	0	40	-1.0	-56.15	339.58	3.53	-52.62
C=CCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007708481	0	32	-1.0	-51.38	297.82	4.84	-46.54
C=CCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007708482	0	45	-1.0	-53.08	370.67	7.32	-45.76
C=CCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007708483	0	35	-1.0	-53.24	313.24	2.66	-50.58
C=CCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007708484	0	29	-1.0	-54.01	282.91	4.15	-49.86
C=CCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007708485	0	29	-1.0	-40.61	290.56	4.23	-36.38
C=CCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007708486	0	34	-1.0	-46.84	299.27	5.83	-41.01
C=CCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007708487	0	35	-1.0	-40.70	326.84	5.51	-35.19
C=CCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007708488	0	39	-1.0	-44.20	347.10	0.09	-44.11
C=CCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007708489	0	40	-1.0	-51.61	350.98	5.35	-46.26
C=CCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007708490	0	35	-1.0	-52.86	314.20	4.03	-48.83
C=CCC(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300007708491	0	35	-1.0	-49.51	317.86	1.13	-48.38
C=CCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007708492	0	38	-1.0	-66.58	353.84	1.72	-64.86
C=CCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007708493	0	39	-1.0	-54.13	326.41	4.28	-49.85
C=CCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007708494	0	34	-1.0	-45.04	327.07	4.05	-40.99
C=CCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007708495	0	32	-1.0	-39.29	309.91	4.84	-34.45
C=CCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007708496	0	34	-1.0	-53.15	309.68	3.88	-49.27
C=CCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCCC)C=C1)C(=O)[O-]	REAL300007708497	0	46	-1.0	-59.25	406.58	2.70	-56.55
C=CCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007708498	0	38	-1.0	-56.09	340.33	4.80	-51.29
C=CCC(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300007708499	0	38	-1.0	-50.52	325.72	3.36	-47.16
C=CCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007708500	0	38	-1.0	-51.41	325.24	5.32	-46.09
C=CCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007708501	0	41	-1.0	-56.34	314.19	5.71	-50.63
C=CCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007708502	0	42	-1.0	-49.86	368.29	6.36	-43.50
C=CCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007708503	0	37	-1.0	-52.32	333.82	2.95	-49.37
C=CCC(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007708504	0	35	-1.0	-51.36	335.68	4.64	-46.72
C=CCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007708505	0	37	-1.0	-44.12	341.39	3.38	-40.74
C=CCC(NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300007708506	0	37	-1.0	-44.49	347.70	3.36	-41.13
C=CCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007708507	0	32	-1.0	-53.58	308.02	4.71	-48.87
C=CCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007708508	0	35	-1.0	-44.65	325.27	6.35	-38.30
C=CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007708509	0	34	-1.0	-50.01	315.66	4.94	-45.07
C=CCC(NS(=O)(=O)C1=CC(Cl)=C(OCCOC)C(Cl)=C1)C(=O)[O-]	REAL300007708510	0	40	-1.0	-41.35	390.59	4.30	-37.05
C=CCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007708511	0	33	-1.0	-51.51	314.22	3.15	-48.36
C=CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007708512	0	36	-1.0	-53.16	332.93	4.90	-48.26
C=CCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007708513	0	44	-1.0	-54.27	359.14	4.47	-49.80
C=CCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007708514	0	32	-1.0	-52.62	300.96	4.38	-48.24
C=CCC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007708515	0	40	-1.0	-48.53	349.98	3.13	-45.40
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C2=CC=CC=C21	REAL300007710001	0	37	-1.0	-51.57	340.79	8.61	-42.96
CCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=C1CC	REAL300007710002	0	49	-1.0	-48.33	405.82	9.42	-38.91
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300007710003	0	39	-1.0	-49.10	326.91	8.54	-40.56
O=C([O-])C1CN(S(=O)(=O)CCCC2CC2)C2=CC=CC=C21	REAL300007710004	0	39	-1.0	-53.97	330.68	7.73	-46.24
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C2=CC=CC=C21	REAL300007710005	0	37	-1.0	-53.28	338.30	8.52	-44.76
CCCC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300007710006	0	42	-1.0	-50.54	348.35	9.47	-41.07
COC1=NC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300007710007	0	36	-1.0	-54.01	314.26	4.19	-49.82
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C2=CC=CC=C21	REAL300007710008	0	38	-1.0	-58.74	321.58	7.08	-51.66
CC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)N1C	REAL300007710009	0	36	-1.0	-49.33	310.43	5.96	-43.37
CC1=CSC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300007710010	0	36	-1.0	-47.45	306.22	7.29	-40.16
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C2=CC=CC=C21	REAL300007710011	0	40	-1.0	-53.33	342.72	6.62	-46.71
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2C2CCC2)C2=CC=CC=C21	REAL300007710012	0	40	-1.0	-48.83	333.07	6.53	-42.30
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2CC2CCC2)C2=CC=CC=C21	REAL300007710013	0	43	-1.0	-49.13	353.86	7.41	-41.72
CC1(C)COC2=C(S(=O)(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)C=NN2C1	REAL300007710014	0	44	-1.0	-52.11	366.15	4.99	-47.12
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C2=CC=CC=C21	REAL300007710015	0	39	-1.0	-50.39	358.12	7.82	-42.57
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3CCCCN23)C2=CC=CC=C21	REAL300007710016	0	40	-1.0	-53.27	327.98	6.74	-46.53
COC1=CC(C(C)C)=C(S(=O)(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=C1C	REAL300007710017	0	49	-1.0	-51.25	396.46	9.07	-42.18
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300007710018	0	43	-1.0	-51.15	351.42	8.16	-42.99
CC1CC2=CC=CC(S(=O)(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)=C2O1	REAL300007710019	0	41	-1.0	-58.49	344.58	7.65	-50.84
CC(C)(C)C1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300007710020	0	41	-1.0	-48.86	359.93	6.57	-42.29
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C2=CC=CC=C21	REAL300007710021	0	39	-1.0	-57.36	340.13	7.26	-50.10
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300007710022	0	38	-1.0	-64.45	332.98	6.47	-57.98
CCN1N=NC=C1S(=O)(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300007710023	0	35	-1.0	-47.02	304.66	4.23	-42.79
O=C([O-])C1CN(S(=O)(=O)C2=CC3=NON=C3C=C2)C2=CC=CC=C21	REAL300007710024	0	34	-1.0	-46.23	307.63	5.72	-40.51
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C2=CC=CC=C21	REAL300007710025	0	36	-1.0	-49.73	330.13	8.33	-41.40
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300007710026	0	40	-1.0	-47.01	343.73	6.55	-40.46
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O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2CC2CC2)C2=CC=CC=C21	REAL300007710127	0	40	-1.0	-47.85	341.23	7.11	-40.74
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C2=CC=CC=C21	REAL300007710128	0	40	-1.0	-53.19	347.94	8.21	-44.98
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=NN1C(C)C	REAL300007710129	0	42	-1.0	-51.89	349.53	6.52	-45.37
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C(C(F)F)=C1	REAL300007710130	0	40	-1.0	-47.84	346.45	7.35	-40.49
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C2=NC=CC=C12	REAL300007710131	0	41	-1.0	-57.46	340.96	8.61	-48.85
O=C([O-])C1CN(S(=O)(=O)C2=CNC3=CC=CC=C32)C2=CC=CC=C21	REAL300007710132	0	37	-1.0	-53.31	317.38	6.59	-46.72
O=C([O-])C1CN(S(=O)(=O)C2=CN=CS2)C2=CC=CC=C21	REAL300007710133	0	29	-1.0	-48.25	277.84	4.02	-44.23
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300007710134	0	46	-1.0	-52.64	366.43	8.76	-43.88
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710135	0	37	-1.0	-62.23	316.63	5.51	-56.72
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710136	0	44	-1.0	-50.43	352.56	7.62	-42.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007710137	0	29	-1.0	-44.89	283.03	4.61	-40.28
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710138	0	39	-1.0	-53.62	319.79	5.51	-48.11
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710139	0	35	-1.0	-49.79	298.94	5.95	-43.84
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007710140	0	36	-1.0	-54.38	314.89	5.33	-49.05
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710141	0	38	-1.0	-57.94	334.59	2.55	-55.39
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007710142	0	36	-1.0	-45.68	320.06	4.78	-40.90
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300007710143	0	43	-1.0	-52.36	336.52	4.50	-47.86
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710144	0	35	-1.0	-49.15	297.73	5.92	-43.23
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710145	0	43	-1.0	-49.40	326.85	5.37	-44.03
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710146	0	38	-1.0	-53.94	310.38	4.12	-49.82
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007710147	0	48	-1.0	-50.28	375.70	8.84	-41.44
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007710148	0	38	-1.0	-49.92	318.55	4.14	-45.78
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007710149	0	32	-1.0	-53.48	281.49	5.26	-48.22
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007710150	0	32	-1.0	-46.31	295.36	5.61	-40.70
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710151	0	37	-1.0	-62.08	299.07	7.07	-55.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007710152	0	38	-1.0	-48.93	336.09	7.02	-41.91
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710153	0	42	-1.0	-57.69	358.08	1.53	-56.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710154	0	43	-1.0	-54.32	356.32	6.86	-47.46
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710155	0	35	-1.0	-48.45	301.69	5.77	-42.68
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007710156	0	38	-1.0	-51.71	319.74	5.51	-46.20
COCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710157	0	39	-1.0	-51.61	328.93	4.76	-46.85
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300007710158	0	38	-1.0	-49.01	322.89	2.66	-46.35
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710159	0	41	-1.0	-63.05	358.92	3.24	-59.81
CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710160	0	37	-1.0	-61.45	323.36	1.06	-60.39
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1C	REAL300007710161	0	42	-1.0	-49.97	323.03	5.20	-44.77
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007710162	0	37	-1.0	-51.05	328.38	5.54	-45.51
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007710163	0	35	-1.0	-49.49	319.15	6.37	-43.12
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007710164	0	37	-1.0	-50.06	315.03	5.38	-44.68
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300007710165	0	42	-1.0	-57.88	347.26	0.70	-57.18
CN(C1CCOCC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710166	0	41	-1.0	-49.58	321.71	3.08	-46.50
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007710167	0	41	-1.0	-53.47	341.43	5.93	-47.54
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300007710168	0	41	-1.0	-50.36	330.31	4.88	-45.48
CC(C)N1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300007710169	0	38	-1.0	-53.59	318.65	4.12	-49.47
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710170	0	41	-1.0	-54.42	338.52	6.28	-48.14
CC(C)N1C=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710171	0	38	-1.0	-54.25	319.46	5.41	-48.84
CC(C)C1=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN1	REAL300007710172	0	38	-1.0	-57.20	317.81	3.46	-53.74
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710173	0	44	-1.0	-51.42	329.70	7.89	-43.53
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300007710174	0	45	-1.0	-55.31	372.00	7.92	-47.39
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710175	0	40	-1.0	-53.23	340.48	4.40	-48.83
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300007710176	0	40	-1.0	-51.82	339.26	4.49	-47.33
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300007710177	0	35	-1.0	-46.58	313.56	6.18	-40.40
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710178	0	35	-1.0	-47.06	283.04	5.32	-41.74
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007710179	0	38	-1.0	-49.57	323.12	7.73	-41.84
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007710180	0	37	-1.0	-49.06	330.48	7.17	-41.89
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007710181	0	36	-1.0	-51.36	319.53	4.63	-46.73
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007710182	0	39	-1.0	-51.06	333.19	6.63	-44.43
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710183	0	47	-1.0	-49.62	371.30	6.46	-43.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007710184	0	35	-1.0	-50.45	308.06	5.96	-44.49
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710185	0	43	-1.0	-54.57	353.43	4.55	-50.02
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007711001	0	36	-1.0	-61.65	319.65	5.53	-56.12
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300007711002	0	56	-1.0	-44.83	432.78	8.50	-36.33
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300007711003	0	43	-1.0	-60.31	368.50	2.60	-57.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007711004	0	37	-1.0	-63.69	330.48	7.00	-56.69
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007711005	0	34	-1.0	-56.68	293.74	4.41	-52.27
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007711006	0	32	-1.0	-64.54	302.06	6.16	-58.38
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007711007	0	32	-1.0	-64.00	297.48	6.11	-57.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007711008	0	36	-1.0	-74.53	317.31	2.03	-72.50
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711009	0	32	-1.0	-49.47	295.23	5.43	-44.04
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711010	0	32	-1.0	-59.24	283.71	5.48	-53.76
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300007711011	0	33	-1.0	-56.40	307.34	4.65	-51.75
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007711012	0	37	-1.0	-62.21	326.70	4.37	-57.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007711013	0	32	-1.0	-43.98	297.06	3.16	-40.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007711014	0	32	-1.0	-44.61	291.05	2.99	-41.62
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300007711015	0	40	-1.0	-51.71	330.07	5.41	-46.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007711016	0	32	-1.0	-46.47	295.64	3.36	-43.11
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711017	0	40	-1.0	-75.75	338.11	3.51	-72.24
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1I	REAL300007711018	0	32	-1.0	-57.72	302.78	6.32	-51.40
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711019	0	41	-1.0	-62.59	359.00	4.21	-58.38
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711020	0	46	-1.0	-61.75	394.20	4.40	-57.35
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711021	0	33	-1.0	-53.00	284.72	4.98	-48.02
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711022	0	46	-1.0	-70.31	398.23	3.50	-66.81
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300007711023	0	37	-1.0	-62.02	336.38	1.46	-60.56
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300007711024	0	43	-1.0	-55.90	388.38	1.82	-54.08
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(OC)=C1	REAL300007711025	0	44	-1.0	-59.05	376.15	1.74	-57.31
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300007711026	0	43	-1.0	-52.65	379.54	2.55	-50.10
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300007711026	1	42	-2.0	-111.82	368.88	2.61	-109.21
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711027	0	43	-1.0	-60.33	374.48	2.78	-57.55
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711028	0	40	-1.0	-86.99	342.27	4.33	-82.66
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300007711029	0	43	-1.0	-60.57	379.35	3.14	-57.43
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007711030	0	44	-1.0	-77.85	363.61	5.76	-72.09
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300007711031	0	40	-1.0	-60.79	357.85	2.35	-58.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007711032	0	44	-1.0	-58.14	371.18	5.12	-53.02
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007711033	0	41	-1.0	-68.43	352.28	4.28	-64.15
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711034	0	38	-1.0	-70.49	339.62	3.10	-67.39
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711035	0	39	-1.0	-69.92	341.93	2.02	-67.90
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300007711036	0	36	-1.0	-60.78	329.19	5.58	-55.20
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007711037	0	43	-1.0	-60.74	365.65	7.74	-53.00
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007711038	0	33	-1.0	-56.96	307.76	5.28	-51.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007711039	0	35	-1.0	-57.93	335.80	3.12	-54.81
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711040	0	36	-1.0	-52.22	322.93	4.80	-47.42
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2S1	REAL300007711041	0	43	-1.0	-51.24	365.54	6.10	-45.14
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711042	0	36	-1.0	-62.56	320.71	5.68	-56.88
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300007711043	0	41	-1.0	-51.66	343.21	5.70	-45.96
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711044	0	36	-1.0	-65.77	320.86	-0.43	-66.20
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007711045	0	35	-1.0	-46.68	299.32	5.24	-41.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007711046	0	32	-1.0	-48.17	308.66	6.14	-42.03
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007711047	0	35	-1.0	-63.15	319.24	7.76	-55.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007711048	0	32	-1.0	-63.14	304.55	6.31	-56.83
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007711049	0	35	-1.0	-52.08	307.11	6.74	-45.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007711050	0	35	-1.0	-61.45	316.33	6.77	-54.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007711051	0	40	-1.0	-49.47	334.16	5.57	-43.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007711052	0	43	-1.0	-66.03	366.95	8.02	-58.01
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711053	0	42	-1.0	-63.66	361.84	6.53	-57.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007711054	0	40	-1.0	-66.00	357.02	1.88	-64.12
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007711055	0	38	-1.0	-62.29	322.70	7.87	-54.42
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300007711056	0	40	-1.0	-59.76	332.05	5.32	-54.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007711057	0	35	-1.0	-50.45	315.55	6.21	-44.24
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007711058	0	34	-1.0	-55.92	293.00	1.18	-54.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007711059	0	42	-1.0	-47.71	337.75	4.68	-43.03
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007711060	0	36	-1.0	-51.15	310.09	4.52	-46.63
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711061	0	38	-1.0	-69.51	341.47	3.06	-66.45
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007711062	0	33	-1.0	-60.70	312.63	6.15	-54.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711063	0	41	-1.0	-50.00	318.84	4.11	-45.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007711064	0	37	-1.0	-52.19	323.90	2.64	-49.55
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300007711065	0	36	-1.0	-52.10	314.00	1.79	-50.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007711066	0	40	-1.0	-51.53	349.20	3.90	-47.63
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CN=C21	REAL300007711067	0	34	-1.0	-52.64	296.96	3.19	-49.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007711068	0	35	-1.0	-59.41	324.64	7.57	-51.84
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(CC)=C1	REAL300007711069	0	47	-1.0	-43.76	342.86	8.19	-35.57
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711070	0	43	-2.0	-117.55	372.33	1.52	-116.03
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711070	1	44	-1.0	-51.33	369.23	1.52	-49.81
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007711071	0	35	-1.0	-44.53	321.29	2.24	-42.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007711072	0	38	-1.0	-72.48	322.53	8.50	-63.98
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300007711073	0	36	-1.0	-59.17	298.05	4.72	-54.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007711074	0	38	-1.0	-61.57	317.66	6.31	-55.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711075	0	47	0.0	-58.09	361.75	5.14	-52.95
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007711076	0	37	-1.0	-57.00	326.85	5.98	-51.02
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711077	0	36	-1.0	-49.50	324.41	4.38	-45.12
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300007711078	0	35	-1.0	-63.57	307.48	6.25	-57.32
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711079	0	41	0.0	-89.79	333.70	6.90	-82.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007711080	0	29	-1.0	-41.99	285.63	4.38	-37.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007711081	0	42	-1.0	-62.79	343.72	8.35	-54.44
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=NO1	REAL300007711082	0	40	-1.0	-67.75	338.88	5.55	-62.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007711083	0	38	-1.0	-55.38	314.39	1.40	-53.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007711084	0	32	-1.0	-48.68	289.18	4.66	-44.02
CC1=C(CCS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])SC=N1	REAL300007711085	0	34	-1.0	-48.08	302.18	3.48	-44.60
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])CCC2=C1	REAL300007711086	0	41	-1.0	-61.01	341.34	6.39	-54.62
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007711087	0	42	-1.0	-48.52	310.39	6.23	-42.29
CC(C)(CCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])S(C)(=O)=O	REAL300007711088	0	40	-1.0	-69.57	330.25	1.94	-67.63
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007711089	0	38	-1.0	-60.27	309.18	6.04	-54.23
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300007711090	0	44	-1.0	-57.58	376.00	7.33	-50.25
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300007711091	0	48	-1.0	-52.91	394.11	4.84	-48.07
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007711092	0	37	-1.0	-56.54	319.83	6.53	-50.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007711093	0	29	-1.0	-55.94	276.59	5.61	-50.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007711094	0	31	-1.0	-54.12	283.53	5.66	-48.46
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007711095	0	35	-1.0	-62.17	303.30	6.98	-55.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007711096	0	31	-1.0	-41.88	280.79	4.83	-37.05
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711097	0	34	-1.0	-59.69	293.74	5.63	-54.06
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007711098	0	31	-1.0	-77.98	275.44	6.35	-71.63
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711099	0	36	-1.0	-63.05	323.95	6.04	-57.01
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300007711100	0	41	-1.0	-59.92	314.87	7.18	-52.74
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711101	0	44	-1.0	-61.60	341.61	7.27	-54.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007711102	0	32	-1.0	-57.02	296.20	5.68	-51.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007711103	0	32	-1.0	-51.41	277.66	5.44	-45.97
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007711104	0	35	-1.0	-57.55	312.96	5.42	-52.13
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711105	0	41	-1.0	-59.36	331.54	7.31	-52.05
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711106	0	46	-1.0	-60.10	392.09	4.71	-55.39
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711107	0	40	-1.0	-60.72	350.84	2.99	-57.73
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300007711108	0	33	-1.0	-61.13	307.33	4.65	-56.48
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007711109	0	35	-1.0	-43.40	330.39	6.17	-37.23
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300007711110	0	32	-1.0	-57.03	296.93	5.86	-51.17
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)=C1	REAL300007711111	0	43	-1.0	-57.61	365.40	8.51	-49.10
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007711112	0	33	-1.0	-56.22	301.28	4.78	-51.44
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300007711113	0	44	-1.0	-60.63	328.09	7.62	-53.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007711114	0	38	-1.0	-59.75	320.25	4.62	-55.13
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711115	0	45	-1.0	-65.32	357.41	6.81	-58.51
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300007711116	0	36	-1.0	-50.55	327.96	6.56	-43.99
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007711117	0	34	-1.0	-65.82	301.64	5.87	-59.95
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711118	0	33	-1.0	-62.29	302.47	5.11	-57.18
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711119	0	47	-1.0	-49.77	350.79	7.74	-42.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007711120	0	32	-1.0	-56.21	296.06	5.70	-50.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007711121	0	39	-1.0	-61.01	320.17	7.17	-53.84
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711122	0	37	-1.0	-65.83	310.65	3.78	-62.05
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300007711123	0	37	-1.0	-61.45	316.18	3.87	-57.58
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007711124	0	37	-1.0	-60.41	309.78	7.39	-53.02
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711125	0	44	-1.0	-59.58	358.79	8.50	-51.08
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300007711126	0	43	-1.0	-59.29	359.89	5.72	-53.57
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711127	0	34	-1.0	-61.92	309.52	-0.05	-61.97
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007711128	0	37	-1.0	-59.13	316.23	5.97	-53.16
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300007711129	0	37	-1.0	-66.54	310.72	6.60	-59.94
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2N=C1	REAL300007711130	0	37	-1.0	-72.82	314.30	6.31	-66.51
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007711131	0	35	-1.0	-77.10	306.61	5.51	-71.59
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711132	0	33	-1.0	-49.00	298.09	4.63	-44.37
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711133	0	34	-1.0	-62.95	311.62	-0.36	-63.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007711134	0	41	-1.0	-66.95	366.46	2.53	-64.42
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711135	0	37	-1.0	-61.62	324.60	6.22	-55.40
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007711136	0	38	-1.0	-48.07	307.85	5.53	-42.54
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CN=C12	REAL300007711137	0	37	-1.0	-62.25	307.94	5.45	-56.80
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300007711138	0	37	-1.0	-58.92	308.38	7.01	-51.91
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711139	0	40	-1.0	-61.79	353.04	2.68	-59.11
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007711140	0	41	-1.0	-73.40	343.37	4.03	-69.37
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711141	0	35	-1.0	-64.93	318.14	2.20	-62.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007711142	0	39	-1.0	-52.17	316.99	7.63	-44.54
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007711143	0	35	-1.0	-67.00	292.87	6.51	-60.49
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007711144	0	39	-1.0	-60.27	329.49	8.40	-51.87
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300007711145	0	43	-1.0	-53.36	343.82	6.08	-47.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007711146	0	30	-1.0	-50.21	280.09	2.61	-47.60
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711147	0	33	-1.0	-62.41	297.91	5.01	-57.40
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711148	0	44	-1.0	-59.41	345.74	7.78	-51.63
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007711149	0	32	-1.0	-57.57	292.89	5.79	-51.78
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711150	0	39	-1.0	-59.21	324.55	5.84	-53.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007711151	0	32	-1.0	-64.60	297.50	6.06	-58.54
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007711152	0	34	-1.0	-72.00	316.21	7.23	-64.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007711153	0	34	-1.0	-72.81	292.97	5.66	-67.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007711154	0	40	-1.0	-58.42	360.97	8.41	-50.01
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711155	0	35	-1.0	-46.46	309.59	4.78	-41.68
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300007711156	0	33	-1.0	-61.85	293.14	4.05	-57.80
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007711157	0	40	-1.0	-56.80	360.72	8.35	-48.45
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300007711158	0	44	-1.0	-57.97	373.48	7.13	-50.84
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(C)C)=C1	REAL300007711159	0	56	-1.0	-60.48	414.68	10.64	-49.84
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007711160	0	45	-1.0	-55.27	358.51	7.13	-48.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007711161	0	32	-1.0	-43.65	308.67	5.91	-37.74
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007711162	0	39	-1.0	-54.79	318.71	5.58	-49.21
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007711163	0	45	-1.0	-54.82	372.23	1.81	-53.01
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711164	0	34	-1.0	-54.03	291.59	6.04	-47.99
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711165	0	34	-1.0	-55.58	287.37	5.86	-49.72
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711166	0	37	-1.0	-52.27	311.62	6.49	-45.78
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711167	0	41	-1.0	-59.69	336.49	7.67	-52.02
COCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711168	0	39	-1.0	-59.58	331.90	5.50	-54.08
COCCN(CCOC)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711169	0	41	-1.0	-51.83	325.50	3.09	-48.74
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711170	0	32	-1.0	-49.16	281.32	5.19	-43.97
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300007711171	0	39	-1.0	-58.42	328.88	5.87	-52.55
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711172	0	45	-1.0	-57.83	367.20	7.32	-50.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007711173	0	43	-1.0	-58.79	349.33	7.18	-51.61
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711174	0	42	-1.0	-58.05	348.24	6.71	-51.34
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711175	0	39	-1.0	-58.06	328.13	6.01	-52.05
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007711176	0	33	-1.0	-61.10	302.95	4.54	-56.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007711177	0	33	-1.0	-59.41	312.70	4.81	-54.60
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300007711178	0	42	-1.0	-59.54	346.79	6.27	-53.27
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711179	0	40	-1.0	-60.34	340.26	4.49	-55.85
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711180	0	32	-1.0	-56.29	284.66	5.98	-50.31
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300007711181	0	37	-1.0	-45.99	296.65	6.51	-39.48
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711182	0	38	-1.0	-66.57	326.24	2.48	-64.09
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007711183	0	41	-1.0	-61.28	366.39	2.54	-58.74
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711184	0	37	-1.0	-61.01	331.95	1.16	-59.85
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711185	0	37	-1.0	-66.84	319.69	2.68	-64.16
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007711186	0	32	-1.0	-61.83	287.77	5.80	-56.03
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300007711187	0	33	-1.0	-56.37	293.15	4.05	-52.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007711188	0	39	-1.0	-65.35	331.66	8.09	-57.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007711189	0	32	-1.0	-61.47	314.13	6.57	-54.90
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])S2)=CS1	REAL300007711190	0	35	-1.0	-52.10	332.49	4.75	-47.35
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007711191	0	49	-1.0	-57.77	389.87	8.61	-49.16
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711192	0	37	-1.0	-58.53	314.40	5.77	-52.76
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1C	REAL300007711193	0	37	-1.0	-50.22	317.04	1.75	-48.47
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300007711194	0	39	-1.0	-57.61	307.78	5.68	-51.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007711195	0	40	-1.0	-53.78	336.73	8.28	-45.50
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300007711196	0	39	-1.0	-60.44	315.06	4.99	-55.45
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007711197	0	37	-1.0	-60.75	302.12	6.20	-54.55
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007711198	0	34	-1.0	-67.11	287.93	4.74	-62.37
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])=C2	REAL300007711199	0	42	-1.0	-60.78	352.40	8.00	-52.78
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007711200	0	34	-1.0	-76.33	309.95	5.27	-71.06
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007711201	0	36	-1.0	-58.99	326.21	5.68	-53.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007711202	0	43	-1.0	-59.24	366.55	8.27	-50.97
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711203	0	37	-1.0	-64.77	315.66	5.43	-59.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007711204	0	39	-1.0	-47.02	339.07	5.66	-41.36
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711205	0	51	-1.0	-46.52	387.64	7.14	-39.38
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711206	0	37	-1.0	-66.01	328.85	1.70	-64.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007711207	0	44	-1.0	-50.03	374.55	3.28	-46.75
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007711208	0	42	-1.0	-54.72	340.56	6.50	-48.22
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711209	0	39	-1.0	-66.45	323.96	6.06	-60.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007711210	0	34	-1.0	-76.51	305.77	4.84	-71.67
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007711211	0	36	-1.0	-50.51	313.66	5.21	-45.30
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711212	0	43	-1.0	-60.30	362.11	5.45	-54.85
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711213	0	45	-1.0	-57.88	371.13	7.58	-50.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007711214	0	39	-1.0	-66.02	314.88	7.30	-58.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007711215	0	35	-1.0	-62.29	305.47	6.64	-55.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007711216	0	33	-1.0	-57.12	311.67	6.45	-50.67
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007711217	0	37	-1.0	-72.52	320.66	6.08	-66.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007711218	0	35	-1.0	-47.64	292.25	0.57	-47.07
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007711219	0	34	-1.0	-59.89	303.58	5.17	-54.72
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300007711220	0	39	-1.0	-49.40	315.97	4.90	-44.50
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711221	0	37	-1.0	-62.63	334.05	0.85	-61.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007711222	0	33	-1.0	-52.68	291.14	4.37	-48.31
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711223	0	33	-1.0	-58.15	295.49	6.01	-52.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007711224	0	35	-1.0	-45.97	315.48	5.93	-40.04
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711225	0	40	-1.0	-62.52	330.05	6.67	-55.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007711226	0	35	-1.0	-64.88	295.57	4.27	-60.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007711227	0	34	-1.0	-61.99	287.81	4.62	-57.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007711228	0	41	-1.0	-63.04	351.09	6.67	-56.37
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300007711229	0	35	-1.0	-56.95	311.88	6.20	-50.75
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007711230	0	35	-1.0	-63.78	328.13	5.77	-58.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007711231	0	38	-1.0	-59.14	322.28	6.26	-52.88
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300007711232	0	37	-1.0	-47.72	319.00	3.89	-43.83
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711233	0	36	-1.0	-64.79	325.67	5.42	-59.37
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2O1	REAL300007711234	0	40	-1.0	-53.07	329.46	5.40	-47.67
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007711235	0	32	-1.0	-64.88	294.25	5.99	-58.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007711236	0	41	-1.0	-70.14	354.03	3.20	-66.94
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007711237	0	36	-1.0	-61.01	324.77	5.55	-55.46
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300007711238	0	37	-1.0	-62.22	331.08	4.48	-57.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007711239	0	42	-1.0	-56.77	373.66	6.33	-50.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007711240	0	37	-1.0	-57.17	314.34	4.96	-52.21
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007711241	0	32	-1.0	-62.74	307.78	6.43	-56.31
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300007711242	0	37	-1.0	-51.52	309.44	4.76	-46.76
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711243	0	41	-1.0	-41.90	297.67	6.84	-35.06
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711244	0	41	-1.0	-66.72	335.52	3.48	-63.24
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007711245	0	40	-1.0	-59.09	362.42	8.43	-50.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007711246	0	35	-1.0	-59.11	321.72	5.70	-53.41
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007711247	0	35	-1.0	-63.55	338.45	6.22	-57.33
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300007711248	0	38	-1.0	-65.75	333.81	3.76	-61.99
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007711249	0	32	-1.0	-69.38	300.73	3.31	-66.07
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007711250	0	37	-1.0	-61.09	311.05	5.33	-55.76
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300007711251	0	39	-1.0	-50.32	335.07	5.89	-44.43
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300007711252	0	37	-1.0	-56.78	331.17	5.80	-50.98
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007711253	0	34	-1.0	-55.20	304.33	5.98	-49.22
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300007711254	0	40	-1.0	-54.13	340.85	4.85	-49.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007711255	0	31	-1.0	-52.96	284.65	3.55	-49.41
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300007711256	0	38	-1.0	-61.95	324.74	7.62	-54.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007711257	0	34	-1.0	-70.61	304.12	4.88	-65.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007711258	0	35	-1.0	-61.19	319.00	6.85	-54.34
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300007711259	0	41	-1.0	-61.28	331.53	5.23	-56.05
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007711260	0	31	-1.0	-48.20	288.18	3.38	-44.82
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711261	0	37	-1.0	-69.11	309.30	5.32	-63.79
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711262	0	37	-1.0	-59.32	309.52	6.12	-53.20
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007711263	0	37	-1.0	-46.63	303.51	6.97	-39.66
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007711264	0	37	-1.0	-53.78	311.55	5.98	-47.80
COC1=CC=C(CCS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711265	0	39	-1.0	-62.73	331.77	5.63	-57.10
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300007711266	0	38	-1.0	-60.13	328.31	6.65	-53.48
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(OC)=C1	REAL300007711267	0	37	-1.0	-61.77	314.30	3.60	-58.17
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])OCO2	REAL300007711268	0	35	-1.0	-57.91	289.37	4.03	-53.88
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300007711269	0	33	-1.0	-56.41	302.95	4.54	-51.87
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300007711270	0	35	-1.0	-54.31	300.73	5.51	-48.80
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007711271	0	37	-1.0	-73.48	304.71	6.58	-66.90
CC1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2O1	REAL300007711272	0	34	-1.0	-53.95	296.20	1.84	-52.11
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1CC	REAL300007711273	0	41	-1.0	-61.78	334.48	7.25	-54.53
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711274	0	37	-1.0	-44.34	302.99	6.13	-38.21
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711275	0	39	-1.0	-62.57	312.87	6.56	-56.01
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711276	0	30	-1.0	-47.78	272.77	2.12	-45.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007711277	0	35	-1.0	-52.47	292.32	5.78	-46.69
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300007711278	0	35	-1.0	-55.99	302.34	6.33	-49.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007711279	0	36	-1.0	-62.19	313.35	4.45	-57.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007711280	0	42	-1.0	-65.78	357.79	6.38	-59.40
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007711281	0	33	-1.0	-73.94	289.96	4.40	-69.54
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007711282	0	31	-1.0	-54.07	286.02	3.77	-50.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007711283	0	32	-1.0	-62.34	297.47	6.08	-56.26
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300007711284	0	32	-1.0	-57.01	292.90	5.78	-51.23
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007711285	0	35	-1.0	-64.79	300.79	5.14	-59.65
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)=N1	REAL300007711286	0	38	-1.0	-60.02	341.54	6.46	-53.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007711287	0	37	-1.0	-67.61	304.34	5.84	-61.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007711288	0	36	-1.0	-66.04	322.53	2.55	-63.49
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007711289	0	38	-1.0	-60.93	315.20	5.18	-55.75
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007711290	0	32	-1.0	-48.38	296.62	5.45	-42.93
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711291	0	54	-1.0	-57.85	435.63	9.92	-47.93
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711292	0	39	-1.0	-63.53	345.37	6.81	-56.72
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711293	0	42	-1.0	-49.06	342.65	5.81	-43.25
COC(CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCC1	REAL300007711294	0	42	-1.0	-50.98	326.94	4.31	-46.67
COC(CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300007711295	0	45	-1.0	-51.12	344.70	5.25	-45.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007711296	0	43	-1.0	-62.64	374.90	8.03	-54.61
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007711297	0	48	-1.0	-60.61	388.89	7.73	-52.88
CCC1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1CC1CC1	REAL300007711298	0	42	-1.0	-52.65	348.04	5.83	-46.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007711299	0	32	-1.0	-57.10	295.06	4.51	-52.59
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007711300	0	37	-1.0	-60.52	314.16	6.49	-54.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007711301	0	42	-1.0	-56.94	356.97	7.16	-49.78
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711302	0	32	-1.0	-52.33	294.68	3.56	-48.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007711303	0	40	-1.0	-59.65	358.04	8.78	-50.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007711304	0	39	-1.0	-57.21	315.46	7.34	-49.87
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007711305	0	49	-1.0	-51.72	405.66	8.95	-42.77
CCC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C)C=C1OC	REAL300007711306	0	42	-1.0	-62.95	335.73	6.13	-56.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007711307	0	35	-1.0	-55.15	326.54	6.87	-48.28
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300007711308	0	31	-1.0	-54.13	278.00	3.37	-50.76
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007711309	0	38	-1.0	-65.59	307.14	8.09	-57.50
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300007711310	0	38	-1.0	-46.54	321.85	2.71	-43.83
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711311	0	33	-1.0	-57.55	287.72	4.93	-52.62
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007711312	0	45	-1.0	-61.03	367.39	6.93	-54.10
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300007711313	0	41	-1.0	-56.64	335.65	6.94	-49.70
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007711314	0	48	-1.0	-62.50	380.63	9.57	-52.93
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711315	0	39	-1.0	-57.05	315.43	4.69	-52.36
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007711316	0	41	-1.0	-51.55	324.07	4.46	-47.09
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007711317	0	39	-1.0	-52.78	320.91	4.40	-48.38
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711318	0	32	-1.0	-40.79	276.79	2.95	-37.84
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711319	0	36	-1.0	-65.07	315.35	4.97	-60.10
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711320	0	39	-1.0	-59.51	332.54	7.77	-51.74
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007711321	0	51	-1.0	-58.79	410.40	8.51	-50.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007711322	0	33	-1.0	-47.51	304.50	6.02	-41.49
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300007711323	0	51	-1.0	-59.24	401.47	8.39	-50.85
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1CC	REAL300007711324	0	45	-1.0	-60.26	371.99	7.19	-53.07
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711325	0	35	-1.0	-45.75	291.53	5.97	-39.78
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711326	0	35	-1.0	-62.21	316.43	6.83	-55.38
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007711327	0	33	-1.0	-50.05	298.49	5.81	-44.24
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711328	0	45	-1.0	-46.57	360.14	6.65	-39.92
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007711329	0	34	-1.0	-70.17	287.87	4.68	-65.49
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300007711330	0	44	-1.0	-57.32	384.17	8.85	-48.47
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007711331	0	39	-1.0	-58.76	321.68	5.24	-53.52
CC1(C)COC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=NN2C1	REAL300007711332	0	40	-1.0	-55.42	331.09	2.29	-53.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007711333	0	35	-1.0	-59.47	324.28	5.59	-53.88
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007711334	0	54	-1.0	-58.79	431.90	9.29	-49.50
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300007711335	0	45	-1.0	-62.00	353.25	6.12	-55.88
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711336	0	39	-1.0	-64.35	324.34	5.98	-58.37
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007711337	0	52	-1.0	-62.74	422.87	7.15	-55.59
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2O1	REAL300007711338	0	37	-1.0	-54.43	312.36	4.88	-49.55
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300007711339	0	37	-1.0	-50.99	321.80	3.77	-47.22
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007711340	0	35	-1.0	-63.74	309.71	5.18	-58.56
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711341	0	34	-1.0	-59.58	286.19	3.50	-56.08
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007711342	0	33	-1.0	-63.44	306.55	5.45	-57.99
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007711343	0	32	-1.0	-49.30	288.02	5.50	-43.80
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300007711344	0	38	-1.0	-57.87	304.10	6.96	-50.91
COC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1OC	REAL300007711345	0	37	-1.0	-60.22	308.08	4.89	-55.33
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300007711346	0	42	-1.0	-63.06	337.30	5.21	-57.85
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711347	0	41	-1.0	-52.14	322.28	4.42	-47.72
CCCCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=N1	REAL300007711348	0	41	-1.0	-49.57	340.52	4.89	-44.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007711349	0	33	-1.0	-61.17	294.54	4.57	-56.60
CN1N=NC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C21	REAL300007711350	0	34	-1.0	-55.29	300.04	2.69	-52.60
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300007711351	0	35	-1.0	-59.09	304.89	6.13	-52.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007711352	0	35	-1.0	-56.30	324.68	6.01	-50.29
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300007711353	0	39	-1.0	-62.67	320.45	4.74	-57.93
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711354	0	47	-1.0	-63.01	363.88	8.00	-55.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007711355	0	35	-1.0	-56.75	328.64	6.55	-50.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007711356	0	39	-1.0	-55.27	327.05	4.74	-50.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007711357	0	33	-1.0	-63.09	291.83	5.80	-57.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007711358	0	40	-1.0	-65.02	350.27	7.46	-57.56
COC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007711359	0	38	-1.0	-79.80	322.85	5.90	-73.90
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711360	0	38	-1.0	-56.44	299.54	4.14	-52.30
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300007711361	0	38	-1.0	-54.27	317.57	3.79	-50.48
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007711362	0	34	-1.0	-56.25	308.38	4.49	-51.76
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007711363	0	32	-1.0	-43.95	297.99	5.24	-38.71
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711364	0	40	-1.0	-64.57	337.13	6.19	-58.38
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007711365	0	40	-1.0	-62.26	324.02	8.07	-54.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007711366	0	35	-1.0	-58.34	318.68	5.93	-52.41
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007711367	0	36	-1.0	-63.03	308.05	3.41	-59.62
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711368	0	39	-1.0	-56.46	351.53	5.76	-50.70
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007711369	0	29	-1.0	-47.99	271.69	4.31	-43.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007711370	0	39	-1.0	-58.30	323.09	5.21	-53.09
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711371	0	38	-1.0	-50.55	313.82	3.98	-46.57
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711372	0	43	-1.0	-60.23	325.09	5.91	-54.32
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007711373	0	43	-1.0	-62.57	347.27	3.46	-59.11
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711374	0	35	-1.0	-60.09	310.65	6.21	-53.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007711375	0	33	-1.0	-52.93	291.81	3.74	-49.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007711376	0	44	-1.0	-59.42	352.50	7.48	-51.94
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007711377	0	40	-1.0	-74.57	323.71	6.79	-67.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007711378	0	37	-1.0	-45.56	308.44	4.37	-41.19
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711379	0	39	-1.0	-52.61	329.49	4.85	-47.76
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007711380	0	32	-1.0	-52.48	312.30	6.20	-46.28
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711381	0	39	-1.0	-48.51	324.58	5.48	-43.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007711382	0	42	-1.0	-52.87	339.45	5.02	-47.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007711383	0	40	-1.0	-58.14	343.99	7.84	-50.30
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(C)=C1Br	REAL300007711384	0	35	-1.0	-56.56	313.01	6.73	-49.83
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007711385	0	32	-1.0	-52.48	312.30	6.20	-46.28
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007711386	0	38	-1.0	-55.86	308.10	6.76	-49.10
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007711387	0	39	-1.0	-60.50	328.51	5.79	-54.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007711388	0	33	-1.0	-47.46	309.07	6.12	-41.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007711389	0	33	-1.0	-45.84	309.09	6.12	-39.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007711390	0	34	-1.0	-69.35	299.26	-1.07	-70.42
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007711391	0	31	-1.0	-48.90	283.48	3.55	-45.35
CC1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007711392	0	38	-1.0	-48.72	319.30	3.07	-45.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007711393	0	46	-1.0	-49.40	330.00	7.10	-42.30
CS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711394	0	37	-1.0	-58.36	323.50	1.05	-57.31
CC1(C)CCC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])OC1	REAL300007711395	0	42	-1.0	-46.99	327.73	4.36	-42.63
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007711396	0	33	-1.0	-65.35	304.98	3.87	-61.48
O=C([O-])[C@H]1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007711397	0	39	-1.0	-64.30	338.94	7.69	-56.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007711398	0	38	-1.0	-67.64	309.16	2.45	-65.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007711399	0	42	-1.0	-62.71	324.53	6.82	-55.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007711400	0	33	-1.0	-48.88	296.89	5.50	-43.38
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300007711401	0	51	-1.0	-61.02	387.20	8.87	-52.15
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711402	0	40	-1.0	-60.26	331.78	6.07	-54.19
COC1=CSC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1OC	REAL300007711403	0	34	-1.0	-65.41	311.08	2.89	-62.52
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007711404	0	41	-1.0	-59.34	316.61	5.32	-54.02
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711405	0	40	-1.0	-45.71	326.24	6.00	-39.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007711406	0	33	-1.0	-57.67	301.81	5.50	-52.17
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300007711407	0	33	-1.0	-62.63	295.43	4.24	-58.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007711408	0	33	-1.0	-58.39	302.93	4.32	-54.07
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711409	0	35	-1.0	-59.28	299.39	4.55	-54.73
CN1C=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300007711410	0	36	-1.0	-58.08	306.19	5.93	-52.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007711411	0	38	-1.0	-47.99	331.48	4.65	-43.34
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711412	0	42	-1.0	-55.22	337.75	6.27	-48.95
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007711413	0	40	-1.0	-60.06	346.13	7.52	-52.54
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711414	0	35	-1.0	-74.87	298.24	6.42	-68.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007711415	0	30	-1.0	-47.48	296.81	3.10	-44.38
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711416	0	40	-1.0	-57.13	336.23	5.78	-51.35
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007711417	0	39	-1.0	-62.76	328.10	5.22	-57.54
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300007711418	0	33	-1.0	-47.06	285.18	3.34	-43.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007711419	0	35	-1.0	-59.66	320.08	7.47	-52.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007711420	0	39	-1.0	-50.62	343.52	8.09	-42.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007711421	0	28	-1.0	-54.46	282.63	2.99	-51.47
CCC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300007711422	0	35	-1.0	-57.31	316.48	6.55	-50.76
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711423	0	42	-1.0	-55.12	342.02	6.15	-48.97
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711424	0	43	-1.0	-65.72	357.80	5.00	-60.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007711425	0	35	-1.0	-51.50	307.92	6.79	-44.71
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711426	0	37	-1.0	-47.93	298.57	1.97	-45.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007711427	0	35	-1.0	-50.63	317.44	3.98	-46.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007711428	0	44	-1.0	-58.74	357.18	5.37	-53.37
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711429	0	32	-1.0	-58.91	295.79	2.36	-56.55
COC1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300007711430	0	35	-1.0	-56.43	304.77	2.10	-54.33
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300007711431	0	38	-1.0	-45.66	316.07	4.24	-41.42
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711432	0	38	-1.0	-51.20	314.83	3.64	-47.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007711433	0	39	-1.0	-59.92	319.59	2.85	-57.07
COCC1=CC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=NO1	REAL300007711434	0	35	-1.0	-70.61	311.35	2.71	-67.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007711435	0	34	-1.0	-60.53	313.12	6.55	-53.98
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])N=C1	REAL300007711436	0	40	-1.0	-52.18	327.13	4.90	-47.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007711437	0	36	-1.0	-57.72	313.34	5.80	-51.92
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007711438	0	31	-1.0	-51.93	282.90	3.42	-48.51
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=NN1C(C)C	REAL300007711439	0	38	-1.0	-55.69	315.36	3.92	-51.77
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007711440	0	43	-1.0	-59.27	364.06	8.53	-50.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007711441	0	34	-1.0	-67.32	294.77	5.09	-62.23
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007711442	0	32	-1.0	-43.03	278.85	3.92	-39.11
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711443	0	37	-1.0	-64.98	315.62	0.50	-64.48
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(F)F)=C1	REAL300007711444	0	36	-1.0	-65.14	311.11	5.05	-60.09
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711445	0	35	-1.0	-48.12	318.32	2.46	-45.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007711446	0	34	-1.0	-60.34	286.26	5.04	-55.30
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711447	0	35	-1.0	-51.18	291.90	3.68	-47.50
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007711448	0	37	-1.0	-72.46	310.71	6.20	-66.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007711449	0	31	-1.0	-68.40	287.56	3.75	-64.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007711450	0	36	-1.0	-63.34	323.90	5.84	-57.50
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007711451	0	42	-1.0	-67.53	339.39	6.58	-60.95
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711452	0	31	-1.0	-39.89	275.62	4.87	-35.02
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007711453	0	32	-1.0	-46.17	286.97	4.22	-41.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007711454	0	34	-1.0	-52.96	310.13	1.39	-51.57
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007711455	0	32	-1.0	-47.14	294.11	3.62	-43.52
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OC	REAL300007711456	0	39	-1.0	-43.61	311.13	3.41	-40.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007711457	0	44	-1.0	-49.42	350.45	7.71	-41.71
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007711458	0	34	-1.0	-47.71	292.17	3.05	-44.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1Br	REAL300007711459	0	28	-1.0	-45.75	254.32	4.14	-41.61
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007711460	0	28	-1.0	-41.63	270.73	4.49	-37.14
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711461	0	33	-1.0	-59.68	272.86	5.58	-54.10
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007711462	0	34	-1.0	-42.96	311.47	5.90	-37.06
CC(C(=O)[O-])N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007711463	0	38	-1.0	-64.01	330.82	0.42	-63.59
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711464	0	39	-1.0	-46.67	332.06	5.71	-40.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007711465	0	37	-1.0	-55.61	334.46	2.07	-53.54
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1C	REAL300007711466	0	38	-1.0	-44.12	300.07	4.17	-39.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007711467	0	33	-1.0	-44.56	302.56	4.40	-40.16
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007711468	0	31	-1.0	-40.77	292.70	5.25	-35.52
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711469	0	45	-1.0	-47.58	385.56	3.03	-44.55
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007711470	0	38	-1.0	-57.40	317.77	-0.61	-58.01
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007711471	0	37	-1.0	-48.90	310.63	4.98	-43.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007711472	0	41	-1.0	-51.41	345.79	6.50	-44.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007711473	0	36	-1.0	-61.58	314.57	3.24	-58.34
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007711474	0	34	-1.0	-49.45	314.24	4.91	-44.54
COC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OC	REAL300007711475	0	36	-1.0	-44.40	311.05	3.21	-41.19
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(OC)C=C1Br	REAL300007711476	0	36	-1.0	-43.02	320.10	3.66	-39.36
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300007711477	0	31	-1.0	-49.38	287.61	5.02	-44.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007711478	0	34	-1.0	-43.52	299.96	6.61	-36.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007711479	0	38	-1.0	-44.15	344.41	7.83	-36.32
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007711480	0	33	-1.0	-35.03	298.12	5.80	-29.23
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300007711481	0	39	-1.0	-47.36	369.59	4.63	-42.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007711482	0	32	-1.0	-49.00	293.59	3.47	-45.53
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007711483	0	35	-1.0	-45.80	307.01	5.45	-40.35
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711484	0	43	-1.0	-50.83	346.81	5.35	-45.48
COCC1=CC=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711485	0	39	-1.0	-47.66	325.34	3.41	-44.25
CS(=O)(=O)CCCCS(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713001	0	41	-1.0	-58.86	341.38	-0.01	-58.87
CC1(C)CCC(CS(=O)(=O)N2CCOCC2CC(=O)[O-])OC1	REAL300007713002	0	46	-1.0	-51.70	345.67	3.26	-48.44
O=C([O-])CC1COCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007713003	0	43	-1.0	-66.31	338.95	6.64	-59.67
O=C([O-])CC1COCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007713004	0	37	-1.0	-49.58	318.88	2.21	-47.37
O=C([O-])CC1COCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007713005	0	43	-1.0	-52.68	352.80	6.02	-46.66
O=C([O-])CC1COCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007713006	0	42	-1.0	-54.05	325.05	0.52	-53.53
COCCC1(S(=O)(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300007713007	0	40	-1.0	-65.60	301.50	2.37	-63.23
CCN1N=CC(S(=O)(=O)N2CCOCC2CC(=O)[O-])=N1	REAL300007713008	0	35	-1.0	-51.85	293.59	0.29	-51.56
O=C([O-])CC1COCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007713009	0	46	-1.0	-46.74	340.41	5.31	-41.43
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007713010	0	37	-1.0	-59.66	312.70	5.19	-54.47
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCOCC3CC(=O)[O-])=CC=C21	REAL300007713011	0	55	-1.0	-62.78	398.96	8.20	-54.58
COC1=CC=C(C=C(C)S(=O)(=O)N2CCOCC2CC(=O)[O-])C=C1	REAL300007713012	0	44	-1.0	-48.57	347.00	4.09	-44.48
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713013	0	38	-1.0	-68.93	297.96	0.92	-68.01
CCC1=NNC=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713014	0	36	-1.0	-47.88	286.21	1.27	-46.61
COC1=CSC(S(=O)(=O)N2CCOCC2CC(=O)[O-])=C1OC	REAL300007713015	0	38	-1.0	-60.01	318.17	2.71	-57.30
O=C([O-])CC1COCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007713016	0	45	-1.0	-64.87	329.47	5.17	-59.70
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713017	0	44	-1.0	-47.59	347.82	4.84	-42.75
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007713018	0	37	-1.0	-52.39	314.58	4.40	-47.99
COC1=CC(F)=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C(F)=C1	REAL300007713019	0	37	-1.0	-64.68	306.75	3.61	-61.07
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007713020	0	37	-1.0	-59.95	314.79	3.66	-56.29
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713021	0	39	-1.0	-60.19	311.59	4.21	-55.98
CN1C=CC2=CC(S(=O)(=O)N3CCOCC3CC(=O)[O-])=CC=C21	REAL300007713022	0	40	-1.0	-68.12	323.09	6.05	-62.07
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007713023	0	42	-1.0	-61.99	348.30	4.78	-57.21
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713024	0	46	-1.0	-63.03	357.42	6.19	-56.84
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007713025	0	44	-1.0	-65.22	358.88	7.20	-58.02
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713026	0	39	-1.0	-54.57	301.50	5.23	-49.34
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007713027	0	34	-1.0	-42.62	300.05	2.18	-40.44
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCOCC2CC(=O)[O-])=C1	REAL300007713028	0	44	-1.0	-66.28	352.73	5.90	-60.38
CCN1C=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C(C2CC2)=N1	REAL300007713029	0	43	-1.0	-58.17	339.84	4.35	-53.82
CC1=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C2=NSN=C2C=C1	REAL300007713030	0	37	-1.0	-51.04	299.68	3.38	-47.66
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007713031	0	39	-1.0	-62.29	332.01	7.07	-55.22
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007713032	0	43	-1.0	-62.00	360.32	8.22	-53.78
O=C([O-])CC1COCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007713033	0	32	-1.0	-56.25	297.67	1.62	-54.63
CCC1=CC(S(=O)(=O)N2CCOCC2CC(=O)[O-])=CC=C1Br	REAL300007713034	0	39	-1.0	-57.81	328.33	5.89	-51.92
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCOCC2CC(=O)[O-])=C1	REAL300007713035	0	46	-1.0	-59.37	355.84	5.00	-54.37
O=C([O-])CC1COCCN1S(=O)(=O)C1=C(Cl)OC=C1	REAL300007713036	0	30	-1.0	-43.92	255.14	1.70	-42.22
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007713037	0	30	-1.0	-57.88	277.70	3.38	-54.50
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCOCC2CC(=O)[O-])=C1	REAL300007713038	0	47	-1.0	-53.12	361.25	3.42	-49.70
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007713039	0	39	-1.0	-64.96	322.29	6.77	-58.19
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713040	0	41	-1.0	-57.79	320.56	1.63	-56.16
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007713041	0	40	-1.0	-67.03	307.10	5.79	-61.24
CC1(C)CCN(S(=O)(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300007713042	0	44	-1.0	-62.64	315.64	4.47	-58.17
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007713043	0	48	-1.0	-62.75	372.65	4.71	-58.04
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713044	0	36	-1.0	-57.71	311.19	1.61	-56.10
COC1=NC=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C=C1C	REAL300007713045	0	39	-1.0	-58.34	316.85	1.02	-57.32
CC(C)CN1C=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C=N1	REAL300007713046	0	42	-1.0	-61.87	336.47	3.94	-57.93
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713047	0	42	-1.0	-46.89	318.30	2.73	-44.16
O=C([O-])CC1COCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007713048	0	43	-1.0	-66.23	328.25	2.22	-64.01
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007713049	0	38	-1.0	-42.05	316.28	5.45	-36.60
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])N=C1	REAL300007713050	0	44	-1.0	-54.71	342.41	4.10	-50.61
CC(C)N1N=CC=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713051	0	39	-1.0	-46.90	308.36	2.21	-44.69
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007713052	0	40	-1.0	-46.48	313.58	2.83	-43.65
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007713053	0	40	-1.0	-51.49	306.35	3.81	-47.68
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007713054	0	35	-1.0	-66.50	299.24	3.30	-63.20
O=C([O-])CC1COCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007713055	0	38	-1.0	-69.54	303.81	4.92	-64.62
CC1=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C=NN1C(C)C	REAL300007713056	0	42	-1.0	-54.76	317.45	2.76	-52.00
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C=C1	REAL300007713057	0	47	-1.0	-61.73	379.73	7.52	-54.21
O=C([O-])CC1COCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007713058	0	38	-1.0	-66.71	311.92	4.10	-62.61
CC1=CN=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C(C)=C1	REAL300007713059	0	38	-1.0	-55.45	288.25	3.74	-51.71
CC1=CN=CC=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713060	0	35	-1.0	-46.13	261.15	1.82	-44.31
O=C([O-])CC1COCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007713061	0	36	-1.0	-57.72	298.68	3.60	-54.12
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713062	0	41	-1.0	-66.39	325.21	-0.20	-66.59
O=C([O-])CC1COCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007713063	0	40	-1.0	-46.89	298.53	1.05	-45.84
N#CC1CCN(S(=O)(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300007713064	0	39	-1.0	-69.39	307.57	4.11	-65.28
COC1=CC=NC(S(=O)(=O)N2CCOCC2CC(=O)[O-])=C1	REAL300007713065	0	36	-1.0	-62.87	300.00	1.19	-61.68
C=CCN(CC=C)S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713066	0	39	-1.0	-64.37	309.63	4.07	-60.30
COC1=CC=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C(C(F)F)=C1	REAL300007713067	0	40	-1.0	-50.03	312.27	3.93	-46.10
COC1=CC=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])N=C1	REAL300007713068	0	36	-1.0	-53.45	295.43	1.07	-52.38
CC1=CC=CN=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713069	0	35	-1.0	-55.88	279.41	2.40	-53.48
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713070	0	39	-1.0	-57.90	333.58	2.10	-55.80
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007713071	0	38	-1.0	-63.00	299.67	4.39	-58.61
CCOC1=CC=CN=C1S(=O)(=O)N1CCOCC1CC(=O)[O-]	REAL300007713072	0	39	-1.0	-57.78	317.25	2.87	-54.91
CC1=CC=C(S(=O)(=O)N2CCOCC2CC(=O)[O-])C2=NC=CC=C12	REAL300007713073	0	41	-1.0	-67.87	326.40	5.09	-62.78
CC1=CC(S(=O)(=O)N2CCOCC2CC(=O)[O-])=CC=N1	REAL300007713074	0	35	-1.0	-58.66	285.98	2.85	-55.81
O=C([O-])CC1COCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007713075	0	37	-1.0	-60.93	302.97	3.75	-57.18
O=C([O-])CC1COCCN1S(=O)(=O)N1CCC(F)(F)C1	REAL300007713076	0	35	-1.0	-59.68	286.50	3.14	-56.54
O=C([O-])CC1COCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007713077	0	35	-1.0	-67.53	304.61	2.79	-64.74
O=C([O-])CC1COCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007713078	0	40	-1.0	-57.31	341.90	4.60	-52.71
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCOCC2CC(=O)[O-])=C1	REAL300007713079	0	46	-1.0	-51.51	345.03	5.18	-46.33
COCCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007713080	0	37	-1.0	-49.28	331.24	2.53	-46.75
CCC(C)C1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300007713081	0	44	-1.0	-53.39	367.61	4.66	-48.73
COCCC(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007713082	0	29	-1.0	-51.60	298.92	1.71	-49.89
COCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007713083	0	39	-1.0	-44.39	323.21	2.58	-41.81
COCCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007713084	0	35	-1.0	-40.27	322.43	3.57	-36.70
COCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007713085	0	36	-1.0	-43.27	332.60	2.44	-40.83
COCCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007713086	0	38	-1.0	-59.07	349.63	-0.42	-59.49
COCCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007713087	0	36	-1.0	-49.70	334.93	1.87	-47.83
COCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007713088	0	43	-1.0	-56.52	359.87	2.08	-54.44
COCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007713089	0	35	-1.0	-40.06	319.75	3.52	-36.54
COCCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007713090	0	43	-1.0	-52.94	338.00	2.30	-50.64
COCCC(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007713091	0	38	-1.0	-55.26	323.70	1.02	-54.24
COCCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007713092	0	48	-1.0	-53.42	391.06	5.86	-47.56
COCCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007713093	0	38	-1.0	-56.34	333.66	1.21	-55.13
CCC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300007713094	0	38	-1.0	-54.03	332.07	3.50	-50.53
COCCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007713095	0	32	-1.0	-54.21	303.06	2.72	-51.49
COCCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007713096	0	32	-1.0	-41.59	311.27	2.75	-38.84
COCCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007713097	0	37	-1.0	-48.81	322.70	4.42	-44.39
COCCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007713098	0	38	-1.0	-41.27	347.20	4.06	-37.21
COCCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007713099	0	42	-1.0	-44.63	367.46	-1.36	-45.99
COCCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007713100	0	43	-1.0	-52.35	371.77	3.90	-48.45
COCCC(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007713101	0	35	-1.0	-44.07	317.80	2.86	-41.21
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007713102	0	38	-1.0	-53.39	335.71	2.58	-50.81
COCCC(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007713103	0	39	-1.0	-54.77	344.24	1.79	-52.98
CCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=N1	REAL300007713104	0	38	-1.0	-43.32	339.01	-0.25	-43.57
COCCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007713105	0	41	-1.0	-66.67	373.98	0.28	-66.39
COCCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007713106	0	37	-1.0	-48.00	334.19	-1.92	-49.92
COCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007713107	0	42	-1.0	-54.33	346.65	2.83	-51.50
COCCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007713108	0	37	-1.0	-41.34	327.98	2.44	-38.90
COCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007713109	0	35	-1.0	-56.19	333.85	3.40	-52.79
COCCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007713110	0	37	-1.0	-47.42	330.94	2.51	-44.91
COCCC(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007713111	0	41	-1.0	-52.85	328.97	-0.10	-52.95
COCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007713112	0	41	-1.0	-56.59	360.83	3.35	-53.24
CCN1N=C(C)C(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1C	REAL300007713113	0	41	-1.0	-51.01	345.87	1.92	-49.09
COCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007713114	0	38	-1.0	-45.70	334.74	1.21	-44.49
COCCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007713115	0	41	-1.0	-62.35	354.70	3.36	-58.99
COCCC(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007713116	0	38	-1.0	-61.83	335.60	2.49	-59.34
COCCC(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007713117	0	38	-1.0	-51.57	333.77	0.58	-50.99
COCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007713118	0	44	-1.0	-44.81	335.81	4.86	-39.95
COCCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007713119	0	40	-1.0	-69.08	355.59	1.45	-67.63
COCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007713120	0	40	-1.0	-53.08	359.03	1.77	-51.31
COCCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007713121	0	35	-1.0	-54.00	328.41	3.26	-50.74
COCCC(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007713122	0	35	-1.0	-41.70	303.92	2.90	-38.80
COCCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007713123	0	38	-1.0	-52.71	342.68	4.78	-47.93
COCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007713124	0	37	-1.0	-39.80	338.10	4.20	-35.60
COCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007713125	0	36	-1.0	-52.01	334.62	1.69	-50.32
COCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007713126	0	39	-1.0	-44.12	338.10	3.69	-40.43
COCCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007713127	0	47	-1.0	-54.74	379.54	3.02	-51.72
COCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007713128	0	35	-1.0	-52.93	321.14	2.94	-49.99
COCCC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007713129	0	43	-1.0	-46.14	355.25	1.93	-44.21
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007715001	0	41	-1.0	-64.74	345.10	7.71	-57.03
COC1=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1Cl	REAL300007715002	0	42	-1.0	-44.36	371.54	7.36	-37.00
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CCC1CCCC1	REAL300007715003	0	47	-1.0	-54.09	359.16	8.22	-45.87
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007715004	0	44	-1.0	-58.41	360.95	8.28	-50.13
CC1=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007715005	0	46	-1.0	-57.25	375.27	9.33	-47.92
CC1=NC2=CC=C(S(=O)(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])C=C2O1	REAL300007715006	0	43	-1.0	-47.72	369.00	5.30	-42.42
CCC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1CC	REAL300007715007	0	50	-1.0	-54.72	387.42	9.44	-45.28
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715008	0	46	-1.0	-46.48	358.76	8.70	-37.78
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715009	0	48	-1.0	-50.60	383.14	9.16	-41.44
CC1=C(C)SC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715010	0	41	-1.0	-47.09	359.48	8.19	-38.90
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007715011	0	39	-1.0	-43.34	342.98	5.69	-37.65
CC1=NC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007715012	0	37	-1.0	-46.19	326.69	6.02	-40.17
CCC1=NC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007715013	0	40	-1.0	-51.47	341.21	5.52	-45.95
CC1=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(N)=NO1	REAL300007715014	0	39	-1.0	-46.49	333.17	5.04	-41.45
CN(C)C1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007715015	0	45	-1.0	-47.63	377.10	7.31	-40.32
CC1=CC(C)=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007715016	0	41	-1.0	-46.64	355.10	8.25	-38.39
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007715017	0	44	-1.0	-51.52	373.78	9.10	-42.42
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007715018	0	41	-1.0	-56.11	338.17	7.35	-48.76
CC1=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC(C)=C1F	REAL300007715019	0	44	-1.0	-43.76	373.55	9.14	-34.62
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007715020	0	45	-1.0	-59.94	371.21	6.74	-53.20
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007715021	0	51	-1.0	-58.15	414.65	8.78	-49.37
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007715022	0	42	-1.0	-71.58	351.93	7.27	-64.31
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007715023	0	40	-1.0	-66.57	348.64	7.11	-59.46
CC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007715024	0	40	-1.0	-52.83	328.68	6.12	-46.71
CC1=NC(CS(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300007715025	0	40	-1.0	-55.74	344.23	5.55	-50.19
COC(CS(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300007715026	0	45	-1.0	-59.17	354.80	6.76	-52.41
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007715027	0	41	-1.0	-53.35	352.05	8.46	-44.89
CC1=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1Cl	REAL300007715028	0	41	-1.0	-50.34	361.35	8.60	-41.74
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007715029	0	44	-1.0	-63.78	359.24	7.82	-55.96
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007715030	0	46	-1.0	-48.87	367.14	8.78	-40.09
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007715031	0	47	-1.0	-60.78	378.36	7.80	-52.98
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007715032	0	41	-1.0	-53.81	357.58	8.50	-45.31
CCC1(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300007715033	0	41	-1.0	-42.31	321.79	7.77	-34.54
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715034	0	51	-1.0	-54.28	417.09	9.18	-45.10
COC(CS(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300007715035	0	51	-1.0	-54.00	382.45	7.52	-46.48
COC(CS(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300007715036	0	54	-1.0	-45.72	419.09	8.45	-37.27
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1COC(C)(C)C1	REAL300007715037	0	45	-1.0	-43.14	362.94	6.23	-36.91
CCOC(CS(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300007715038	0	48	-1.0	-45.56	390.60	8.01	-37.55
CCC1=NC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CN1CC1CC1	REAL300007715039	0	51	-1.0	-58.32	415.13	10.66	-47.66
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007715040	0	41	-1.0	-45.27	365.10	7.14	-38.13
CC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007715041	0	46	-1.0	-58.60	371.45	9.16	-49.44
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007715042	0	45	-1.0	-46.14	370.50	7.50	-38.64
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007715043	0	41	-1.0	-50.13	361.51	5.73	-44.40
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007715044	0	48	-1.0	-54.31	382.05	10.67	-43.64
CCC1=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C(C)C=C1OC	REAL300007715045	0	51	-1.0	-58.82	394.58	8.42	-50.40
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007715046	0	40	-1.0	-55.29	339.38	7.32	-47.97
CC1=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007715047	0	47	-1.0	-52.05	376.22	10.72	-41.33
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007715048	0	47	-1.0	-48.96	382.04	5.50	-43.46
COC1=C(F)C=CC=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715049	0	42	-1.0	-57.37	349.06	7.54	-49.83
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007715050	0	50	-1.0	-43.69	404.08	9.79	-33.90
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007715051	0	48	-1.0	-51.06	372.35	8.40	-42.66
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007715052	0	50	-1.0	-44.09	397.86	7.97	-36.12
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007715053	0	48	-1.0	-47.43	392.72	8.04	-39.39
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007715054	0	41	-1.0	-45.73	353.17	6.44	-39.29
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715055	0	45	-1.0	-57.25	372.28	7.42	-49.83
C=CCCC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007715056	0	48	-1.0	-52.81	403.17	10.27	-42.54
CCC1=NN(C)C=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715057	0	44	-1.0	-46.27	354.81	6.29	-39.98
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007715058	0	42	-1.0	-45.01	374.56	9.21	-35.80
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715059	0	44	-1.0	-49.79	346.24	8.60	-41.19
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CCCC1CC1	REAL300007715060	0	44	-1.0	-54.53	350.02	8.04	-46.49
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007715061	0	42	-1.0	-46.68	371.56	9.24	-37.44
CCCC1=CC=CC=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715062	0	47	-1.0	-44.94	363.50	9.11	-35.83
COC1=NC=CC=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715063	0	41	-1.0	-49.79	346.99	5.04	-44.75
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007715064	0	43	-1.0	-67.32	352.01	7.57	-59.75
CC1=NC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])N1C	REAL300007715065	0	41	-1.0	-57.74	340.95	6.24	-51.50
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC=N1	REAL300007715066	0	37	-1.0	-56.28	321.56	5.62	-50.66
CC1=CSC(C)=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715067	0	41	-1.0	-43.47	346.97	8.41	-35.06
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007715068	0	45	-1.0	-48.92	375.25	7.31	-41.61
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007715069	0	45	-1.0	-49.16	359.17	6.92	-42.24
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007715070	0	48	-1.0	-45.08	393.78	8.21	-36.87
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007715071	0	49	-1.0	-49.20	401.56	5.81	-43.39
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007715072	0	45	-1.0	-50.70	364.78	7.60	-43.10
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715073	0	48	-1.0	-48.67	397.99	9.05	-39.62
CC1CC2=CC=CC(S(=O)(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])=C2O1	REAL300007715074	0	46	-1.0	-50.55	381.59	8.25	-42.30
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007715075	0	46	-1.0	-46.86	394.50	7.20	-39.66
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715076	0	43	-1.0	-59.03	367.25	7.30	-51.73
CCN1N=NC=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715077	0	40	-1.0	-42.47	331.71	4.79	-37.68
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007715078	0	47	-1.0	-47.30	372.05	7.66	-39.64
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007715079	0	39	-1.0	-47.05	326.86	5.62	-41.43
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007715080	0	41	-1.0	-55.10	366.32	8.86	-46.24
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007715081	0	45	-1.0	-45.77	376.28	7.41	-38.36
CC1=CC(C)=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1F	REAL300007715082	0	47	-1.0	-47.42	371.49	9.78	-37.64
COC1=CC=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1OC	REAL300007715083	0	46	-1.0	-60.27	372.96	7.25	-53.02
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007715084	0	41	-1.0	-49.59	352.99	7.86	-41.73
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007715085	0	51	-1.0	-50.03	407.12	8.29	-41.74
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715086	0	50	-1.0	-47.68	405.68	8.40	-39.28
CCCCN1C=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C)=N1	REAL300007715087	0	50	-1.0	-47.47	406.60	8.19	-39.28
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007715088	0	45	-1.0	-48.94	373.80	7.30	-41.64
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007715089	0	42	-1.0	-54.08	353.55	6.54	-47.54
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007715090	0	43	-1.0	-74.90	361.55	5.95	-68.95
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300007715091	0	49	-1.0	-44.37	380.46	8.12	-36.25
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007715092	0	48	-1.0	-53.61	369.05	7.40	-46.21
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007715093	0	48	-1.0	-51.48	399.07	8.23	-43.25
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007715094	0	42	-1.0	-57.27	326.35	7.36	-49.91
CCCC1=CC=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715095	0	47	-1.0	-55.36	377.02	9.24	-46.12
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007715096	0	45	-1.0	-52.67	363.72	6.71	-45.96
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007715097	0	44	-1.0	-55.57	349.16	8.43	-47.14
CC1=CC=CC(C)=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715098	0	44	-1.0	-45.75	345.69	9.01	-36.74
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007715099	0	47	-1.0	-46.27	367.59	7.25	-39.02
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007715100	0	47	-1.0	-50.02	392.03	7.44	-42.58
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007715101	0	45	-1.0	-46.56	364.66	6.30	-40.26
CC1=NN(C)C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715102	0	41	-1.0	-54.92	342.35	5.41	-49.51
CC1=CC=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007715103	0	44	-1.0	-45.24	352.52	8.78	-36.46
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715104	0	49	-1.0	-62.77	401.56	9.20	-53.57
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007715105	0	49	-1.0	-55.66	380.57	10.02	-45.64
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007715106	0	44	-1.0	-46.38	368.42	8.17	-38.21
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N(C)C1CCC1	REAL300007715107	0	43	-1.0	-48.33	331.52	6.97	-41.36
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007715108	0	45	-1.0	-58.25	366.92	5.50	-52.75
CN(C(=O)N1CCC(F)(F)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715109	0	42	-1.0	-48.06	329.73	9.50	-38.56
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007715110	0	38	-1.0	-42.39	345.67	7.82	-34.57
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007715111	0	45	-1.0	-54.73	361.90	9.14	-45.59
COC1=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=CS1	REAL300007715112	0	39	-1.0	-45.78	345.74	6.22	-39.56
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007715113	0	48	-1.0	-50.05	387.54	8.70	-41.35
CCC(C)N1N=CC=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715114	0	47	-1.0	-44.57	386.55	7.50	-37.07
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N(C)C(C)(C)C	REAL300007715115	0	45	-1.0	-44.91	337.36	7.67	-37.24
CCC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300007715116	0	41	-1.0	-52.54	343.99	8.54	-44.00
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007715117	0	52	-1.0	-57.07	387.26	8.36	-48.71
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007715118	0	44	-1.0	-53.91	370.43	8.60	-45.31
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007715119	0	42	-1.0	-54.04	366.50	7.06	-46.98
COC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007715120	0	39	-1.0	-45.16	349.80	6.19	-38.97
CC1=CC(C)=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C2=NC=CC=C12	REAL300007715121	0	49	-1.0	-58.49	393.23	9.78	-48.71
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007715122	0	46	-1.0	-54.40	369.97	7.13	-47.27
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300007715123	0	41	-1.0	-51.97	327.28	5.95	-46.02
CCOCC1=CC=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715124	0	48	-1.0	-54.79	402.81	8.18	-46.61
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007715125	0	48	-1.0	-52.13	393.67	9.48	-42.65
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007715126	0	51	-1.0	-47.06	412.90	8.45	-38.61
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300007715127	0	41	-1.0	-44.34	341.67	8.42	-35.92
CC1=CN=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715128	0	40	-1.0	-52.45	328.99	6.26	-46.19
CC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C12	REAL300007715129	0	47	-1.0	-51.00	378.61	10.32	-40.68
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007715130	0	48	-1.0	-47.69	403.85	8.86	-38.83
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CC2CC1C2	REAL300007715131	0	41	-1.0	-47.03	338.31	6.65	-40.38
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007715132	0	42	-1.0	-43.84	363.73	8.88	-34.96
CCOCCCS(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715133	0	44	-1.0	-56.22	354.72	5.73	-50.49
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007715134	0	43	-1.0	-62.47	363.45	1.42	-61.05
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007715135	0	41	-1.0	-55.54	351.10	8.01	-47.53
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1CCC(F)(F)CC1	REAL300007715136	0	44	-1.0	-42.80	356.32	7.98	-34.82
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007715137	0	40	-1.0	-52.91	343.63	6.39	-46.52
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CCOC1CCOC1	REAL300007715138	0	46	-1.0	-46.65	380.79	4.90	-41.75
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC1COCCO1	REAL300007715139	0	43	-1.0	-44.26	354.85	5.18	-39.08
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007715140	0	55	-1.0	-44.21	402.96	10.58	-33.63
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CCN1C=NN=N1	REAL300007715141	0	39	-1.0	-54.39	322.31	5.08	-49.31
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC1CC(C)(C)CO1	REAL300007715142	0	48	-1.0	-58.58	369.90	6.25	-52.33
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007715143	0	41	-1.0	-62.74	342.55	2.91	-59.83
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007715144	0	46	-1.0	-52.43	348.72	7.51	-44.92
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007715145	0	46	-1.0	-63.38	384.36	3.98	-59.40
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007715146	0	51	-1.0	-56.65	385.79	7.58	-49.07
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007715147	0	48	-1.0	-53.77	379.71	9.37	-44.40
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007715148	0	42	-1.0	-57.95	361.85	6.30	-51.65
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007715149	0	47	-1.0	-60.25	366.52	4.64	-55.61
COCCC1(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300007715150	0	45	-1.0	-41.79	355.73	6.61	-35.18
CCN1N=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007715151	0	40	-1.0	-51.99	338.00	5.51	-46.48
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007715152	0	51	-1.0	-43.66	392.56	9.83	-33.83
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007715153	0	42	-1.0	-45.86	370.55	8.92	-36.94
COC1=CC=C(C=C(C)S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007715154	0	49	-1.0	-45.76	400.68	8.60	-37.16
CO[C@@H]1COC[C@@H]1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715155	0	43	-1.0	-44.65	354.20	4.67	-39.98
CC1=COC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715156	0	38	-1.0	-47.66	329.94	6.30	-41.36
CC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300007715157	0	38	-1.0	-52.36	322.54	7.76	-44.60
CCC1=NNC=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715158	0	41	-1.0	-42.05	346.60	5.40	-36.65
COC1=CSC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1OC	REAL300007715159	0	43	-1.0	-49.00	373.41	6.32	-42.68
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007715160	0	50	-1.0	-51.40	381.66	8.85	-42.55
CN(CCC1=CC=CC=C1)S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715161	0	49	-1.0	-46.01	398.52	9.34	-36.67
COC1=CC(F)=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300007715162	0	42	-1.0	-57.48	351.30	6.53	-50.95
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007715163	0	44	-1.0	-50.35	347.54	6.45	-43.90
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007715164	0	45	-1.0	-51.17	379.13	9.40	-41.77
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007715165	0	44	-1.0	-48.76	353.31	9.20	-39.56
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715166	0	49	-1.0	-56.23	400.59	8.79	-47.44
CCN1C=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C2CC2)=N1	REAL300007715167	0	48	-1.0	-48.75	395.33	8.17	-40.58
CC1=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C2=NSN=C2C=C1	REAL300007715168	0	42	-1.0	-47.90	357.35	6.70	-41.20
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007715169	0	37	-1.0	-52.60	354.92	5.41	-47.19
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715170	0	51	-1.0	-45.60	411.89	8.80	-36.80
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C(Cl)OC=C1	REAL300007715171	0	35	-1.0	-44.77	317.95	5.93	-38.84
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300007715172	0	35	-1.0	-50.31	302.14	5.89	-44.42
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007715173	0	46	-1.0	-48.32	371.98	5.20	-43.12
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007715174	0	45	-1.0	-45.86	358.56	9.32	-36.54
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CCC(C)(C)CC1	REAL300007715175	0	49	-1.0	-45.14	378.73	7.76	-37.38
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715176	0	41	-1.0	-44.04	363.30	5.43	-38.61
COC1=NC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007715177	0	44	-1.0	-44.32	372.67	5.04	-39.28
CC(C)CN1C=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007715178	0	47	-1.0	-52.49	358.00	7.47	-45.02
CC1=NN(C(C)C)C=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715179	0	47	-1.0	-48.52	383.66	7.24	-41.28
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007715180	0	48	-1.0	-44.26	389.84	5.54	-38.72
COCC1=CC(CS(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=NO1	REAL300007715181	0	44	-1.0	-58.08	368.18	5.15	-52.93
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007715182	0	49	-1.0	-60.01	394.47	7.69	-52.32
CC(C)N1N=CC=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715183	0	44	-1.0	-44.20	363.04	6.78	-37.42
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007715184	0	45	-1.0	-49.85	373.50	8.18	-41.67
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007715185	0	45	-1.0	-48.58	381.15	8.98	-39.60
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007715186	0	40	-1.0	-51.23	353.55	6.57	-44.66
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007715187	0	43	-1.0	-51.00	360.50	8.01	-42.99
CC1=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=NN1C(C)C	REAL300007715188	0	47	-1.0	-43.10	380.43	7.19	-35.91
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007715189	0	43	-1.0	-57.98	360.35	8.75	-49.23
CC1=CN=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007715190	0	43	-1.0	-59.10	340.07	6.18	-52.92
CC1=CN=CC=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715191	0	40	-1.0	-42.67	325.00	6.28	-36.39
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007715192	0	46	-1.0	-45.82	381.45	3.39	-42.43
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CC2CCC(C1)O2	REAL300007715193	0	45	-1.0	-40.61	343.58	5.25	-35.36
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CCC(C#N)CC1	REAL300007715194	0	44	-1.0	-43.90	363.60	7.11	-36.79
COC1=CC=NC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715195	0	41	-1.0	-59.45	337.94	4.71	-54.74
C=CCN(CC=C)S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715196	0	44	-1.0	-44.11	369.98	7.66	-36.45
COC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C(F)F)=C1	REAL300007715197	0	45	-1.0	-47.06	365.95	7.96	-39.10
COC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])N=C1	REAL300007715198	0	41	-1.0	-58.16	338.48	4.78	-53.38
CC1=CC=CN=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715199	0	40	-1.0	-48.37	331.02	6.37	-42.00
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007715200	0	43	-1.0	-48.20	358.28	7.77	-40.43
CCOC1=CC=CN=C1S(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007715201	0	44	-1.0	-57.06	372.42	6.81	-50.25
CC1=CC=C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C2=NC=CC=C12	REAL300007715202	0	46	-1.0	-55.48	380.29	9.16	-46.32
CC1=CC(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=N1	REAL300007715203	0	40	-1.0	-50.55	329.80	5.75	-44.80
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007715204	0	42	-1.0	-58.08	343.01	8.67	-49.41
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)N1CCC(F)(F)C1	REAL300007715205	0	40	-1.0	-47.00	342.29	6.11	-40.89
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CN=CS1	REAL300007715206	0	34	-1.0	-51.78	281.17	3.62	-48.16
CN(C(CC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007715207	0	40	-1.0	-49.12	349.56	7.26	-41.86
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007715208	0	51	-1.0	-50.39	413.12	9.74	-40.65
CCC(C)C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715209	0	43	-1.0	-54.57	344.00	5.99	-48.58
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715210	0	38	-1.0	-49.77	312.45	3.71	-46.06
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715211	0	34	-1.0	-45.73	301.00	4.86	-40.87
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(C)C(=O)[O-]	REAL300007715212	0	35	-1.0	-49.49	292.58	3.44	-46.05
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(C)C(=O)[O-]	REAL300007715213	0	37	-1.0	-53.79	328.06	0.85	-52.94
CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300007715214	0	35	-1.0	-42.86	309.59	3.08	-39.78
COC1=CC(C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1OC	REAL300007715215	0	42	-1.0	-49.31	341.69	3.46	-45.85
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715216	0	34	-1.0	-44.14	297.93	4.73	-39.41
CC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(C)C(=O)[O-]	REAL300007715217	0	47	-1.0	-45.13	365.42	7.10	-38.03
CC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(C)C(=O)[O-]	REAL300007715218	0	37	-1.0	-47.64	309.05	2.46	-45.18
CC(NS(=O)(=O)C1=CC=CC=C1Br)C(C)C(=O)[O-]	REAL300007715219	0	31	-1.0	-47.37	279.92	3.96	-43.41
CC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(C)C(=O)[O-]	REAL300007715220	0	31	-1.0	-43.75	285.88	3.91	-39.84
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715221	0	36	-1.0	-47.93	301.95	5.71	-42.22
CC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(C)C(=O)[O-]	REAL300007715222	0	37	-1.0	-46.46	328.59	5.32	-41.14
CC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(C)C(=O)[O-]	REAL300007715223	0	41	-1.0	-52.40	351.52	0.00	-52.40
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715224	0	42	-1.0	-54.74	347.77	5.22	-49.52
CC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(C)C(=O)[O-]	REAL300007715225	0	37	-1.0	-46.45	310.52	3.85	-42.60
COCC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715226	0	38	-1.0	-46.77	322.44	3.06	-43.71
CCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=N1	REAL300007715227	0	37	-1.0	-53.15	319.45	0.98	-52.17
CC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(C)C(=O)[O-]	REAL300007715228	0	40	-1.0	-68.30	350.37	1.60	-66.70
CC(NS(=O)(=O)CCCS(C)(=O)=O)C(C)C(=O)[O-]	REAL300007715229	0	36	-1.0	-58.58	315.59	-0.65	-59.23
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C)=C1C	REAL300007715230	0	41	-1.0	-47.85	330.25	4.30	-43.55
CC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(C)C(=O)[O-]	REAL300007715231	0	36	-1.0	-48.89	320.27	3.70	-45.19
CC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(C)C(=O)[O-]	REAL300007715232	0	34	-1.0	-45.36	313.95	4.76	-40.60
CC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(C)C(=O)[O-]	REAL300007715233	0	36	-1.0	-47.81	305.44	3.67	-44.14
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715234	0	48	-1.0	-59.17	407.02	2.48	-56.69
CC(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(C)C(=O)[O-]	REAL300007715235	0	41	-1.0	-54.74	334.38	-1.13	-55.87
CC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007715236	0	40	-1.0	-52.89	336.04	4.54	-48.35
CCN1N=C(C)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1C	REAL300007715237	0	40	-1.0	-55.22	329.50	3.23	-51.99
CC(C)CN1C=NC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715238	0	40	-1.0	-53.00	329.40	4.30	-48.70
CC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(C)C(=O)[O-]	REAL300007715239	0	43	-1.0	-46.33	316.35	5.72	-40.61
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(C)C(=O)[O-]	REAL300007715240	0	44	-1.0	-51.68	372.60	6.32	-45.36
CC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(C)C(=O)[O-]	REAL300007715241	0	39	-1.0	-60.00	330.01	2.69	-57.31
CC(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(C)C(=O)[O-]	REAL300007715242	0	37	-1.0	-44.81	331.80	4.47	-40.34
COC1=CC(Cl)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1OC	REAL300007715243	0	39	-1.0	-43.21	335.98	3.16	-40.05
COC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C(OC)C=C1Br	REAL300007715244	0	39	-1.0	-44.33	333.82	3.17	-41.16
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Br	REAL300007715245	0	34	-1.0	-46.98	304.07	4.48	-42.50
CC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(C)C(=O)[O-]	REAL300007715246	0	37	-1.0	-53.87	322.31	6.21	-47.66
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(C)C(=O)[O-]	REAL300007715247	0	36	-1.0	-40.88	315.17	4.93	-35.95
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(C)C(=O)[O-]	REAL300007715248	0	35	-1.0	-46.38	309.10	2.93	-43.45
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(C)C(=O)[O-]	REAL300007715249	0	38	-1.0	-49.02	331.10	4.53	-44.49
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715250	0	46	-1.0	-56.45	363.26	4.32	-52.13
CC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715251	0	34	-1.0	-54.09	297.49	4.26	-49.83
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715252	0	42	-1.0	-53.00	347.05	2.78	-50.22
COCCN(CCOC)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716001	0	44	-1.0	-59.69	341.81	2.67	-57.02
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716002	0	35	-1.0	-49.49	292.11	5.74	-43.75
COC1=C(C)C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300007716003	0	42	-1.0	-59.48	341.61	6.23	-53.25
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716004	0	48	-1.0	-59.80	382.56	7.77	-52.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007716005	0	46	-1.0	-60.03	365.11	7.65	-52.38
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716006	0	45	-1.0	-60.09	363.60	7.16	-52.93
CCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716007	0	42	-1.0	-60.09	343.49	6.47	-53.62
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300007716008	0	36	-1.0	-58.05	315.84	5.28	-52.77
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007716009	0	36	-1.0	-59.47	325.71	5.59	-53.88
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300007716010	0	39	-1.0	-60.31	319.84	5.47	-54.84
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007716011	0	45	-1.0	-59.83	359.65	7.03	-52.80
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1	REAL300007716012	0	39	-1.0	-49.32	302.57	4.53	-44.79
COCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716013	0	43	-1.0	-62.92	355.62	4.94	-57.98
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007716014	0	35	-1.0	-68.39	301.67	6.36	-62.03
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716015	0	35	-1.0	-46.37	294.43	5.83	-40.54
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300007716016	0	40	-1.0	-46.26	308.70	7.01	-39.25
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716017	0	41	-1.0	-53.51	333.83	2.73	-50.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007716018	0	44	-1.0	-62.01	379.67	3.29	-58.72
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716019	0	40	-1.0	-62.47	347.27	1.61	-60.86
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716020	0	40	-1.0	-50.38	314.83	2.58	-47.80
CC1=NC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300007716021	0	34	-1.0	-58.79	293.49	3.92	-54.87
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007716022	0	35	-1.0	-48.79	298.28	6.01	-42.78
COC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1F	REAL300007716023	0	36	-1.0	-57.48	306.17	4.84	-52.64
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007716024	0	42	-1.0	-64.98	344.52	8.85	-56.13
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007716025	0	35	-1.0	-62.64	329.78	7.33	-55.31
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])S2)=CS1	REAL300007716026	0	38	-1.0	-49.62	342.30	5.31	-44.31
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007716027	0	52	-1.0	-59.88	405.22	9.06	-50.82
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716028	0	40	-1.0	-55.68	324.63	6.31	-49.37
CNC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN1C	REAL300007716029	0	40	-1.0	-61.38	333.36	3.12	-58.26
COC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1	REAL300007716030	0	42	-1.0	-59.03	318.97	5.74	-53.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007716031	0	43	-1.0	-61.60	354.54	9.54	-52.06
COC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300007716032	0	42	-1.0	-51.16	322.70	5.26	-45.90
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007716033	0	40	-1.0	-51.57	309.93	5.89	-45.68
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007716034	0	37	-1.0	-49.73	295.87	5.01	-44.72
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCCC1(C)C(=O)[O-])=C2	REAL300007716035	0	45	-1.0	-66.06	370.12	9.26	-56.80
CCN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007716036	0	37	-1.0	-45.95	308.83	5.13	-40.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007716037	0	39	-1.0	-62.20	341.03	6.12	-56.08
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007716038	0	46	-1.0	-61.50	381.37	8.71	-52.79
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716039	0	40	-1.0	-66.73	333.39	6.69	-60.04
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007716040	0	42	-1.0	-44.66	348.95	6.18	-38.48
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007716041	0	35	-1.0	-79.21	298.95	4.67	-74.54
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716042	0	54	-1.0	-61.27	404.28	8.22	-53.05
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007716043	0	40	-1.0	-64.40	344.31	2.17	-62.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007716044	0	35	-1.0	-63.96	302.72	6.39	-57.57
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300007716045	0	45	-1.0	-52.35	350.79	7.04	-45.31
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716046	0	42	-1.0	-51.21	334.81	6.25	-44.96
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007716047	0	37	-1.0	-68.69	318.60	5.61	-63.08
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007716048	0	39	-1.0	-47.93	323.54	5.72	-42.21
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716049	0	46	-1.0	-62.92	377.48	5.90	-57.02
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716050	0	48	-1.0	-59.85	386.49	8.03	-51.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007716051	0	42	-1.0	-48.61	314.47	7.05	-41.56
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007716052	0	38	-1.0	-50.30	318.95	6.67	-43.63
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007716053	0	36	-1.0	-56.50	327.02	6.91	-49.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007716054	0	37	-1.0	-60.13	306.29	4.72	-55.41
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007716055	0	40	-1.0	-69.28	333.76	6.79	-62.49
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007716056	0	38	-1.0	-73.69	307.45	1.92	-71.77
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007716057	0	37	-1.0	-65.60	318.64	5.61	-59.99
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1	REAL300007716058	0	42	-1.0	-49.45	324.50	5.44	-44.01
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716059	0	40	-1.0	-63.19	346.95	1.60	-61.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007716060	0	36	-1.0	-50.19	301.34	4.91	-45.28
CSC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716061	0	36	-1.0	-60.35	310.84	6.46	-53.89
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007716062	0	38	-1.0	-63.89	334.99	7.31	-56.58
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716063	0	43	-1.0	-63.84	339.77	7.17	-56.67
CCN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])N=C1C	REAL300007716064	0	38	-1.0	-50.81	308.60	4.35	-46.46
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007716065	0	38	-1.0	-50.91	306.28	4.45	-46.46
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007716066	0	37	-1.0	-50.49	295.63	4.88	-45.61
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007716067	0	44	-1.0	-51.10	358.61	6.79	-44.31
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007716068	0	38	-1.0	-57.78	324.76	6.95	-50.83
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007716069	0	38	-1.0	-43.92	335.52	5.51	-38.41
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007716070	0	41	-1.0	-63.42	335.31	7.03	-56.39
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C12	REAL300007716071	0	40	-1.0	-59.12	336.65	5.15	-53.97
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716072	0	39	-1.0	-66.17	341.22	6.20	-59.97
COCC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716073	0	39	-1.0	-63.20	322.74	5.10	-58.10
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=C2O1	REAL300007716074	0	43	-1.0	-52.07	343.24	6.06	-46.01
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007716075	0	35	-1.0	-65.45	310.18	6.76	-58.69
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007716076	0	44	-1.0	-71.57	366.70	3.94	-67.63
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007716077	0	39	-1.0	-64.21	341.92	6.09	-58.12
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007716078	0	40	-1.0	-55.75	328.06	5.52	-50.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007716079	0	35	-1.0	-63.28	323.02	7.18	-56.10
CC1CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C2O1	REAL300007716080	0	40	-1.0	-59.90	327.42	6.05	-53.85
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716081	0	44	-1.0	-59.76	314.17	8.19	-51.57
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716082	0	44	-1.0	-56.82	345.92	3.30	-53.52
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007716083	0	43	-1.0	-60.44	377.31	8.86	-51.58
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007716084	0	38	-1.0	-56.19	330.99	6.10	-50.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007716085	0	38	-1.0	-43.76	345.83	5.96	-37.80
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2)=CO1	REAL300007716086	0	41	-1.0	-65.66	346.75	4.50	-61.16
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007716087	0	35	-1.0	-44.89	295.43	3.28	-41.61
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007716088	0	35	-1.0	-50.04	292.67	5.15	-44.89
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007716089	0	35	-1.0	-57.84	296.36	4.08	-53.76
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300007716090	0	35	-1.0	-57.80	297.55	2.11	-55.69
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007716091	0	40	-1.0	-61.33	324.03	6.06	-55.27
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007716092	0	39	-1.0	-64.71	309.11	7.12	-57.59
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=N2)C=C1	REAL300007716093	0	42	-1.0	-52.08	344.93	6.39	-45.69
CC1CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300007716094	0	40	-1.0	-57.32	344.12	6.56	-50.76
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007716095	0	37	-1.0	-54.91	313.81	6.60	-48.31
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300007716096	0	43	-1.0	-51.49	350.72	5.36	-46.13
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007716097	0	34	-1.0	-58.47	302.43	4.92	-53.55
CN(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716098	0	40	-1.0	-62.97	322.58	5.85	-57.12
CC1=CC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2C=C1	REAL300007716099	0	41	-1.0	-61.06	334.88	8.31	-52.75
COC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])SC=C1	REAL300007716100	0	33	-1.0	-69.72	291.89	3.75	-65.97
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716101	0	40	-1.0	-62.00	321.40	5.83	-56.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007716102	0	37	-1.0	-51.59	301.71	4.68	-46.91
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007716103	0	37	-1.0	-71.44	319.27	5.63	-65.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007716104	0	37	-1.0	-61.08	306.10	5.26	-55.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007716105	0	38	-1.0	-60.77	332.20	7.54	-53.23
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C21	REAL300007716106	0	44	-1.0	-63.60	344.68	5.99	-57.61
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007716107	0	34	-1.0	-56.53	305.07	4.65	-51.88
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716108	0	40	-1.0	-69.81	321.27	5.85	-63.96
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716109	0	40	-1.0	-43.03	317.26	6.42	-36.61
CC1=CC=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007716110	0	40	-1.0	-57.20	316.21	7.88	-49.32
CC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007716111	0	40	-1.0	-55.92	317.48	6.40	-49.52
COC1=CC=C(CCS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716112	0	42	-1.0	-62.34	344.97	6.32	-56.02
COC1=CN=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716113	0	35	-1.0	-58.68	294.96	2.89	-55.79
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300007716114	0	41	-1.0	-46.26	335.85	6.40	-39.86
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007716115	0	39	-1.0	-59.92	316.82	7.50	-52.42
COC1=CC(OC)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716116	0	40	-1.0	-62.80	329.34	4.03	-58.77
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CCCCC1	REAL300007716117	0	44	-1.0	-63.53	338.20	7.25	-56.28
CC1=CC=C(CCS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716118	0	41	-1.0	-63.00	338.84	7.75	-55.25
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-])OCO2	REAL300007716119	0	38	-1.0	-53.11	299.17	3.88	-49.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007716120	0	35	-1.0	-51.58	293.91	5.15	-46.43
COC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Cl	REAL300007716121	0	36	-1.0	-57.23	315.98	5.33	-51.90
CN1C=NC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300007716122	0	38	-1.0	-65.35	318.53	6.79	-58.56
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007716123	0	40	-1.0	-59.18	312.66	6.48	-52.70
CC1=NC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2O1	REAL300007716124	0	37	-1.0	-59.49	313.92	3.09	-56.40
CCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1CC	REAL300007716125	0	44	-1.0	-61.96	347.48	8.00	-53.96
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716126	0	40	-1.0	-53.27	317.72	7.13	-46.14
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716127	0	42	-1.0	-52.62	322.76	6.61	-46.01
CC1=C(C)SC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716128	0	35	-1.0	-46.93	295.07	5.13	-41.80
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007716129	0	33	-1.0	-45.50	283.01	2.66	-42.84
CCC1=NC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300007716130	0	34	-1.0	-47.51	292.93	3.22	-44.29
CN(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300007716131	0	39	-1.0	-60.19	318.80	5.23	-54.96
CC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300007716132	0	35	-1.0	-62.89	302.76	5.89	-57.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007716133	0	38	-1.0	-49.66	302.36	6.31	-43.35
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007716134	0	35	-1.0	-47.75	292.20	3.47	-44.28
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC(C)=C1F	REAL300007716135	0	38	-1.0	-57.33	317.36	6.77	-50.56
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007716136	0	39	-1.0	-68.71	326.31	5.18	-63.53
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007716137	0	45	-1.0	-65.69	370.99	7.08	-58.61
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007716138	0	36	-1.0	-50.72	298.35	4.59	-46.13
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007716139	0	34	-1.0	-51.50	296.17	4.32	-47.18
CC1=NC(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])=CS1	REAL300007716140	0	34	-1.0	-65.56	302.96	4.01	-61.55
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007716141	0	35	-1.0	-63.62	312.96	6.83	-56.79
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Cl	REAL300007716142	0	35	-1.0	-57.53	305.80	6.52	-51.01
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007716143	0	38	-1.0	-71.69	318.42	6.41	-65.28
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2)=N1	REAL300007716144	0	41	-1.0	-59.63	356.59	6.91	-52.72
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007716145	0	40	-1.0	-51.89	315.22	6.04	-45.85
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007716146	0	39	-1.0	-68.76	335.45	3.29	-65.47
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007716147	0	41	-1.0	-50.58	325.12	5.19	-45.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007716148	0	35	-1.0	-62.74	316.21	6.84	-55.90
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716149	0	57	-1.0	-59.92	450.99	10.37	-49.55
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716150	0	45	-1.0	-59.93	360.43	7.10	-52.83
COC(CS(=O)(=O)N1CCCC1(C)C(=O)[O-])C1CCCC1	REAL300007716151	0	45	-1.0	-64.99	349.53	5.91	-59.08
COC(CS(=O)(=O)N1CCCC1(C)C(=O)[O-])C1CCCCC1	REAL300007716152	0	48	-1.0	-64.32	363.34	6.31	-58.01
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007716153	0	46	-1.0	-58.74	387.80	8.78	-49.96
CCOC(CS(=O)(=O)N1CCCC1(C)C(=O)[O-])C1CC1	REAL300007716154	0	42	-1.0	-64.45	337.53	5.76	-58.69
CCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(C)C	REAL300007716155	0	51	-1.0	-60.70	401.78	8.48	-52.22
CCC1=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN1CC1CC1	REAL300007716156	0	45	-1.0	-56.24	365.36	7.01	-49.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007716157	0	35	-1.0	-48.41	302.57	4.13	-44.28
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007716158	0	40	-1.0	-44.70	321.99	6.78	-37.92
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716159	0	39	-1.0	-56.96	308.59	4.92	-52.04
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007716160	0	45	-1.0	-47.50	357.31	6.70	-40.80
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716161	0	35	-1.0	-52.89	310.18	3.96	-48.93
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007716162	0	43	-1.0	-63.53	371.00	9.53	-54.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007716163	0	42	-1.0	-54.60	325.68	7.90	-46.70
CCC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(C)C=C1OC	REAL300007716164	0	45	-1.0	-51.82	344.33	6.00	-45.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007716165	0	38	-1.0	-56.55	341.33	7.31	-49.24
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300007716166	0	34	-1.0	-54.97	283.58	3.63	-51.34
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007716167	0	41	-1.0	-52.30	313.47	7.77	-44.53
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300007716168	0	41	-1.0	-56.68	339.61	3.99	-52.69
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716169	0	36	-1.0	-51.68	300.45	4.71	-46.97
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(C)C	REAL300007716170	0	48	-1.0	-61.11	380.28	7.68	-53.43
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300007716171	0	44	-1.0	-57.32	348.51	7.68	-49.64
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007716172	0	51	-1.0	-64.73	397.78	10.10	-54.63
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716173	0	42	-1.0	-56.73	322.48	5.19	-51.54
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C(C)(C)C)=N1	REAL300007716174	0	44	-1.0	-50.67	337.56	5.08	-45.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007716175	0	42	-1.0	-46.11	330.39	4.95	-41.16
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716176	0	35	-1.0	-40.39	289.73	3.70	-36.69
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716177	0	39	-1.0	-66.75	330.89	5.75	-61.00
C=CCCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716178	0	42	-1.0	-61.12	347.86	8.23	-52.89
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716179	0	38	-1.0	-50.75	310.28	3.82	-46.93
CCCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(C)C	REAL300007716180	0	54	-1.0	-59.28	423.27	9.26	-50.02
CC1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007716181	0	36	-1.0	-46.65	314.56	6.60	-40.05
CCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007716182	0	54	-1.0	-60.94	414.34	9.15	-51.79
CCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1CC	REAL300007716183	0	48	-1.0	-59.42	384.86	7.94	-51.48
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716184	0	38	-1.0	-55.79	306.24	6.97	-48.82
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716185	0	38	-1.0	-62.69	334.02	7.49	-55.20
CC1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007716186	0	36	-1.0	-48.44	312.07	6.51	-41.93
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716187	0	41	-1.0	-50.36	317.47	7.21	-43.15
COC1=NC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716188	0	35	-1.0	-48.38	289.37	2.04	-46.34
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716189	0	48	-1.0	-54.57	380.41	7.58	-46.99
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007716190	0	37	-1.0	-49.47	295.73	4.93	-44.54
CC1=CSC(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716191	0	35	-1.0	-43.67	282.59	5.35	-38.32
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007716192	0	39	-1.0	-45.49	312.89	4.28	-41.21
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007716193	0	39	-1.0	-48.49	313.62	4.57	-43.92
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007716194	0	42	-1.0	-45.32	325.57	5.79	-39.53
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007716195	0	43	-1.0	-53.30	341.37	2.79	-50.51
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007716196	0	38	-1.0	-50.37	329.77	5.54	-44.83
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007716197	0	39	-1.0	-54.49	305.95	4.63	-49.86
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(C)C	REAL300007716198	0	57	-1.0	-59.24	444.77	10.04	-49.20
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300007716199	0	48	-1.0	-51.34	359.23	6.37	-44.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716200	0	42	-1.0	-50.47	335.53	6.17	-44.30
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(C)C	REAL300007716201	0	55	-1.0	-62.74	435.76	7.90	-54.84
CC1CC2=CC=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=C2O1	REAL300007716202	0	40	-1.0	-51.81	322.72	5.42	-46.39
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300007716203	0	40	-1.0	-48.42	331.57	4.29	-44.13
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007716204	0	38	-1.0	-63.37	318.07	5.80	-57.57
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716205	0	37	-1.0	-55.38	301.94	4.26	-51.12
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007716206	0	41	-1.0	-59.96	311.98	5.30	-54.66
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007716207	0	36	-1.0	-45.55	320.04	5.30	-40.25
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007716208	0	33	-1.0	-55.88	285.02	4.21	-51.67
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007716209	0	35	-1.0	-48.28	301.59	6.18	-42.10
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716210	0	39	-1.0	-56.05	320.42	5.07	-50.98
CC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1F	REAL300007716211	0	41	-1.0	-58.98	315.05	6.97	-52.01
COC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1OC	REAL300007716212	0	40	-1.0	-55.38	323.43	4.52	-50.86
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007716213	0	35	-1.0	-49.66	295.19	5.12	-44.54
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C2CCCC2)=N1	REAL300007716214	0	45	-1.0	-49.18	347.07	5.34	-43.84
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716215	0	44	-1.0	-53.32	341.35	5.24	-48.08
CCCCN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=N1	REAL300007716216	0	44	-1.0	-47.39	350.75	5.40	-41.99
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C2CC2)=N1	REAL300007716217	0	39	-1.0	-49.44	317.48	4.51	-44.93
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007716218	0	36	-1.0	-60.69	309.89	5.02	-55.67
CN1N=NC2=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=CC=C21	REAL300007716219	0	37	-1.0	-52.85	310.18	3.24	-49.61
CC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Br	REAL300007716220	0	38	-1.0	-47.78	313.93	6.41	-41.37
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCCC(C)(C)C1	REAL300007716221	0	43	-1.0	-60.99	321.39	5.70	-55.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007716222	0	38	-1.0	-42.07	333.23	5.93	-36.14
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C2CCC2)=N1	REAL300007716223	0	42	-1.0	-48.91	333.03	4.90	-44.01
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716224	0	50	-1.0	-51.38	369.79	8.22	-43.16
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007716225	0	38	-1.0	-60.48	338.88	7.26	-53.22
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007716226	0	42	-1.0	-52.40	336.93	5.25	-47.15
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007716227	0	36	-1.0	-48.19	302.13	6.04	-42.15
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007716228	0	43	-1.0	-49.20	361.90	7.66	-41.54
COC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007716229	0	41	-1.0	-77.98	332.77	7.05	-70.93
CCCC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716230	0	41	-1.0	-61.53	332.06	7.59	-53.94
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716231	0	39	-1.0	-58.15	310.30	4.77	-53.38
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716232	0	41	-1.0	-48.04	314.21	4.47	-43.57
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300007716233	0	41	-1.0	-51.54	327.46	4.31	-47.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007716234	0	39	-1.0	-46.66	310.02	3.58	-43.08
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007716235	0	37	-1.0	-53.63	321.42	5.26	-48.37
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007716236	0	35	-1.0	-55.49	315.48	6.50	-48.99
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716237	0	43	-1.0	-66.40	354.90	7.46	-58.94
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007716238	0	43	-1.0	-50.70	333.35	7.85	-42.85
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007716239	0	38	-1.0	-45.43	327.32	5.83	-39.60
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007716240	0	38	-1.0	-59.34	311.57	5.87	-53.47
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007716241	0	39	-1.0	-69.85	323.27	3.88	-65.97
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716242	0	42	-1.0	-57.72	366.32	6.20	-51.52
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007716243	0	32	-1.0	-47.72	286.73	4.99	-42.73
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007716244	0	39	-1.0	-61.53	316.64	7.47	-54.06
COC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=CS1	REAL300007716245	0	33	-1.0	-48.52	287.63	3.26	-45.26
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007716246	0	42	-1.0	-48.82	331.12	5.29	-43.53
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716247	0	41	-1.0	-48.64	323.50	4.57	-44.07
CN(C1CCCCCC1)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716248	0	46	-1.0	-59.37	335.13	6.29	-53.08
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C2CCOCC2)=N1	REAL300007716249	0	46	-1.0	-48.75	356.82	3.58	-45.17
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716250	0	38	-1.0	-61.17	320.88	6.92	-54.25
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007716251	0	36	-1.0	-60.29	309.57	5.01	-55.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007716252	0	47	-1.0	-61.25	362.48	7.96	-53.29
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300007716253	0	33	-1.0	-45.41	286.66	3.21	-42.20
CC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=NC=CC=C12	REAL300007716254	0	43	-1.0	-72.29	333.20	8.05	-64.24
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007716255	0	40	-1.0	-59.24	322.33	5.38	-53.86
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007716256	0	35	-1.0	-48.35	295.61	3.29	-45.06
CCOCC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716257	0	42	-1.0	-63.32	344.59	6.07	-57.25
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716258	0	42	-1.0	-57.01	348.17	6.55	-50.46
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007716259	0	45	-1.0	-45.94	349.37	5.56	-40.38
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007716260	0	43	-1.0	-59.19	360.04	8.31	-50.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007716261	0	35	-1.0	-48.88	281.22	5.38	-43.50
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC(C)=C1Br	REAL300007716262	0	38	-1.0	-57.78	328.03	7.18	-50.60
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300007716263	0	41	-1.0	-53.17	318.36	7.32	-45.85
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007716264	0	42	-1.0	-51.18	340.58	6.01	-45.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007716265	0	36	-1.0	-59.38	311.07	6.83	-52.55
CC1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007716266	0	36	-1.0	-46.48	319.12	6.70	-39.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007716267	0	36	-1.0	-58.67	325.95	7.39	-51.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007716268	0	37	-1.0	-71.00	316.01	-0.54	-71.54
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007716269	0	35	-1.0	-55.65	292.22	5.03	-50.62
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007716270	0	38	-1.0	-67.16	298.67	5.74	-61.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007716271	0	34	-1.0	-60.08	301.18	4.83	-55.25
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCOC1CCOC1	REAL300007716272	0	40	-1.0	-62.17	327.00	2.77	-59.40
CC1=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007716273	0	41	-1.0	-48.49	333.51	3.76	-44.73
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007716274	0	49	-1.0	-64.94	347.09	8.37	-56.57
CC1(C)COC(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300007716275	0	42	-1.0	-69.33	333.59	4.78	-64.55
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007716276	0	35	-1.0	-71.25	303.16	1.26	-69.99
CC(C)(CS(=O)(=O)N1CCCC1(C)C(=O)[O-])C(C)(F)F	REAL300007716277	0	40	-1.0	-59.42	309.20	5.96	-53.46
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCCS(C)(=O)=O	REAL300007716278	0	40	-1.0	-71.09	340.69	2.34	-68.75
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007716279	0	45	-1.0	-66.14	346.40	6.08	-60.06
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007716280	0	42	-1.0	-63.30	342.68	7.88	-55.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007716281	0	36	-1.0	-67.04	320.14	4.61	-62.43
CC1(C(=O)[O-])CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007716282	0	42	-1.0	-67.08	352.11	8.41	-58.67
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007716283	0	41	-1.0	-69.12	324.73	3.21	-65.91
CC1(C(=O)[O-])CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007716284	0	45	-1.0	-62.89	337.71	7.54	-55.35
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007716285	0	36	-1.0	-46.29	306.70	6.07	-40.22
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007716286	0	54	-1.0	-61.28	400.03	9.61	-51.67
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716287	0	43	-1.0	-61.01	339.76	6.38	-54.63
COC1=CSC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1OC	REAL300007716288	0	37	-1.0	-64.22	323.87	3.54	-60.68
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007716289	0	44	-1.0	-61.21	329.75	5.90	-55.31
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716290	0	43	-1.0	-61.63	347.97	7.17	-54.46
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007716291	0	36	-1.0	-51.61	313.84	5.57	-46.04
COC1=CC(F)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(F)=C1	REAL300007716292	0	36	-1.0	-62.35	305.99	4.96	-57.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007716293	0	36	-1.0	-62.93	315.79	5.07	-57.86
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716294	0	38	-1.0	-58.52	308.75	5.13	-53.39
CN1C=CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300007716295	0	39	-1.0	-64.37	323.97	7.20	-57.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007716296	0	41	-1.0	-59.11	349.16	5.92	-53.19
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716297	0	45	-1.0	-59.80	356.75	7.43	-52.37
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007716298	0	43	-1.0	-64.09	359.44	8.28	-55.81
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716299	0	38	-1.0	-57.21	303.63	6.49	-50.72
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007716300	0	33	-1.0	-45.27	307.01	3.64	-41.63
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716301	0	43	-1.0	-61.42	353.65	7.04	-54.38
CCN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C2CC2)=N1	REAL300007716302	0	42	-1.0	-49.46	338.68	5.24	-44.22
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007716303	0	36	-1.0	-69.10	300.26	4.81	-64.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007716304	0	38	-1.0	-58.24	330.22	8.15	-50.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007716305	0	42	-1.0	-59.29	361.24	9.36	-49.93
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007716306	0	31	-1.0	-51.47	291.93	3.39	-48.08
CCC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Br	REAL300007716307	0	38	-1.0	-57.19	329.50	7.33	-49.86
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716308	0	45	-1.0	-48.20	349.69	5.89	-42.31
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007716309	0	29	-1.0	-43.77	271.62	4.26	-39.51
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716310	0	46	-1.0	-52.29	368.15	5.15	-47.14
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007716311	0	38	-1.0	-48.99	318.06	7.30	-41.69
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716312	0	40	-1.0	-56.75	314.12	2.93	-53.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007716313	0	39	-1.0	-49.70	298.05	6.45	-43.25
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C)(C)CC1	REAL300007716314	0	43	-1.0	-59.48	319.08	5.38	-54.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007716315	0	47	-1.0	-60.06	372.90	5.86	-54.20
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716316	0	35	-1.0	-45.81	306.05	2.52	-43.29
COC1=NC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300007716317	0	38	-1.0	-56.81	317.79	2.85	-53.96
CC(C)CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300007716318	0	41	-1.0	-43.31	325.95	4.75	-38.56
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716319	0	41	-1.0	-49.07	325.16	4.15	-44.92
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007716320	0	42	-1.0	-63.37	331.62	3.18	-60.19
COCC1=CC(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])=NO1	REAL300007716321	0	38	-1.0	-68.80	326.73	3.46	-65.34
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007716322	0	37	-1.0	-48.02	319.73	6.73	-41.29
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])N=C1	REAL300007716323	0	43	-1.0	-50.33	339.50	5.44	-44.89
CC(C)N1N=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716324	0	38	-1.0	-46.49	304.71	3.95	-42.54
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007716325	0	39	-1.0	-46.55	315.79	4.74	-41.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007716326	0	39	-1.0	-51.72	323.45	6.02	-45.70
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007716327	0	34	-1.0	-48.65	297.17	4.06	-44.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007716328	0	37	-1.0	-65.31	304.26	5.71	-59.60
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=NN1C(C)C	REAL300007716329	0	41	-1.0	-53.34	325.62	4.44	-48.90
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716330	0	46	-1.0	-59.39	380.72	9.05	-50.34
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007716331	0	37	-1.0	-55.31	303.65	5.50	-49.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007716332	0	35	-1.0	-56.76	300.63	5.12	-51.64
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716333	0	40	-1.0	-68.42	323.63	1.17	-67.25
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007716334	0	39	-1.0	-48.48	281.71	2.73	-45.75
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C#N)CC1	REAL300007716335	0	38	-1.0	-62.64	305.10	4.75	-57.89
COC1=CC=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716336	0	35	-1.0	-51.11	292.65	2.47	-48.64
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C(F)F)=C1	REAL300007716337	0	39	-1.0	-54.08	316.16	5.23	-48.85
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])N=C1	REAL300007716338	0	35	-1.0	-49.41	292.52	2.42	-46.99
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716339	0	38	-1.0	-45.82	328.44	3.01	-42.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007716340	0	37	-1.0	-50.50	296.33	4.90	-45.60
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007716341	0	38	-1.0	-56.43	309.14	4.75	-51.68
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=NC=CC=C12	REAL300007716342	0	40	-1.0	-56.23	321.07	6.18	-50.05
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007716343	0	36	-1.0	-49.22	298.92	4.71	-44.51
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007716344	0	34	-1.0	-53.12	297.31	4.08	-49.04
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007716345	0	39	-1.0	-44.88	337.39	5.69	-39.19
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007716346	0	45	-1.0	-51.44	350.60	6.77	-44.67
COCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007716347	0	34	-1.0	-51.95	308.59	1.81	-50.14
CCC(C)C1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716348	0	41	-1.0	-56.24	345.85	3.94	-52.30
COCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007716349	0	36	-1.0	-48.36	314.97	1.88	-46.48
COCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007716350	0	32	-1.0	-57.31	304.34	2.94	-54.37
COCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007716351	0	33	-1.0	-45.91	311.25	1.75	-44.16
COCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007716352	0	35	-1.0	-62.10	328.00	-1.16	-63.26
COCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007716353	0	33	-1.0	-52.71	313.30	1.11	-51.60
COCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007716354	0	40	-1.0	-58.85	341.85	1.48	-57.37
COCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007716355	0	32	-1.0	-54.14	299.73	2.81	-51.33
COCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007716356	0	45	-1.0	-56.02	369.19	5.13	-50.89
COCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007716357	0	35	-1.0	-56.72	311.63	0.51	-56.21
COCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007716358	0	29	-1.0	-56.93	284.84	2.15	-54.78
COCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007716359	0	29	-1.0	-44.00	289.40	2.04	-41.96
COCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007716360	0	34	-1.0	-50.26	298.11	3.67	-46.59
COCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007716361	0	35	-1.0	-43.74	325.68	3.34	-40.40
COCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007716362	0	39	-1.0	-48.23	349.90	-2.05	-50.28
COCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007716363	0	40	-1.0	-55.33	349.61	3.18	-52.15
COCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007716364	0	35	-1.0	-56.34	314.24	1.87	-54.47
COCC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716365	0	36	-1.0	-57.33	322.24	1.08	-56.25
CCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=N1	REAL300007716366	0	35	-1.0	-53.00	316.39	-1.06	-54.06
COCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007716367	0	38	-1.0	-69.67	352.37	-0.47	-70.14
COCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007716368	0	34	-1.0	-50.46	312.67	-2.64	-53.10
COCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007716369	0	39	-1.0	-57.19	328.23	2.20	-54.99
COCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007716370	0	34	-1.0	-46.54	323.68	1.85	-44.69
COCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007716371	0	32	-1.0	-43.08	311.73	2.72	-40.36
COCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007716372	0	34	-1.0	-56.62	308.07	1.73	-54.89
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716373	0	46	-1.0	-62.40	405.35	0.50	-61.90
COCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007716374	0	38	-1.0	-59.66	341.86	2.64	-57.02
CCN1N=C(C)C(S(=O)(=O)NC(COC)C(=O)[O-])=C1C	REAL300007716375	0	38	-1.0	-54.11	324.25	1.17	-52.94
COCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007716376	0	38	-1.0	-53.76	324.04	3.45	-50.31
COCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007716377	0	41	-1.0	-59.07	319.11	3.79	-55.28
COCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007716378	0	42	-1.0	-53.80	371.90	4.37	-49.43
COCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007716379	0	37	-1.0	-56.11	334.57	0.83	-55.28
COCC(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007716380	0	35	-1.0	-54.59	335.51	2.50	-52.09
COCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007716381	0	37	-1.0	-55.55	340.16	1.19	-54.36
COCC(NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300007716382	0	37	-1.0	-46.16	344.21	1.18	-44.98
COCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007716383	0	32	-1.0	-56.61	306.65	2.54	-54.07
COCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007716384	0	35	-1.0	-47.55	324.08	4.15	-43.40
COCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007716385	0	34	-1.0	-50.32	320.35	3.56	-46.76
COCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007716386	0	33	-1.0	-54.82	312.75	0.96	-53.86
COCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007716387	0	36	-1.0	-56.61	333.37	2.59	-54.02
COCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007716388	0	44	-1.0	-57.33	363.48	2.70	-54.63
COCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007716389	0	32	-1.0	-55.91	299.49	2.19	-53.72
COCC1=CC=C(OC)C(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716390	0	40	-1.0	-52.30	351.43	0.95	-51.35
COCCN(CCOC)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722001	0	47	-1.0	-43.48	391.17	2.98	-40.50
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722002	0	38	-1.0	-40.52	347.72	7.36	-33.16
COC1=C(C)C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1C	REAL300007722003	0	45	-1.0	-49.78	391.65	6.65	-43.13
CC(C)COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007722004	0	48	-1.0	-49.72	411.01	7.48	-42.24
CCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007722005	0	45	-1.0	-49.71	390.91	6.79	-42.92
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1Cl	REAL300007722006	0	39	-1.0	-49.62	363.59	5.62	-44.00
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1C	REAL300007722007	0	42	-1.0	-50.09	367.08	6.03	-44.06
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1OC(C)C	REAL300007722008	0	48	-1.0	-49.67	406.87	7.58	-42.09
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=C1	REAL300007722009	0	42	-1.0	-50.33	361.74	6.18	-44.15
COCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007722010	0	46	-1.0	-52.49	403.94	5.41	-47.08
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1F)C1=CC=C(F)C=C1	REAL300007722011	0	38	-1.0	-55.95	347.14	6.51	-49.44
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1C	REAL300007722012	0	43	-1.0	-54.64	365.58	8.83	-45.81
CC1=NC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300007722013	0	37	-1.0	-44.74	342.68	4.34	-40.40
O=C([O-])C(CNS(=O)(=O)C1=CSC2=CC=CC=C12)C1=CC=C(F)C=C1	REAL300007722014	0	38	-1.0	-45.07	342.31	6.85	-38.22
O=C([O-])C(CNS(=O)(=O)CC1CCCC1)C1=CC=C(F)C=C1	REAL300007722015	0	41	-1.0	-53.94	346.67	6.35	-47.59
COC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1F	REAL300007722016	0	39	-1.0	-48.24	353.79	5.13	-43.11
O=C([O-])C(CNS(=O)(=O)C1=CSC=C1)C1=CC=C(F)C=C1	REAL300007722017	0	32	-1.0	-49.30	309.17	4.66	-44.64
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C1=CC=C(F)C=C1	REAL300007722018	0	45	-1.0	-51.91	391.72	9.40	-42.51
O=C([O-])C(CNS(=O)(=O)CC1CCCCC1)C1=CC=C(F)C=C1	REAL300007722019	0	44	-1.0	-53.88	361.68	7.04	-46.84
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722020	0	43	-1.0	-59.07	371.10	7.77	-51.30
CNC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CN1C	REAL300007722021	0	43	-1.0	-48.21	381.40	3.44	-44.77
COC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=C1	REAL300007722022	0	45	-1.0	-49.33	371.06	6.57	-42.76
COC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1C	REAL300007722023	0	45	-1.0	-43.88	382.61	6.60	-37.28
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C2=CC=CN=C2C=C1	REAL300007722024	0	43	-1.0	-46.63	364.73	7.03	-39.60
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)C1=CC=C(F)C=C1	REAL300007722025	0	40	-1.0	-49.55	352.62	6.50	-43.05
CCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C([N+](=O)[O-])=N1	REAL300007722026	0	40	-1.0	-55.77	366.39	6.81	-48.96
CCN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)C([N+](=O)[O-])=N1	REAL300007722026	1	39	-2.0	-124.42	365.99	6.51	-117.91
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722027	0	43	-1.0	-57.35	380.60	7.25	-50.10
CN(C1CC1)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722028	0	37	-1.0	-49.88	322.86	4.64	-45.24
O=C([O-])C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)C1=CC=C(F)C=C1	REAL300007722029	0	38	-1.0	-66.11	345.73	5.18	-60.93
CC1=CC=CC(CS(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722030	0	41	-1.0	-55.06	363.24	7.14	-47.92
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC(F)=C1)C1=CC=C(F)C=C1	REAL300007722031	0	38	-1.0	-55.89	349.12	6.71	-49.18
CC1=CC=CC=C1CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722032	0	41	-1.0	-54.98	358.39	7.22	-47.76
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722033	0	45	-1.0	-48.59	378.75	7.10	-41.49
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=CC=C(F)C=C1	REAL300007722034	0	40	-1.0	-56.81	365.72	5.96	-50.85
O=C([O-])C(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=CC=C(F)C=C1	REAL300007722035	0	42	-1.0	-51.41	378.10	7.10	-44.31
COCCS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722036	0	35	-1.0	-44.31	314.98	2.52	-41.79
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1CCCC2)C1=CC=C(F)C=C1	REAL300007722037	0	45	-1.0	-51.58	373.24	8.67	-42.91
O=C([O-])C(CNS(=O)(=O)C1=CC=C2COCC2=C1)C1=CC=C(F)C=C1	REAL300007722038	0	40	-1.0	-50.20	354.04	5.06	-45.14
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1=CC=C(F)C=C1	REAL300007722039	0	43	-1.0	-60.59	381.71	7.02	-53.57
O=C([O-])C(CNS(=O)(=O)C1CCS(=O)(=O)CC1)C1=CC=C(F)C=C1	REAL300007722040	0	41	-1.0	-61.05	362.92	2.36	-58.69
O=C([O-])C(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=CC=C(F)C=C1	REAL300007722041	0	40	-1.0	-55.28	367.25	6.09	-49.19
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=C1	REAL300007722042	0	45	-1.0	-43.03	382.36	7.08	-35.95
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C1=CC=C(F)C=C1	REAL300007722043	0	39	-1.0	-46.72	346.58	6.06	-40.66
CSC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007722044	0	39	-1.0	-50.13	359.16	6.94	-43.19
CCCCCCCS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722045	0	46	-1.0	-42.81	387.63	7.56	-35.25
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722046	0	46	-1.0	-52.40	387.21	7.59	-44.81
CCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)N=C1C	REAL300007722047	0	41	-1.0	-56.64	363.62	5.55	-51.09
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C1=CC=C(F)C=C1	REAL300007722048	0	41	-1.0	-48.59	351.91	5.33	-43.26
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1=CC=C(F)C=C1	REAL300007722049	0	40	-1.0	-47.38	353.57	6.24	-41.14
O=C([O-])C(CNS(=O)(=O)CC1CCCO1)C1=CC=C(F)C=C1	REAL300007722050	0	39	-1.0	-57.32	336.99	4.31	-53.01
O=C([O-])C(CNS(=O)(=O)CC1CCCCO1)C1=CC=C(F)C=C1	REAL300007722051	0	42	-1.0	-56.57	356.01	4.79	-51.78
O=C([O-])C(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C1=CC=C(F)C=C1	REAL300007722052	0	44	-1.0	-44.81	381.10	7.55	-37.26
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)C=C12	REAL300007722053	0	43	-1.0	-49.71	383.85	5.71	-44.00
O=C([O-])C(CNS(=O)(=O)CC1CC1)C1=CC=C(F)C=C1	REAL300007722054	0	35	-1.0	-44.27	312.90	5.02	-39.25
COCC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722055	0	42	-1.0	-52.32	373.14	5.48	-46.84
CC1(C)CC2=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)=C2O1	REAL300007722056	0	46	-1.0	-49.37	387.53	7.23	-42.14
CCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300007722057	0	38	-1.0	-50.64	343.61	4.54	-46.10
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1Cl)C1=CC=C(F)C=C1	REAL300007722058	0	38	-1.0	-54.46	355.41	6.92	-47.54
CC(C1CC1)N(C)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722059	0	43	-1.0	-50.09	358.89	5.75	-44.34
CN1N=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722060	0	35	-1.0	-43.27	311.50	3.18	-40.09
O=C([O-])C(CNS(=O)(=O)CC1CCOC1)C1=CC=C(F)C=C1	REAL300007722061	0	39	-1.0	-55.15	337.29	3.77	-51.38
CC1CC2=CC(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)=CC=C2O1	REAL300007722062	0	43	-1.0	-50.02	374.60	6.60	-43.42
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722063	0	47	-1.0	-42.79	373.71	9.12	-33.67
CCCCCS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722064	0	40	-1.0	-42.81	344.63	5.99	-36.82
COCCN(C)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722065	0	40	-1.0	-42.25	345.10	3.25	-39.00
CN(CC1CC1)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722066	0	40	-1.0	-50.92	349.12	5.41	-45.51
CN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C(F)(F)F)=N1	REAL300007722067	0	38	-1.0	-51.44	356.97	4.93	-46.51
CN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)C(C(F)(F)F)=N1	REAL300007722067	1	37	-2.0	-119.73	354.31	4.47	-115.26
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C(C)O1	REAL300007722068	0	38	-1.0	-42.47	341.12	5.46	-37.01
CC1=CSC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722069	0	35	-1.0	-43.31	329.86	5.62	-37.69
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2O1)C1=CC=C(F)C=C1	REAL300007722070	0	38	-1.0	-46.42	346.05	6.34	-40.08
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1=CC=C(F)C=C1	REAL300007722070	1	37	-2.0	-129.14	345.61	5.80	-123.34
O=C([O-])C(CNS(=O)(=O)C1=CC=C2OCOC2=C1)C1=CC=C(F)C=C1	REAL300007722071	0	38	-1.0	-45.70	342.34	4.61	-41.09
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300007722072	0	38	-1.0	-48.11	344.71	2.67	-45.44
O=C([O-])C(CNS(=O)(=O)C1=CC=CO1)C1=CC=C(F)C=C1	REAL300007722073	0	32	-1.0	-51.50	300.75	3.75	-47.75
O=C([O-])C(CNS(=O)(=O)C1=CN=C2CCCN12)C1=CC=C(F)C=C1	REAL300007722074	0	39	-1.0	-51.87	345.52	5.42	-46.45
O=C([O-])C(CNS(=O)(=O)C1=COC=C1)C1=CC=C(F)C=C1	REAL300007722075	0	32	-1.0	-50.00	300.07	3.87	-46.13
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)SC=C1	REAL300007722076	0	35	-1.0	-44.56	322.87	5.44	-39.12
O=C([O-])C(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C1=CC=C(F)C=C1	REAL300007722077	0	43	-1.0	-50.75	371.77	6.39	-44.36
O=C([O-])C(CNS(=O)(=O)C1CC2=CC=CC=C2C1)C1=CC=C(F)C=C1	REAL300007722078	0	42	-1.0	-44.01	362.02	7.84	-36.17
O=C([O-])C(CNS(=O)(=O)C1CCOC1)C1=CC=C(F)C=C1	REAL300007722079	0	36	-1.0	-54.50	316.26	2.88	-51.62
C=CCCS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722080	0	35	-1.0	-44.04	315.62	4.81	-39.23
O=C([O-])C(CNS(=O)(=O)C1=CNC=N1)C1=CC=C(F)C=C1	REAL300007722081	0	32	-1.0	-51.81	296.75	3.34	-48.47
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1[N+](=O)[O-]	REAL300007722082	0	40	-1.0	-47.13	362.29	6.95	-40.18
O=C([O-])C(CNS(=O)(=O)CCCF)C1=CC=C(F)C=C1	REAL300007722083	0	34	-1.0	-43.47	308.23	4.57	-38.90
O=C([O-])C(CNS(=O)(=O)CCCCF)C1=CC=C(F)C=C1	REAL300007722084	0	37	-1.0	-45.03	330.90	5.17	-39.86
CC1=NN(C)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722085	0	38	-1.0	-51.27	343.73	4.04	-47.23
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300007722086	0	35	-1.0	-45.75	322.06	4.59	-41.16
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)N(C)N=C1	REAL300007722087	0	38	-1.0	-44.09	334.34	4.23	-39.86
O=C([O-])C(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C1=CC=C(F)C=C1	REAL300007722088	0	37	-1.0	-49.26	349.52	5.47	-43.79
CN(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007722089	0	43	-1.0	-52.31	369.58	6.17	-46.14
C=C(C)CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722090	0	35	-1.0	-43.19	314.47	4.87	-38.32
CC1=CC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)C=C2C=C1	REAL300007722091	0	44	-1.0	-46.91	384.77	8.70	-38.21
COC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)SC=C1	REAL300007722092	0	36	-1.0	-57.39	336.08	3.90	-53.49
C=CCCCS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722093	0	38	-1.0	-44.07	337.12	5.59	-38.48
CN(C)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722094	0	43	-1.0	-51.93	369.57	6.16	-45.77
O=C([O-])C(CNS(=O)(=O)CC1CCC1)C1=CC=C(F)C=C1	REAL300007722095	0	38	-1.0	-54.06	330.15	5.54	-48.52
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCC2)C1=CC=C(F)C=C1	REAL300007722096	0	40	-1.0	-48.85	345.98	5.83	-43.02
O=C([O-])C(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300007722097	0	40	-1.0	-58.05	366.08	5.98	-52.07
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCOC2=C1)C1=CC=C(F)C=C1	REAL300007722098	0	40	-1.0	-51.82	353.32	5.83	-45.99
O=C([O-])C(CNS(=O)(=O)CCC1=CC=C(Cl)C=C1)C1=CC=C(F)C=C1	REAL300007722099	0	41	-1.0	-53.01	380.06	7.79	-45.22
CN1CCCC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)C=C21	REAL300007722100	0	47	-1.0	-51.97	391.74	6.54	-45.43
O=C([O-])C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1=CC=C(F)C=C1	REAL300007722101	0	37	-1.0	-47.60	352.78	4.99	-42.61
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722102	0	43	-1.0	-59.02	372.05	6.28	-52.74
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722103	0	43	-1.0	-48.34	376.90	7.83	-40.51
CC1=CC=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1[N+](=O)[O-]	REAL300007722104	0	43	-1.0	-56.40	373.64	8.74	-47.66
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1[N+](=O)[O-]	REAL300007722105	0	43	-1.0	-42.39	377.11	7.76	-34.63
COC1=CC=C(CCS(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007722106	0	45	-1.0	-54.66	393.73	6.73	-47.93
COC1=CN=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722107	0	38	-1.0	-49.22	342.09	3.45	-45.77
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300007722108	0	44	-1.0	-44.50	390.44	7.42	-37.08
O=C([O-])C(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1)C1=CC=C(F)C=C1	REAL300007722109	0	42	-1.0	-45.01	366.69	7.88	-37.13
COC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CC(OC)=C1	REAL300007722110	0	43	-1.0	-52.18	376.52	4.59	-47.59
O=C([O-])C(CNS(=O)(=O)CCC1CCCCC1)C1=CC=C(F)C=C1	REAL300007722111	0	47	-1.0	-53.22	384.11	7.43	-45.79
CC1=CC=C(CCS(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007722112	0	44	-1.0	-53.41	384.74	7.94	-45.47
CC1=CC2=C(C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)OCO2	REAL300007722113	0	41	-1.0	-51.21	358.78	5.33	-45.88
O=C([O-])C(CNS(=O)(=O)C1=C2OC=CC2=CC=C1)C1=CC=C(F)C=C1	REAL300007722114	0	38	-1.0	-55.93	340.18	5.95	-49.98
COC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1Cl	REAL300007722115	0	39	-1.0	-47.57	363.04	5.84	-41.73
O=C([O-])C(CNS(=O)(=O)CCC1CCCC1)C1=CC=C(F)C=C1	REAL300007722116	0	44	-1.0	-53.72	368.53	7.02	-46.70
CN1C=NC2=CC(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)=CC=C21	REAL300007722117	0	41	-1.0	-53.89	365.74	7.12	-46.77
CC1(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300007722118	0	35	-1.0	-53.39	308.15	5.01	-48.38
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C2=NC=CC=C2C=C1	REAL300007722119	0	43	-1.0	-53.16	371.11	7.54	-45.62
CC1=NC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)C=C2O1	REAL300007722120	0	40	-1.0	-51.12	361.72	3.42	-47.70
CCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1CC	REAL300007722121	0	47	-1.0	-51.07	395.13	8.33	-42.74
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722122	0	43	-1.0	-44.79	369.00	7.78	-37.01
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722123	0	45	-1.0	-54.68	381.61	7.52	-47.16
CC1=C(C)SC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722124	0	38	-1.0	-51.18	351.72	6.18	-45.00
NC1=NC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722125	0	36	-1.0	-41.53	339.68	3.66	-37.87
CC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300007722126	0	34	-1.0	-44.89	325.99	3.61	-41.28
CCC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300007722127	0	37	-1.0	-48.57	347.55	4.57	-44.00
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(N)=NO1	REAL300007722128	0	36	-1.0	-46.31	324.51	3.16	-43.15
CC1=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)C(N)=NO1	REAL300007722128	1	35	-2.0	-112.16	322.11	3.03	-109.13
CN(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300007722129	0	42	-1.0	-51.95	367.40	5.47	-46.48
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300007722130	0	38	-1.0	-44.44	347.07	6.40	-38.04
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1=CC=C(F)C=C1	REAL300007722131	0	41	-1.0	-48.05	341.19	6.83	-41.22
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCO2)C1=CC=C(F)C=C1	REAL300007722132	0	38	-1.0	-54.71	338.41	4.31	-50.40
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CC(C)=C1F	REAL300007722133	0	41	-1.0	-47.47	364.56	7.33	-40.14
O=C([O-])C(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C1=CC=C(F)C=C1	REAL300007722134	0	42	-1.0	-47.54	372.29	5.71	-41.83
O=C([O-])C(CNS(=O)(=O)CCCOCC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300007722135	0	48	-1.0	-46.57	418.25	7.33	-39.24
O=C([O-])C(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C12)C1=CC=C(F)C=C1	REAL300007722136	0	39	-1.0	-56.89	355.88	5.84	-51.05
O=C([O-])C(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C1=CC=C(F)C=C1	REAL300007722137	0	37	-1.0	-49.96	340.63	5.72	-44.24
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300007722138	0	37	-1.0	-50.59	334.67	4.58	-46.01
CC1=NC(CS(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CS1	REAL300007722139	0	37	-1.0	-57.49	348.42	4.16	-53.33
COC(CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C1CC1	REAL300007722140	0	42	-1.0	-56.44	360.57	5.66	-50.78
O=C([O-])C(CNS(=O)(=O)CC1=CC=C(Cl)C=C1)C1=CC=C(F)C=C1	REAL300007722141	0	38	-1.0	-54.01	359.45	7.16	-46.85
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1Cl	REAL300007722142	0	38	-1.0	-48.01	353.53	6.87	-41.14
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1=CC=C(F)C=C1	REAL300007722143	0	41	-1.0	-56.78	366.16	6.75	-50.03
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCCC2)C1=CC=C(F)C=C1	REAL300007722144	0	43	-1.0	-49.01	360.86	6.98	-42.03
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C1=CC=C(F)C=C1	REAL300007722145	0	44	-1.0	-49.73	371.41	6.10	-43.63
O=C([O-])C(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1=CC=C(F)C=C1	REAL300007722146	0	38	-1.0	-53.47	362.60	7.14	-46.33
CCC1(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300007722147	0	38	-1.0	-42.65	316.16	5.66	-36.99
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722148	0	48	-1.0	-51.29	407.55	7.64	-43.65
COC(CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C1CCCC1	REAL300007722149	0	48	-1.0	-53.92	396.33	6.25	-47.67
COC(CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C1CCCCC1	REAL300007722150	0	51	-1.0	-55.01	411.72	6.68	-48.33
CC1(C)CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CO1	REAL300007722151	0	42	-1.0	-51.91	350.84	4.09	-47.82
CCOC(CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C1CC1	REAL300007722152	0	45	-1.0	-55.28	383.05	6.23	-49.05
CCC1=NC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CN1CC1CC1	REAL300007722153	0	48	-1.0	-53.25	411.58	7.55	-45.70
O=C([O-])C(CNS(=O)(=O)C1=CN=C(C2CC2)S1)C1=CC=C(F)C=C1	REAL300007722154	0	38	-1.0	-44.02	356.02	5.46	-38.56
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=C1[N+](=O)[O-]	REAL300007722155	0	43	-1.0	-47.92	381.57	8.12	-39.80
CN1N=CC(C2CC2)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722156	0	42	-1.0	-47.59	364.63	5.64	-41.95
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722157	0	38	-1.0	-41.05	353.01	4.25	-36.80
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C1=CC=C(F)C=C1	REAL300007722158	0	45	-1.0	-50.11	382.39	9.35	-40.76
CCC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C(C)C=C1OC	REAL300007722159	0	48	-1.0	-44.04	403.41	7.47	-36.57
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007722160	0	36	-2.0	-135.37	342.94	4.40	-130.97
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007722160	1	37	-1.0	-53.05	342.46	4.92	-48.13
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C2=CC=CC=C2C=C1	REAL300007722161	0	44	-1.0	-48.05	368.20	8.84	-39.21
CC(C)OC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300007722162	0	44	-1.0	-43.49	385.46	4.51	-38.98
COC1=C(F)C=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722163	0	39	-1.0	-46.66	342.10	5.90	-40.76
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1F	REAL300007722164	0	47	-1.0	-49.24	395.74	8.24	-41.00
CN1N=C2CCCCC2=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722165	0	45	-1.0	-47.43	376.51	6.02	-41.41
CN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C(C)(C)C)=N1	REAL300007722166	0	47	-1.0	-53.97	388.25	6.27	-47.70
O=C([O-])C(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C1=CC=C(F)C=C1	REAL300007722167	0	45	-1.0	-49.42	384.96	6.33	-43.09
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722168	0	38	-1.0	-41.99	343.70	4.36	-37.63
COC1=CC=C(F)C=C1CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722169	0	42	-1.0	-56.11	376.42	5.91	-50.20
C=CCCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007722170	0	45	-1.0	-50.52	395.27	8.54	-41.98
CCC1=NN(C)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722171	0	41	-1.0	-46.33	361.82	4.98	-41.35
O=C([O-])C(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C1=CC=C(F)C=C1	REAL300007722172	0	39	-1.0	-50.55	366.71	7.46	-43.09
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722173	0	41	-1.0	-46.10	357.48	7.63	-38.47
O=C([O-])C(CNS(=O)(=O)CCCC1CC1)C1=CC=C(F)C=C1	REAL300007722174	0	41	-1.0	-53.92	357.42	6.75	-47.17
O=C([O-])C(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C1=CC=C(F)C=C1	REAL300007722175	0	39	-1.0	-52.22	364.22	7.37	-44.85
CCCC1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722176	0	44	-1.0	-42.80	369.11	8.49	-34.31
COC1=NC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722177	0	38	-1.0	-53.15	335.90	3.21	-49.94
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1=CC=C(F)C=C1	REAL300007722178	0	40	-1.0	-53.52	353.64	6.31	-47.21
CC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)N1C	REAL300007722179	0	38	-1.0	-49.38	339.76	4.65	-44.73
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=N1)C1=CC=C(F)C=C1	REAL300007722180	0	34	-1.0	-48.89	310.55	4.09	-44.80
CC1=CSC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722181	0	38	-1.0	-47.25	340.46	6.69	-40.56
O=C([O-])C(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C1=CC=C(F)C=C1	REAL300007722182	0	42	-1.0	-51.21	367.97	5.44	-45.77
O=C([O-])C(CNS(=O)(=O)C1=CC=NN1C1CCC1)C1=CC=C(F)C=C1	REAL300007722183	0	42	-1.0	-46.43	364.82	5.88	-40.55
O=C([O-])C(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C1=CC=C(F)C=C1	REAL300007722184	0	45	-1.0	-42.91	379.61	6.23	-36.68
CC1(C)COC2=C(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)C=NN2C1	REAL300007722185	0	46	-1.0	-54.53	388.99	3.81	-50.72
O=C([O-])C(CNS(=O)(=O)C1=CN=C2CCCCN12)C1=CC=C(F)C=C1	REAL300007722186	0	42	-1.0	-46.73	359.01	5.88	-40.85
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722187	0	45	-1.0	-46.97	378.43	7.01	-39.96
CC1CC2=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)=C2O1	REAL300007722188	0	43	-1.0	-57.24	365.32	6.27	-50.97
CC(C)(C)C1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300007722189	0	43	-1.0	-44.76	386.13	5.44	-39.32
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722190	0	40	-1.0	-60.80	359.82	5.34	-55.46
CCN1N=NC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722191	0	37	-1.0	-46.40	332.00	3.10	-43.30
O=C([O-])C(CNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C1=CC=C(F)C=C1	REAL300007722192	0	44	-1.0	-42.58	360.99	5.87	-36.71
O=C([O-])C(CNS(=O)(=O)C1=CC2=NON=C2C=C1)C1=CC=C(F)C=C1	REAL300007722193	0	36	-1.0	-46.16	332.40	4.77	-41.39
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2S1)C1=CC=C(F)C=C1	REAL300007722194	0	38	-1.0	-51.92	356.92	7.19	-44.73
CN1N=C(C2CC2)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722195	0	42	-1.0	-44.94	368.38	5.55	-39.39
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=C1F	REAL300007722196	0	44	-1.0	-42.30	364.42	7.98	-34.32
COC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1OC	REAL300007722197	0	43	-1.0	-47.79	363.93	5.76	-42.03
O=C([O-])C(CNS(=O)(=O)C1=COC2=CC=CC=C12)C1=CC=C(F)C=C1	REAL300007722198	0	38	-1.0	-51.74	340.48	5.95	-45.79
CN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C2CCCC2)=N1	REAL300007722199	0	48	-1.0	-52.27	392.19	6.02	-46.25
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722200	0	47	-1.0	-49.74	396.71	6.59	-43.15
CCCCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=N1	REAL300007722201	0	47	-1.0	-50.68	408.26	6.45	-44.23
CN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C2CC2)=N1	REAL300007722202	0	42	-1.0	-46.74	354.36	5.11	-41.63
O=C([O-])C(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1=CC=C(F)C=C1	REAL300007722203	0	39	-1.0	-52.34	358.21	5.49	-46.85
CN1N=NC2=C(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)C=CC=C21	REAL300007722204	0	40	-1.0	-63.59	355.89	4.40	-59.19
CC1(C)CCCN(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300007722205	0	46	-1.0	-42.42	370.76	6.34	-36.08
CN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C2CCC2)=N1	REAL300007722206	0	45	-1.0	-52.26	375.41	5.54	-46.72
O=C([O-])C(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1=CC=C(F)C=C1	REAL300007722207	0	45	-1.0	-50.29	391.51	6.62	-43.67
O=C([O-])C(CNS(=O)(=O)C1=C(C2CC2)C=CS1)C1=CC=C(F)C=C1	REAL300007722208	0	39	-1.0	-44.95	353.02	7.15	-37.80
CCCC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722209	0	44	-1.0	-50.54	381.90	8.20	-42.34
CN1N=C2CCCC2=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722210	0	42	-1.0	-49.06	363.75	5.27	-43.79
O=C([O-])C(CNS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)C1=CC=C(F)C=C1	REAL300007722211	0	41	-1.0	-50.33	346.33	5.17	-45.16
CC1=CC=CC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722212	0	41	-1.0	-49.87	345.66	7.44	-42.43
CC(C)(C)N1N=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722213	0	44	-1.0	-42.69	360.14	5.61	-37.08
CC(C)(C)N1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300007722214	0	44	-1.0	-50.25	382.03	5.69	-44.56
O=C([O-])C(CNS(=O)(=O)C1=CNN=C1C1CCC1)C1=CC=C(F)C=C1	REAL300007722215	0	42	-1.0	-50.49	351.92	4.47	-46.02
CC1=NN(C)C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722216	0	38	-1.0	-43.71	334.85	3.67	-40.04
CC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1C	REAL300007722217	0	41	-1.0	-51.79	350.33	7.21	-44.58
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722218	0	46	-1.0	-57.05	402.10	8.02	-49.03
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1=CC=C(F)C=C1	REAL300007722219	0	46	-1.0	-51.50	387.71	8.80	-42.70
O=C([O-])C(CNS(=O)(=O)N1CC2=CC=CC=C2C1)C1=CC=C(F)C=C1	REAL300007722220	0	41	-1.0	-43.97	358.74	6.40	-37.57
CN(C1CCC1)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722221	0	40	-1.0	-50.70	339.71	5.05	-45.65
O=C([O-])C(CNS(=O)(=O)CC1=NOC2=C1COCC2)C1=CC=C(F)C=C1	REAL300007722222	0	42	-1.0	-56.77	372.02	4.27	-52.50
O=C([O-])C(CNC(=O)N1CCC(F)(F)CC1)C1=CC=C(F)C=C1	REAL300007722223	0	39	-1.0	-44.43	327.85	8.13	-36.30
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CCC(C)N1N=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722228	0	44	-1.0	-47.20	377.48	5.88	-41.32
CN(C(C)(C)C)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722229	0	42	-1.0	-41.98	342.33	5.43	-36.55
CCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300007722230	0	38	-1.0	-51.32	344.15	5.36	-45.96
CN(C1CCCCCC1)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722231	0	49	-1.0	-42.07	380.79	6.69	-35.38
CC(F)(F)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722232	0	41	-1.0	-50.11	370.73	7.52	-42.59
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COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300007722234	0	36	-1.0	-44.17	341.24	4.23	-39.94
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CCOCC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722237	0	45	-1.0	-51.92	394.44	6.67	-45.25
O=C([O-])C(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1=CC=C(F)C=C1	REAL300007722238	0	48	-1.0	-44.45	402.68	6.90	-37.55
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CC1=CN=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722240	0	37	-1.0	-44.70	333.91	4.64	-40.06
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CCOCCCS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722244	0	41	-1.0	-44.89	358.34	4.29	-40.60
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O=C([O-])C(CNS(=O)(=O)CCN1C=NN=N1)C1=CC=C(F)C=C1	REAL300007722252	0	36	-1.0	-57.61	332.86	3.63	-53.98
CC1(C)COC(CS(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300007722253	0	45	-1.0	-56.76	377.69	5.47	-51.29
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CC(C)(CS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C(C)(F)F	REAL300007722255	0	43	-1.0	-44.57	355.28	6.42	-38.15
CS(=O)(=O)CCCCS(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722256	0	43	-1.0	-55.87	387.94	2.59	-53.28
CC1(C)CCC(CS(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)OC1	REAL300007722257	0	48	-1.0	-55.60	391.81	6.34	-49.26
O=C([O-])C(CNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C1=CC=C(F)C=C1	REAL300007722258	0	45	-1.0	-44.02	387.99	8.06	-35.96
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O=C([O-])C(CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C1=CC=C(F)C=C1	REAL300007722260	0	44	-1.0	-47.94	369.92	3.22	-44.72
COCCC1(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300007722261	0	42	-1.0	-45.01	352.26	4.67	-40.34
CCN1N=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007722262	0	37	-1.0	-46.21	336.46	2.68	-43.53
CCN1N=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007722262	1	36	-2.0	-119.34	336.39	2.49	-116.85
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COC1=CC=C(C=C(C)S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300007722265	0	46	-1.0	-51.92	392.04	6.76	-45.16
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722266	0	40	-1.0	-56.21	347.42	2.82	-53.39
CC1=COC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722267	0	35	-1.0	-50.54	322.12	4.65	-45.89
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300007722268	0	35	-1.0	-45.75	322.06	4.59	-41.16
CCC1=NNC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722269	0	38	-1.0	-50.13	340.79	3.47	-46.66
COC1=CSC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1OC	REAL300007722270	0	40	-1.0	-44.06	365.09	3.81	-40.25
O=C([O-])C(CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1=CC=C(F)C=C1	REAL300007722271	0	47	-1.0	-43.70	375.26	6.36	-37.34
CN(CCC1=CC=CC=C1)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722272	0	46	-1.0	-44.34	395.86	7.84	-36.50
COC1=CC(F)=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300007722273	0	39	-1.0	-52.82	356.06	5.33	-47.49
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300007722273	1	38	-2.0	-128.31	353.85	4.99	-123.32
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722274	0	41	-1.0	-46.74	361.86	5.72	-41.02
CN1C=CC2=CC(S(=O)(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)=CC=C21	REAL300007722275	0	42	-1.0	-54.21	371.78	7.52	-46.69
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722276	0	41	-1.0	-59.02	355.00	7.78	-51.24
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722277	0	46	-1.0	-52.20	401.40	7.37	-44.83
CCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C2CC2)=N1	REAL300007722278	0	45	-1.0	-46.56	375.88	5.97	-40.59
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C2=NSN=C2C=C1	REAL300007722279	0	39	-1.0	-58.07	356.09	5.14	-52.93
O=C([O-])C(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C1=CC=C(F)C=C1	REAL300007722280	0	34	-1.0	-49.25	344.87	3.96	-45.29
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722281	0	48	-1.0	-44.83	404.23	6.97	-37.86
O=C([O-])C(CNS(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(F)C=C1	REAL300007722282	0	32	-1.0	-44.68	307.72	3.92	-40.76
O=C([O-])C(CNS(=O)(=O)C1=CC(Cl)=CS1)C1=CC=C(F)C=C1	REAL300007722283	0	32	-1.0	-41.57	325.08	5.47	-36.10
CN1N=C2CCOCC2=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722284	0	43	-1.0	-47.74	368.76	3.43	-44.31
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1C1CC1)C1=CC=C(F)C=C1	REAL300007722285	0	42	-1.0	-44.47	359.22	8.19	-36.28
CC1(C)CCN(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300007722286	0	46	-1.0	-42.98	366.89	5.93	-37.05
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722287	0	38	-1.0	-43.41	351.38	3.65	-39.76
COC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1C	REAL300007722288	0	41	-1.0	-43.79	363.59	3.37	-40.42
CC(C)CN1C=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300007722289	0	44	-1.0	-51.61	381.01	5.92	-45.69
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722290	0	44	-1.0	-50.57	383.96	5.42	-45.15
O=C([O-])C(CNS(=O)(=O)N1CCN(CC(F)F)CC1)C1=CC=C(F)C=C1	REAL300007722291	0	45	-1.0	-45.40	379.69	3.55	-41.85
COCC1=CC(CS(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=NO1	REAL300007722292	0	41	-1.0	-56.51	372.42	3.64	-52.87
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)N=C1	REAL300007722293	0	46	-1.0	-48.83	389.87	6.16	-42.67
CC(C)N1N=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722294	0	41	-1.0	-47.07	359.25	5.24	-41.83
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O=C([O-])C(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300007722296	0	42	-1.0	-46.31	369.39	6.73	-39.58
O=C([O-])C(CNS(=O)(=O)C1=CC=C(C(F)F)C=N1)C1=CC=C(F)C=C1	REAL300007722297	0	37	-1.0	-45.88	344.47	4.87	-41.01
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CC1=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=NN1C(C)C	REAL300007722299	0	44	-1.0	-44.20	380.74	5.58	-38.62
O=C([O-])C(CNS(=O)(=O)C1=NC=CC2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300007722300	0	40	-1.0	-49.50	352.89	6.46	-43.04
CC1=CN=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=C1	REAL300007722301	0	40	-1.0	-46.21	348.78	5.54	-40.67
CC1=CN=CC=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722302	0	37	-1.0	-48.79	327.97	5.08	-43.71
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722303	0	43	-1.0	-57.68	375.74	1.56	-56.12
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N#CC1CCN(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300007722305	0	41	-1.0	-55.09	357.27	5.41	-49.68
COC1=CC=NC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722306	0	38	-1.0	-53.80	343.65	3.18	-50.62
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COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)N=C1	REAL300007722308	0	38	-1.0	-45.53	341.69	3.32	-42.21
CC1=CC=CN=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722309	0	37	-1.0	-48.62	325.08	5.05	-43.57
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CCOC1=CC=CN=C1S(=O)(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300007722311	0	41	-1.0	-52.56	358.63	5.34	-47.22
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C2=NC=CC=C12	REAL300007722312	0	43	-1.0	-52.99	366.24	7.61	-45.38
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=N1	REAL300007722313	0	37	-1.0	-43.21	333.08	4.77	-38.44
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CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300007722318	0	48	-1.0	-47.80	392.63	7.80	-40.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2)C1	REAL300007722319	0	39	-1.0	-53.43	319.10	4.63	-48.80
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(F)=C2)C1	REAL300007722320	0	39	-1.0	-50.43	325.27	4.71	-45.72
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C1	REAL300007722321	0	44	-1.0	-56.30	361.63	5.12	-51.18
CCCCN(C)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722322	0	46	-1.0	-52.15	358.87	4.97	-47.18
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CS2)C1	REAL300007722323	0	36	-1.0	-53.46	308.74	4.23	-49.23
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722324	0	51	-1.0	-52.76	397.64	7.24	-45.52
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)S2)C1	REAL300007722325	0	39	-1.0	-51.91	333.05	4.49	-47.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007722326	0	36	-1.0	-48.79	328.14	4.30	-44.49
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=CC=C2OC)C1	REAL300007722327	0	46	-1.0	-55.96	362.36	5.15	-50.81
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007722328	0	43	-1.0	-51.72	363.18	5.06	-46.66
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOCC2)C1	REAL300007722329	0	42	-1.0	-51.10	329.36	2.10	-49.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300007722330	0	45	-1.0	-59.92	379.65	2.17	-57.75
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007722331	0	43	-1.0	-49.38	364.85	4.43	-44.95
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(OC)=C(OC)C=C2C)C1	REAL300007722332	0	50	-1.0	-55.91	384.63	4.89	-51.02
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2C)C1	REAL300007722333	0	42	-1.0	-51.07	338.52	5.43	-45.64
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)N=C2)C1	REAL300007722334	0	39	-1.0	-56.79	323.51	2.35	-54.44
CCN(CC)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722335	0	43	-1.0	-51.23	339.75	3.74	-47.49
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C2CCCCC2)C1	REAL300007722336	0	50	-1.0	-50.83	376.21	5.77	-45.06
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)N(C)N=C2C)C1	REAL300007722337	0	45	-1.0	-50.99	351.06	3.54	-47.45
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007722338	0	55	-1.0	-52.47	420.82	8.46	-44.01
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007722339	0	45	-1.0	-53.24	363.34	3.80	-49.44
CCC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722340	0	45	-1.0	-53.03	361.85	6.09	-46.94
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007722341	0	39	-1.0	-52.05	327.16	5.59	-46.46
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007722342	0	39	-1.0	-50.19	340.16	5.26	-44.93
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNN=C2C)C1	REAL300007722343	0	39	-1.0	-53.17	319.05	1.78	-51.39
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C1	REAL300007722344	0	44	-1.0	-52.48	337.80	6.26	-46.22
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007722345	0	45	-1.0	-53.10	378.91	6.64	-46.46
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1	REAL300007722346	0	49	-1.0	-62.07	399.06	1.76	-60.31
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C1	REAL300007722347	0	50	-1.0	-57.34	401.38	6.49	-50.85
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=CC(F)=C2)C1	REAL300007722348	0	42	-1.0	-50.20	346.73	5.38	-44.82
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CC2)C1	REAL300007722349	0	42	-1.0	-53.21	332.72	5.27	-47.94
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007722350	0	45	-1.0	-52.10	362.98	5.76	-46.34
COCC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722351	0	46	-1.0	-53.82	374.02	4.38	-49.44
CCOC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=N1	REAL300007722352	0	45	-1.0	-52.72	367.99	2.25	-50.47
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCCS(C)(=O)=O)C1	REAL300007722353	0	44	-1.0	-65.89	364.77	1.23	-64.66
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C(C)=C2C)C1	REAL300007722354	0	49	-1.0	-53.41	366.75	4.78	-48.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007722355	0	44	-1.0	-53.12	359.75	5.04	-48.08
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=NOC=C2)C1	REAL300007722356	0	38	-1.0	-55.03	314.52	3.23	-51.80
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)N(C)N=C2)C1	REAL300007722357	0	42	-1.0	-57.57	336.26	3.44	-54.13
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	REAL300007722358	0	49	-1.0	-59.70	392.88	1.01	-58.69
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C2CCOCC2)C1	REAL300007722359	0	48	-1.0	-51.76	357.37	3.13	-48.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CC3CCC2C3)C1	REAL300007722360	0	45	-1.0	-53.35	348.14	4.35	-49.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)C1	REAL300007722361	0	48	-1.0	-57.42	389.30	6.56	-50.86
CCN1N=C(C)C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1C	REAL300007722362	0	48	-1.0	-55.47	373.01	4.47	-51.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C(C)C)N=C2)C1	REAL300007722363	0	45	-1.0	-55.88	364.24	3.75	-52.13
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC(C)C)C=N2)C1	REAL300007722364	0	48	-1.0	-61.61	384.18	5.61	-56.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C(C)C)C=N2)C1	REAL300007722365	0	45	-1.0	-61.52	365.09	5.02	-56.50
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNC(C(C)C)=N2)C1	REAL300007722366	0	45	-1.0	-56.60	364.75	3.23	-53.37
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C1	REAL300007722367	0	51	-1.0	-54.46	363.04	6.81	-47.65
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C1	REAL300007722368	0	47	-1.0	-70.53	385.26	4.05	-66.48
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCOC2)C1	REAL300007722369	0	46	-1.0	-54.14	350.10	3.99	-50.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(F)=C2C)C1	REAL300007722370	0	42	-1.0	-50.73	332.29	5.72	-45.01
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007722371	0	45	-1.0	-52.43	369.84	7.79	-44.64
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007722372	0	43	-1.0	-54.14	364.93	4.99	-49.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)C1	REAL300007722373	0	54	-1.0	-50.25	412.71	5.95	-44.30
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007722374	0	42	-1.0	-52.14	353.13	5.58	-46.56
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722375	0	50	-1.0	-57.05	395.99	4.22	-52.83
COCCC(C)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722376	0	45	-1.0	-53.46	350.72	3.55	-49.91
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC)C1	REAL300007722377	0	43	-1.0	-56.45	347.29	4.55	-51.90
CCC(C)CS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722378	0	44	-1.0	-53.11	336.24	4.49	-48.62
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007722379	0	57	-1.0	-50.67	407.20	6.93	-43.74
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C1	REAL300007722380	0	47	-1.0	-58.65	373.61	6.24	-52.41
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007722381	0	47	-1.0	-65.80	381.84	6.52	-59.28
CCN(CC1CC1)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722382	0	47	-1.0	-52.23	358.26	5.43	-46.80
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007722383	0	50	-1.0	-51.82	392.42	3.04	-48.78
CCCN1C=NC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722384	0	45	-1.0	-61.62	366.97	5.39	-56.23
COCCOCCOCCS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722385	0	53	-1.0	-57.08	424.26	2.52	-54.56
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCOCC2CC2)C1	REAL300007722386	0	46	-1.0	-52.42	366.83	4.51	-47.91
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC(C)COC2CCCC2)C1	REAL300007722387	0	55	-1.0	-54.23	417.74	5.98	-48.25
COCC(C)CS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722388	0	45	-1.0	-53.95	350.95	2.93	-51.02
CCOCC(C)CS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722389	0	48	-1.0	-53.83	372.80	3.91	-49.92
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007722390	0	47	-1.0	-51.44	370.13	2.20	-49.24
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007722391	0	43	-1.0	-54.83	357.04	4.83	-50.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)C1	REAL300007722392	0	45	-1.0	-52.32	374.38	5.38	-46.94
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)C1	REAL300007722393	0	45	-1.0	-50.89	360.85	5.94	-44.95
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)C1	REAL300007722394	0	45	-1.0	-55.29	360.53	5.90	-49.39
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)C1	REAL300007722395	0	45	-1.0	-50.63	373.29	6.15	-44.48
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C(C)C)C1	REAL300007722396	0	48	-1.0	-55.15	373.04	7.39	-47.76
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007722397	0	51	-1.0	-54.20	389.99	2.23	-51.97
CCOC1=CC=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722398	0	46	-1.0	-52.38	370.21	4.86	-47.52
COCCN1C=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=N1	REAL300007722399	0	46	-1.0	-55.86	379.23	2.28	-53.58
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC(C)(C)C)C1	REAL300007722400	0	47	-1.0	-52.92	356.36	5.39	-47.53
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007722401	0	46	-1.0	-58.63	384.97	5.29	-53.34
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007722402	0	47	-1.0	-57.41	389.26	7.38	-50.03
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007722403	0	44	-1.0	-56.98	360.15	5.00	-51.98
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C)C2)C1	REAL300007722404	0	44	-1.0	-52.84	336.53	3.49	-49.35
COCC1=CC=CC=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722405	0	46	-1.0	-51.97	359.39	4.95	-47.02
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007722406	0	42	-1.0	-59.53	361.19	3.66	-55.87
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007722407	0	42	-1.0	-56.40	357.08	3.47	-52.93
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C1	REAL300007722408	0	50	-1.0	-53.37	395.76	5.87	-47.50
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007722409	0	42	-1.0	-52.11	360.84	3.88	-48.23
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2SC)C1	REAL300007722410	0	43	-1.0	-54.92	350.21	5.54	-49.38
CCC1=CC=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722411	0	45	-1.0	-52.79	361.75	6.07	-46.72
CCC1=CC=C(CS(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722412	0	48	-1.0	-54.80	383.57	6.80	-48.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007722413	0	42	-1.0	-52.53	351.27	5.80	-46.73
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(C)C(C)=C2)C1	REAL300007722414	0	48	-1.0	-55.43	379.10	6.56	-48.87
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)CC(C)C)C1	REAL300007722415	0	46	-1.0	-52.20	351.34	4.66	-47.54
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C2CCCC2)C1	REAL300007722416	0	47	-1.0	-51.25	348.84	4.94	-46.31
CCCN(C)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722417	0	43	-1.0	-52.85	339.74	3.54	-49.31
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOC(C)(C)C2)C1	REAL300007722418	0	48	-1.0	-51.07	361.71	3.50	-47.57
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC(C)=NO2)C1	REAL300007722419	0	41	-1.0	-56.12	341.83	3.66	-52.46
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C1	REAL300007722420	0	51	-1.0	-53.75	409.11	6.16	-47.59
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722421	0	46	-1.0	-62.99	379.64	-0.05	-63.04
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C1	REAL300007722422	0	45	-1.0	-52.39	376.22	6.46	-45.93
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007722423	0	45	-1.0	-60.14	372.15	7.85	-52.29
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CCCO2)C1	REAL300007722424	0	46	-1.0	-55.76	357.61	4.06	-51.70
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007722425	0	45	-1.0	-54.59	379.94	6.43	-48.16
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007722426	0	50	-1.0	-55.11	396.93	6.56	-48.55
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)C1	REAL300007722427	0	48	-1.0	-50.85	383.30	7.43	-43.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C(N(C)C)=C2)C1	REAL300007722428	0	50	-1.0	-51.62	394.05	6.00	-45.62
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007722429	0	44	-1.0	-57.27	355.03	1.51	-55.76
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007722430	0	52	-1.0	-52.71	401.67	5.09	-47.62
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=C(OC)C=C2C)C1	REAL300007722431	0	46	-1.0	-54.63	372.60	5.54	-49.09
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)C1	REAL300007722432	0	43	-1.0	-54.29	374.67	6.82	-47.47
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722433	0	51	-1.0	-55.46	387.84	4.97	-50.49
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC(C)OC)C1	REAL300007722434	0	42	-1.0	-53.27	332.41	2.93	-50.34
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007722435	0	47	-1.0	-50.43	390.10	3.21	-47.22
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC(COC)(C(=O)[O-])C3)C=C12	REAL300007722436	0	46	-1.0	-55.66	379.73	2.31	-53.35
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C1	REAL300007722437	0	44	-1.0	-55.26	362.84	3.74	-51.52
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C(CC)=C1	REAL300007722438	0	57	-1.0	-50.18	406.29	8.83	-41.35
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007722439	0	46	-1.0	-63.30	365.44	4.67	-58.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007722440	0	48	-1.0	-56.25	371.26	7.57	-48.68
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C(F)=C2C)C1	REAL300007722441	0	46	-1.0	-51.32	356.10	4.22	-47.10
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2(C)CCCCC2)C1	REAL300007722442	0	51	-1.0	-53.27	365.61	6.71	-46.56
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007722443	0	48	-1.0	-52.58	370.42	6.43	-46.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007722444	0	47	-1.0	-52.25	386.83	6.48	-45.77
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=NN2C)C1	REAL300007722445	0	38	-1.0	-48.47	309.23	0.88	-47.59
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722446	0	46	-1.0	-51.20	390.71	4.88	-46.32
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(C)C=C2F)C1	REAL300007722447	0	45	-1.0	-59.08	367.92	6.09	-52.99
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300007722448	0	51	0.0	-82.65	397.37	6.55	-76.10
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007722449	0	39	-1.0	-48.28	351.81	4.88	-43.40
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007722450	0	52	-1.0	-55.07	405.06	8.55	-46.52
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)C1	REAL300007722451	0	50	-1.0	-59.51	403.02	5.51	-54.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CCC2)C1	REAL300007722452	0	45	-1.0	-52.93	349.36	5.76	-47.17
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCCC(C)(C)C)C1	REAL300007722453	0	50	-1.0	-53.40	379.00	5.57	-47.83
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007722454	0	48	-1.0	-60.06	376.94	2.37	-57.69
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007722455	0	42	-1.0	-50.51	355.35	5.14	-45.37
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=C(C)N=CS2)C1	REAL300007722456	0	44	-1.0	-54.23	365.01	4.44	-49.79
COCC1(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300007722457	0	43	-1.0	-55.64	336.13	4.77	-50.87
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300007722458	0	49	-1.0	-53.62	364.62	6.60	-47.02
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CC(F)(F)C2)C1	REAL300007722459	0	42	-1.0	-54.79	341.05	5.16	-49.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=C(OC)C=C3CC2)C1	REAL300007722460	0	51	-1.0	-54.55	395.34	6.13	-48.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007722461	0	52	-1.0	-53.45	373.18	7.22	-46.23
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CCOC2)C1	REAL300007722462	0	46	-1.0	-56.33	355.08	3.72	-52.61
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1	REAL300007722463	0	50	-1.0	-68.02	390.18	1.74	-66.28
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007722464	0	48	-1.0	-52.95	368.14	6.35	-46.60
COCC1(C(=O)[O-])CCCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300007722465	0	46	-1.0	-54.91	364.68	7.41	-47.50
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=NN(C)C=C2)C1	REAL300007722466	0	39	-1.0	-54.65	324.30	2.17	-52.48
CCC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007722467	0	47	-1.0	-62.37	381.25	6.49	-55.88
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300007722468	0	39	-1.0	-51.02	335.68	5.17	-45.85
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300007722469	0	39	-1.0	-50.77	340.25	5.27	-45.50
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007722470	0	41	-1.0	-51.44	347.18	5.32	-46.12
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300007722471	0	45	-1.0	-54.28	364.72	6.93	-47.35
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300007722472	0	41	-1.0	-50.40	347.08	5.31	-45.09
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C1	REAL300007722473	0	44	-1.0	-59.74	350.03	5.59	-54.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C=C2)C1	REAL300007722474	0	43	-1.0	-53.74	348.44	3.95	-49.79
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300007722475	0	41	-1.0	-66.12	318.87	5.88	-60.24
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C=C2)C1	REAL300007722476	0	42	-1.0	-53.41	342.03	5.43	-47.98
CCOC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722477	0	46	-1.0	-53.51	371.96	4.98	-48.53
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)C1	REAL300007722478	0	51	-1.0	-52.14	372.80	7.05	-45.09
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=C(C)C=C2C)C1	REAL300007722479	0	48	-1.0	-51.28	358.83	7.21	-44.07
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)C1	REAL300007722480	0	54	-1.0	-54.48	397.67	7.20	-47.28
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300007722481	0	42	-1.0	-50.13	357.92	5.66	-44.47
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C)=C2)C1	REAL300007722482	0	42	-1.0	-53.08	340.27	5.31	-47.77
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=CC=C2)C1	REAL300007722483	0	43	-1.0	-52.47	349.94	6.45	-46.02
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300007722484	0	42	-1.0	-56.27	347.95	6.81	-49.46
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300007722485	0	39	-1.0	-50.32	335.59	5.16	-45.16
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C1	REAL300007722486	0	44	-1.0	-58.57	361.69	5.15	-53.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=CC=C2C)C1	REAL300007722487	0	45	-1.0	-53.93	342.88	5.55	-48.38
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C(C)=C2)C1	REAL300007722488	0	45	-1.0	-53.39	357.28	5.84	-47.55
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C=C2C)C1	REAL300007722489	0	45	-1.0	-53.31	352.22	5.92	-47.39
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C([N+](=O)[O-])=C2)C1	REAL300007722490	0	45	-1.0	-63.81	374.38	5.38	-58.43
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C1	REAL300007722491	0	51	-1.0	-52.65	396.82	7.07	-45.58
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(C)C)C=C2)C1	REAL300007722492	0	48	-1.0	-52.75	379.18	6.58	-46.17
CCCC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722493	0	48	-1.0	-52.86	383.35	6.87	-45.99
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2OC)C1	REAL300007722494	0	43	-1.0	-55.34	346.85	4.61	-50.73
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300007722495	0	42	-1.0	-55.07	340.68	5.34	-49.73
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007722496	0	43	-1.0	-51.78	364.94	4.44	-47.34
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)C1	REAL300007722497	0	54	-1.0	-52.85	385.41	7.48	-45.37
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007722498	0	48	-1.0	-55.46	376.70	4.42	-51.04
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2OC)C1	REAL300007722499	0	55	-1.0	-56.33	417.12	6.81	-49.52
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C1	REAL300007722500	0	44	-1.0	-50.99	363.65	6.54	-44.45
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)NN=C2C)C1	REAL300007722501	0	42	-1.0	-54.14	330.25	2.31	-51.83
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=C(C(C)(C)C)C=C2C)C1	REAL300007722502	0	57	-1.0	-50.93	413.61	8.87	-42.06
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300007722503	0	42	-1.0	-50.97	359.35	5.75	-45.22
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007722504	0	49	-1.0	-52.96	381.59	7.13	-45.83
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(OC)=CC=C2OC)C1	REAL300007722505	0	47	-1.0	-58.50	370.40	3.79	-54.71
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C(OC)=C2)C1	REAL300007722506	0	47	-1.0	-54.76	378.19	4.55	-50.21
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300007722507	0	46	-1.0	-54.10	364.00	6.52	-47.58
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)ON=C2C)C1	REAL300007722508	0	41	-1.0	-47.99	328.11	3.48	-44.51
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300007722509	0	47	-1.0	-53.27	365.87	6.83	-46.44
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300007722510	0	44	-1.0	-53.50	354.39	4.46	-49.04
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)C1	REAL300007722511	0	54	-1.0	-52.97	422.42	8.15	-44.82
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300007722512	0	44	-1.0	-57.83	373.19	-0.40	-58.23
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=C(C)C([N+](=O)[O-])=C2)C1	REAL300007722513	0	47	-1.0	-61.04	379.99	6.36	-54.68
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C1	REAL300007722514	0	47	-1.0	-57.90	373.08	6.40	-51.50
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCCCCC2)C1	REAL300007722515	0	47	-1.0	-52.16	347.30	5.36	-46.80
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C1	REAL300007722516	0	47	-1.0	-58.41	377.15	6.88	-51.53
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C=C2[N+](=O)[O-])C1	REAL300007722517	0	45	-1.0	-51.09	363.12	5.11	-45.98
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2OC)C1	REAL300007722518	0	43	-1.0	-52.29	363.57	5.12	-47.17
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C1	REAL300007722519	0	44	-1.0	-56.46	373.11	-0.41	-56.87
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCCCC2)C1	REAL300007722520	0	44	-1.0	-51.37	337.59	4.55	-46.82
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCCC2)C1	REAL300007722521	0	41	-1.0	-52.33	317.59	3.58	-48.75
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007722522	0	48	-1.0	-52.93	376.57	6.65	-46.28
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C3=NC=CC=C23)C1	REAL300007722523	0	47	-1.0	-54.31	370.60	6.29	-48.02
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])C1	REAL300007722524	0	47	-1.0	-52.35	370.76	7.59	-44.76
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C)CC2)C1	REAL300007722525	0	47	-1.0	-51.09	358.94	5.12	-45.97
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300007722526	0	51	-1.0	-68.68	405.35	4.00	-64.68
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300007722527	0	45	-1.0	-58.31	379.57	2.16	-56.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300007722528	0	49	-1.0	-56.44	392.27	9.26	-47.18
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CC(C)CC(C)C2)C1	REAL300007722529	0	50	-1.0	-51.90	381.27	5.19	-46.71
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007722530	0	45	-1.0	-57.14	355.55	7.35	-49.79
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300007722531	0	49	-1.0	-53.97	393.12	8.07	-45.90
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC=C2C)C1	REAL300007722532	0	42	-1.0	-55.14	327.87	4.94	-50.20
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300007722533	0	40	-1.0	-54.36	345.46	3.11	-51.25
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC)C1	REAL300007722534	0	43	-1.0	-55.71	357.68	5.00	-50.71
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(OC)=C2)C1	REAL300007722535	0	43	-1.0	-52.70	348.36	3.94	-48.76
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722536	0	54	-1.0	-52.48	409.38	7.44	-45.04
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C1	REAL300007722537	0	42	-1.0	-50.33	354.32	5.76	-44.57
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(C)C)C=C2)C1	REAL300007722538	0	49	-1.0	-53.37	388.22	5.50	-47.87
CCC1=CC=CC=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722539	0	45	-1.0	-52.61	346.39	6.72	-45.89
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C)C1	REAL300007722540	0	42	-1.0	-53.82	325.91	5.69	-48.13
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)C(C)=N2)C1	REAL300007722541	0	42	-1.0	-57.99	344.66	3.68	-54.31
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007722542	0	42	-1.0	-55.57	356.26	6.46	-49.11
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300007722543	0	40	-1.0	-53.04	335.37	4.08	-48.96
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007722544	0	44	-1.0	-59.03	355.75	6.24	-52.79
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)C1	REAL300007722545	0	45	-1.0	-51.71	375.06	5.27	-46.44
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C(F)=C2)C1	REAL300007722546	0	43	-1.0	-55.67	355.17	4.72	-50.95
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C(F)=C2)C1	REAL300007722547	0	42	-1.0	-50.33	345.58	5.35	-44.98
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(C)C=C2)C1	REAL300007722548	0	45	-1.0	-54.70	360.95	6.61	-48.09
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)C=N2)C1	REAL300007722549	0	39	-1.0	-62.77	323.66	3.73	-59.04
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CN=C2)C1	REAL300007722550	0	38	-1.0	-51.48	313.96	2.87	-48.61
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCCCC2C)C1	REAL300007722551	0	47	-1.0	-51.29	346.55	5.12	-46.17
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C(C)C)C1	REAL300007722552	0	43	-1.0	-51.23	334.39	3.89	-47.34
CCCN(CCC)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722553	0	49	-1.0	-52.21	380.87	5.78	-46.43
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007722554	0	42	-1.0	-53.04	372.60	6.31	-46.73
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C3=CC=CC=C32)C1	REAL300007722555	0	49	-1.0	-55.71	383.81	6.71	-49.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C1	REAL300007722556	0	44	-1.0	-51.19	350.00	5.58	-45.61
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C1	REAL300007722557	0	44	-1.0	-51.43	350.77	6.32	-45.11
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722558	0	47	-1.0	-49.67	365.46	6.30	-43.37
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(CC(C)C)C=C2)C1	REAL300007722559	0	51	-1.0	-52.86	400.16	7.33	-45.53
COCCC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722560	0	49	-1.0	-53.50	395.52	5.16	-48.34
COCCN(CCOC)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722561	0	51	-1.0	-50.96	400.24	2.12	-48.84
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2C)C1	REAL300007722562	0	42	-1.0	-54.24	338.20	5.40	-48.84
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)C1	REAL300007722563	0	49	-1.0	-52.67	392.48	5.53	-47.14
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OCCC(C)C)C=C2)C1	REAL300007722564	0	55	-1.0	-52.97	432.52	7.08	-45.89
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007722565	0	53	-1.0	-51.85	413.91	6.85	-45.00
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)C1	REAL300007722566	0	52	-1.0	-53.20	413.56	6.47	-46.73
CCCOC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722567	0	49	-1.0	-53.19	393.46	5.78	-47.41
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C(Cl)=C2)C1	REAL300007722568	0	43	-1.0	-54.63	364.97	5.21	-49.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C(C)=C2)C1	REAL300007722569	0	46	-1.0	-53.85	368.43	4.69	-49.16
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)C1	REAL300007722570	0	52	-1.0	-53.38	408.18	6.23	-47.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C=C2C)C1	REAL300007722571	0	46	-1.0	-52.91	360.30	4.55	-48.36
COCCOC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722572	0	50	-1.0	-55.87	405.58	4.25	-51.62
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300007722573	0	42	-1.0	-54.05	344.85	5.96	-48.09
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)C1	REAL300007722574	0	47	-1.0	-64.55	360.38	6.99	-57.56
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)N=C(C)S2)C1	REAL300007722575	0	41	-1.0	-52.90	349.31	3.26	-49.64
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300007722576	0	42	-1.0	-52.45	351.88	6.48	-45.97
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCC2)C1	REAL300007722577	0	45	-1.0	-53.13	342.86	5.63	-47.50
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(F)C(OC)=C2)C1	REAL300007722578	0	43	-1.0	-52.13	354.57	4.01	-48.12
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC=C2)C1	REAL300007722579	0	36	-1.0	-51.23	309.61	3.57	-47.66
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007722580	0	49	-1.0	-53.26	393.06	8.05	-45.21
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007722581	0	42	-1.0	-52.95	373.01	6.94	-46.01
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCCC2)C1	REAL300007722582	0	48	-1.0	-53.01	358.47	6.32	-46.69
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C1	REAL300007722583	0	47	-1.0	-58.55	373.68	6.31	-52.24
CNC(=O)C1=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=CN1C	REAL300007722584	0	47	-1.0	-55.27	383.23	2.31	-52.96
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=C(OC)C=C2C)C1	REAL300007722585	0	49	-1.0	-50.69	366.75	5.84	-44.85
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=C(OC)C=C2C)C1	REAL300007722586	0	49	-1.0	-54.23	371.32	4.96	-49.27
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C1	REAL300007722587	0	47	-1.0	-52.07	362.16	5.73	-46.34
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007722588	0	44	-1.0	-55.13	350.58	5.59	-49.54
CCN1C=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007722589	0	44	-1.0	-60.07	371.52	6.10	-53.97
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722590	0	47	-1.0	-55.97	381.93	5.91	-50.06
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C2CC2)C1	REAL300007722591	0	41	-1.0	-51.61	324.67	3.97	-47.64
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007722592	0	49	-1.0	-57.40	405.44	6.23	-51.17
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300007722593	0	42	-1.0	-62.89	347.03	4.53	-58.36
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)C1	REAL300007722594	0	61	-1.0	-50.90	460.90	7.82	-43.08
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC(C)=C2)C1	REAL300007722595	0	45	-1.0	-54.89	360.94	6.62	-48.27
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300007722596	0	42	-1.0	-56.48	345.94	6.02	-50.46
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC=C2C)C1	REAL300007722597	0	45	-1.0	-54.58	353.86	6.58	-48.00
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722598	0	49	-1.0	-55.62	384.21	6.07	-49.55
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007722599	0	44	-1.0	-70.84	367.14	4.82	-66.02
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007722600	0	46	-1.0	-52.65	379.34	5.74	-46.91
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722601	0	55	-1.0	-53.09	436.45	7.34	-45.75
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007722602	0	49	-1.0	-53.45	370.81	7.08	-46.37
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007722603	0	45	-1.0	-53.04	364.14	7.02	-46.02
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300007722604	0	44	-1.0	-52.14	354.47	3.92	-48.22
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007722605	0	47	-1.0	-58.45	379.43	6.49	-51.96
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007722606	0	45	-1.0	-59.78	362.23	1.19	-58.59
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007722607	0	44	-1.0	-60.76	367.22	4.83	-55.93
CCOC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C(C)=C1	REAL300007722608	0	49	-1.0	-53.09	379.31	5.41	-47.68
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007722609	0	43	-1.0	-55.24	353.84	5.43	-49.81
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(SC)C=C2)C1	REAL300007722610	0	43	-1.0	-53.50	359.14	5.67	-47.83
CCCCCCCS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722611	0	50	-1.0	-53.09	387.12	6.80	-46.29
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007722612	0	45	-1.0	-56.84	378.59	6.96	-49.88
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722613	0	50	-1.0	-54.17	381.22	6.85	-47.32
CCN1C=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)N=C1C	REAL300007722614	0	45	-1.0	-57.66	366.62	4.59	-53.07
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007722615	0	45	-1.0	-55.25	358.80	4.97	-50.28
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=NC=CC=C23)C1	REAL300007722616	0	44	-1.0	-53.69	345.75	4.58	-49.11
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCO2)C1	REAL300007722617	0	43	-1.0	-55.30	335.78	3.40	-51.90
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCCO2)C1	REAL300007722618	0	46	-1.0	-56.70	353.27	4.44	-52.26
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)C1	REAL300007722619	0	45	-1.0	-49.93	373.29	6.16	-43.77
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007722620	0	48	-1.0	-57.67	383.66	6.25	-51.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)C1	REAL300007722621	0	47	-1.0	-51.78	385.24	4.38	-47.40
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC(Cl)=CC=C2OC)C1	REAL300007722622	0	46	-1.0	-55.98	389.27	5.36	-50.62
COCC1=CC=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722623	0	46	-1.0	-53.73	373.93	4.36	-49.37
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C1	REAL300007722624	0	50	-1.0	-55.51	392.49	5.95	-49.56
CCN1C=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=N1	REAL300007722625	0	42	-1.0	-56.90	345.55	3.23	-53.67
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007722626	0	42	-1.0	-53.16	353.01	6.38	-46.78
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C(C)C2CC2)C1	REAL300007722627	0	47	-1.0	-51.77	364.30	4.80	-46.97
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2C)C1	REAL300007722628	0	39	-1.0	-50.02	312.76	2.75	-47.27
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007722629	0	42	-1.0	-54.58	366.58	6.83	-47.75
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCOC2)C1	REAL300007722630	0	43	-1.0	-53.20	332.20	3.14	-50.06
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OC(C)CC3=C2)C1	REAL300007722631	0	47	-1.0	-52.47	376.02	5.26	-47.21
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722632	0	51	-1.0	-50.50	363.37	7.40	-43.10
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007722633	0	45	-1.0	-51.75	385.44	5.31	-46.44
CCCCCS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722634	0	44	-1.0	-53.01	344.12	5.24	-47.77
COCCN(C)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722635	0	44	-1.0	-56.36	350.16	2.62	-53.74
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)CC2CC2)C1	REAL300007722636	0	44	-1.0	-52.07	347.53	4.99	-47.08
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)C1	REAL300007722637	0	48	-1.0	-59.26	395.31	3.72	-55.54
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C1	REAL300007722638	0	42	-1.0	-52.01	350.84	3.85	-48.16
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)OC(C)=C2)C1	REAL300007722639	0	42	-1.0	-54.65	331.05	3.85	-50.80
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=CS2)C1	REAL300007722640	0	39	-1.0	-51.61	332.68	4.34	-47.27
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007722641	0	42	-1.0	-52.18	348.94	5.08	-47.10
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007722642	0	42	-1.0	-51.29	344.49	3.27	-48.02
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)N=C2)C1	REAL300007722643	0	42	-1.0	-52.94	346.14	1.32	-51.62
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CO2)C1	REAL300007722644	0	36	-1.0	-52.25	301.93	2.67	-49.58
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3CCCN23)C1	REAL300007722645	0	43	-1.0	-57.80	348.67	4.29	-53.51
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=COC=C2)C1	REAL300007722646	0	36	-1.0	-51.97	301.87	2.55	-49.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=CS2)C1	REAL300007722647	0	39	-1.0	-53.14	330.89	4.96	-48.18
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007722648	0	47	-1.0	-54.06	372.56	5.27	-48.79
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007722649	0	46	-1.0	-55.17	366.88	6.71	-48.46
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2CCOC2)C1	REAL300007722650	0	40	-1.0	-51.98	305.18	2.05	-49.93
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNC=N2)C1	REAL300007722651	0	36	-1.0	-62.66	300.96	2.03	-60.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)C1	REAL300007722652	0	49	-1.0	-55.84	400.97	6.44	-49.40
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C1	REAL300007722653	0	44	-1.0	-50.71	363.08	5.82	-44.89
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCCCF)C1	REAL300007722654	0	41	-1.0	-54.26	329.22	4.60	-49.66
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)N=C2C)C1	REAL300007722655	0	42	-1.0	-53.76	342.37	3.61	-50.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)O2)C1	REAL300007722656	0	39	-1.0	-55.10	323.78	3.49	-51.61
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=NN2C)C1	REAL300007722657	0	42	-1.0	-50.47	331.33	2.91	-47.56
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007722658	0	41	-1.0	-52.49	350.96	4.13	-48.36
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(N(C)C)C=C2)C1	REAL300007722659	0	47	-1.0	-54.82	373.11	5.17	-49.65
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)C1	REAL300007722660	0	48	-1.0	-54.25	386.07	7.58	-46.67
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(OC)C=CS2)C1	REAL300007722661	0	40	-1.0	-56.34	338.35	3.65	-52.69
C=CCCCS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722662	0	42	-1.0	-53.26	335.44	5.02	-48.24
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(N(C)C)=C2)C1	REAL300007722663	0	47	-1.0	-53.47	369.95	5.02	-48.45
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCC2)C1	REAL300007722664	0	42	-1.0	-53.26	327.78	5.01	-48.25
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007722665	0	44	-1.0	-55.60	354.61	5.20	-50.40
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007722666	0	44	-1.0	-57.39	368.25	4.84	-52.55
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007722667	0	44	-1.0	-58.00	354.21	4.47	-53.53
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007722668	0	45	-1.0	-53.85	378.91	6.65	-47.20
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCCN(C)C3=C2)C1	REAL300007722669	0	51	-1.0	-53.49	393.64	5.87	-47.62
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007722670	0	41	-1.0	-53.32	354.46	3.94	-49.38
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(OC)C=CC=C2OC)C1	REAL300007722671	0	47	-1.0	-58.03	370.98	5.71	-52.32
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C1	REAL300007722672	0	47	-1.0	-50.58	371.83	6.95	-43.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])C1	REAL300007722673	0	47	-1.0	-54.53	365.54	7.31	-47.22
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C1	REAL300007722674	0	47	-1.0	-59.14	370.20	6.88	-52.26
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=C(OC)C=C2)C1	REAL300007722675	0	49	-1.0	-55.21	390.55	6.00	-49.21
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=CC(OC)=C2)C1	REAL300007722676	0	42	-1.0	-53.06	343.49	2.11	-50.95
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C1	REAL300007722677	0	48	-1.0	-51.33	392.10	6.32	-45.01
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007722678	0	46	-1.0	-52.88	368.42	6.76	-46.12
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(OC)=CC(OC)=C2)C1	REAL300007722679	0	47	-1.0	-55.46	377.89	3.25	-52.21
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007722680	0	51	-1.0	-52.82	381.82	6.87	-45.95
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=C(C)C=C2)C1	REAL300007722681	0	48	-1.0	-53.65	382.45	7.38	-46.27
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=C(C=C2C)OCO3)C1	REAL300007722682	0	45	-1.0	-55.77	353.98	3.85	-51.92
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007722683	0	42	-1.0	-55.63	348.61	5.11	-50.52
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)C1	REAL300007722684	0	43	-1.0	-51.51	364.38	4.50	-47.01
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CCCC2)C1	REAL300007722685	0	48	-1.0	-52.83	365.33	6.29	-46.54
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3C(=C2)N=CN3C)C1	REAL300007722686	0	45	-1.0	-56.45	367.09	5.99	-50.46
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C1	REAL300007722687	0	47	-1.0	-57.73	364.06	6.16	-51.57
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C1	REAL300007722688	0	44	-1.0	-55.40	362.18	2.30	-53.10
CCC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1CC	REAL300007722689	0	51	-1.0	-52.78	395.90	7.21	-45.57
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)C1	REAL300007722690	0	47	-1.0	-48.96	365.64	7.21	-41.75
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=C(C)C=C2OC)C1	REAL300007722691	0	49	-1.0	-55.86	377.64	6.20	-49.66
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=C(C)S2)C1	REAL300007722692	0	42	-1.0	-52.07	352.75	5.09	-46.98
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300007722693	0	40	-1.0	-51.07	332.95	2.19	-48.88
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C)S2)C1	REAL300007722694	0	38	-1.0	-52.39	327.98	3.18	-49.21
CCC1=NC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300007722695	0	41	-1.0	-50.79	346.94	3.83	-46.96
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)ON=C2N)C1	REAL300007722696	0	40	-1.0	-48.32	322.55	1.91	-46.41
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(N(C)C)N=C2)C1	REAL300007722697	0	46	-1.0	-55.43	367.35	4.50	-50.93
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=C(C)S2)C1	REAL300007722698	0	42	-1.0	-53.27	352.09	5.85	-47.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007722699	0	45	-1.0	-56.08	358.35	6.31	-49.77
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007722700	0	42	-1.0	-53.37	342.18	3.28	-50.09
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)C1	REAL300007722701	0	45	-1.0	-50.89	365.93	5.99	-44.90
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007722702	0	46	-1.0	-54.24	374.85	4.39	-49.85
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007722703	0	52	-1.0	-56.53	417.71	6.18	-50.35
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C1	REAL300007722704	0	43	-1.0	-56.78	350.09	5.11	-51.67
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007722705	0	41	-1.0	-55.89	350.89	4.72	-51.17
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)N=C2)C1	REAL300007722706	0	41	-1.0	-55.06	335.57	3.45	-51.61
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CSC(C)=N2)C1	REAL300007722707	0	41	-1.0	-54.42	346.11	3.62	-50.80
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC(OC)C2CC2)C1	REAL300007722708	0	46	-1.0	-55.68	358.40	4.76	-50.92
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007722709	0	42	-1.0	-53.60	356.27	6.45	-47.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C1	REAL300007722710	0	42	-1.0	-50.54	354.90	6.45	-44.09
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007722711	0	45	-1.0	-65.47	366.52	5.60	-59.87
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007722712	0	47	-1.0	-56.02	361.57	5.78	-50.24
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007722713	0	48	-1.0	-54.02	379.51	5.62	-48.40
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007722714	0	42	-1.0	-54.12	359.49	6.47	-47.65
CCC1(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300007722715	0	42	-1.0	-53.12	326.65	5.56	-47.56
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722716	0	52	-1.0	-52.41	409.48	7.01	-45.40
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC(OC)C2CCCC2)C1	REAL300007722717	0	52	-1.0	-53.71	388.61	5.56	-48.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC(OC)C2CCCCC2)C1	REAL300007722718	0	55	-1.0	-54.56	411.22	6.40	-48.16
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2COC(C)(C)C2)C1	REAL300007722719	0	46	-1.0	-53.16	359.22	3.96	-49.20
CCOC(CS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1)C1CC1	REAL300007722720	0	49	-1.0	-55.90	380.25	5.70	-50.20
CCC1=NC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=CN1CC1CC1	REAL300007722721	0	52	-1.0	-54.16	413.09	6.37	-47.79
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007722722	0	42	-1.0	-52.38	358.99	4.18	-48.20
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C1	REAL300007722723	0	47	-1.0	-50.55	370.19	6.43	-44.12
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C3CC3)C=NN2C)C1	REAL300007722724	0	46	-1.0	-50.64	364.99	5.29	-45.35
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C1	REAL300007722725	0	42	-1.0	-50.78	359.67	3.29	-47.49
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007722726	0	49	-1.0	-56.64	381.23	7.93	-48.71
CCC1=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C(C)C=C1OC	REAL300007722727	0	52	-1.0	-54.42	392.96	5.70	-48.72
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C1	REAL300007722728	0	41	-1.0	-58.25	343.48	3.47	-54.78
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=CC3=CC=CC=C32)C1	REAL300007722729	0	48	-1.0	-53.05	367.50	7.63	-45.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C1	REAL300007722730	0	48	-1.0	-50.67	387.65	3.17	-47.50
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(F)=C2OC)C1	REAL300007722731	0	43	-1.0	-50.89	344.50	5.24	-45.65
CCOC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1C(C)C	REAL300007722732	0	55	-1.0	-53.58	423.45	6.71	-46.87
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C1	REAL300007722733	0	51	-1.0	-49.69	397.08	6.89	-42.80
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3CCCCC3=NN2C)C1	REAL300007722734	0	49	-1.0	-50.85	373.25	4.59	-46.26
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C1	REAL300007722735	0	51	-1.0	-54.49	391.93	5.74	-48.75
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007722736	0	49	-1.0	-54.73	386.37	4.99	-49.74
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C1	REAL300007722737	0	42	-1.0	-46.29	342.05	3.13	-43.16
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC(F)=CC=C2OC)C1	REAL300007722738	0	46	-1.0	-56.25	378.95	4.91	-51.34
C=CCCC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300007722739	0	49	-1.0	-53.21	396.15	7.43	-45.78
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722740	0	45	-1.0	-52.50	352.70	3.24	-49.26
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007722741	0	43	-1.0	-52.75	366.67	6.97	-45.78
CCCOC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1CC	REAL300007722742	0	55	-1.0	-51.80	434.00	7.86	-43.94
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)C1	REAL300007722743	0	45	-1.0	-48.91	354.06	7.05	-41.86
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCCC2CC2)C1	REAL300007722744	0	45	-1.0	-53.66	355.38	5.45	-48.21
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007722745	0	43	-1.0	-52.01	364.64	6.92	-45.09
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722746	0	48	-1.0	-52.33	363.57	7.05	-45.28
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CN=C2OC)C1	REAL300007722747	0	42	-1.0	-53.97	344.56	1.99	-51.98
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007722748	0	44	-1.0	-54.04	346.02	4.63	-49.41
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C)N2C)C1	REAL300007722749	0	42	-1.0	-56.26	338.49	3.67	-52.59
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=N2)C1	REAL300007722750	0	38	-1.0	-53.28	314.65	2.72	-50.56
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)SC=C2C)C1	REAL300007722751	0	42	-1.0	-49.37	331.45	4.97	-44.40
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007722752	0	46	-1.0	-55.65	369.37	4.34	-51.31
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007722753	0	46	-1.0	-50.39	359.53	4.21	-46.18
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007722754	0	49	-1.0	-50.15	384.98	5.06	-45.09
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C1	REAL300007722755	0	50	-1.0	-56.46	395.69	2.83	-53.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007722756	0	45	-1.0	-53.24	386.38	6.25	-46.99
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007722757	0	46	-1.0	-55.73	366.00	4.85	-50.88
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=C(OC)C=C2C(C)C)C1	REAL300007722758	0	55	-1.0	-54.24	406.51	6.06	-48.18
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C1	REAL300007722759	0	49	-1.0	-55.55	383.38	5.96	-49.59
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C1	REAL300007722760	0	47	-1.0	-55.64	375.54	5.95	-49.69
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C1	REAL300007722761	0	47	-1.0	-51.98	388.20	5.01	-46.97
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3N=CC=CN3N=C2C)C1	REAL300007722762	0	44	-1.0	-61.68	359.48	4.24	-57.44
CCN1N=NC=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722763	0	41	-1.0	-51.52	324.07	1.57	-49.95
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007722764	0	48	-1.0	-51.30	363.52	5.31	-45.99
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007722765	0	40	-1.0	-51.99	332.01	4.01	-47.98
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007722766	0	42	-1.0	-52.12	357.88	6.11	-46.01
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C3CC3)=NN2C)C1	REAL300007722767	0	46	-1.0	-50.13	366.55	4.18	-45.95
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)C1	REAL300007722768	0	48	-1.0	-53.46	364.39	6.64	-46.82
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(OC)=C2OC)C1	REAL300007722769	0	47	-1.0	-53.86	370.75	5.17	-48.69
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300007722770	0	42	-1.0	-53.52	344.03	4.75	-48.77
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C1	REAL300007722771	0	52	-1.0	-54.02	402.71	5.42	-48.60
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C1	REAL300007722772	0	51	-1.0	-55.80	393.86	5.13	-50.67
CCCCN1C=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C(C)=N1	REAL300007722773	0	51	-1.0	-53.51	403.16	5.95	-47.56
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)N=C2C2CC2)C1	REAL300007722774	0	46	-1.0	-54.04	360.19	3.98	-50.06
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007722775	0	43	-1.0	-55.98	358.19	4.23	-51.75
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C1	REAL300007722776	0	44	-1.0	-59.53	364.40	3.23	-56.30
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCCC(C)(C)C2)C1	REAL300007722777	0	50	-1.0	-52.10	370.26	5.67	-46.43
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)N=C2C2CCC2)C1	REAL300007722778	0	49	-1.0	-54.18	387.06	4.96	-49.22
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)C1	REAL300007722779	0	57	-1.0	-54.10	418.22	7.96	-46.14
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007722780	0	49	-1.0	-51.29	393.29	5.31	-45.98
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007722781	0	43	-1.0	-55.12	361.15	5.91	-49.21
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(OC)C=CC3=CC=CN=C32)C1	REAL300007722782	0	48	-1.0	-65.85	383.74	5.87	-59.98
CCCC1=CC=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722783	0	48	-1.0	-52.66	383.25	6.85	-45.81
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3CCCC3=NN2C)C1	REAL300007722784	0	46	-1.0	-51.58	358.08	3.89	-47.69
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C1	REAL300007722785	0	45	-1.0	-52.32	349.53	4.31	-48.01
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=CC=C2C)C1	REAL300007722786	0	45	-1.0	-51.34	337.45	6.56	-44.78
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2C(C)(C)C)C1	REAL300007722787	0	48	-1.0	-50.01	355.31	4.61	-45.40
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C1	REAL300007722788	0	48	-1.0	-55.80	383.51	4.36	-51.44
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007722789	0	46	-1.0	-52.14	355.59	3.29	-48.85
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C1	REAL300007722790	0	44	-1.0	-48.62	369.93	4.47	-44.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007722791	0	42	-1.0	-50.89	364.05	5.71	-45.18
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=NN2C)C1	REAL300007722792	0	42	-1.0	-51.15	340.44	2.91	-48.24
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C)=C2C)C1	REAL300007722793	0	45	-1.0	-53.62	344.53	6.33	-47.29
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722794	0	50	-1.0	-55.78	403.43	6.67	-49.11
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007722795	0	50	-1.0	-54.65	386.43	7.68	-46.97
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007722796	0	45	-1.0	-52.02	356.71	5.68	-46.34
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C2CCC2)C1	REAL300007722797	0	44	-1.0	-51.53	337.57	4.38	-47.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007722798	0	46	-1.0	-59.33	368.84	3.58	-55.75
COCC1(C(=O)[O-])CCCN(C(=O)N2CCC(F)(F)CC2)C1	REAL300007722799	0	43	-1.0	-55.45	324.33	7.17	-48.28
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007722800	0	39	-1.0	-54.00	342.50	5.60	-48.40
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007722801	0	46	-1.0	-52.36	368.14	6.75	-45.61
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(OC)SC=C2)C1	REAL300007722802	0	40	-1.0	-54.41	337.42	3.17	-51.24
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007722803	0	49	-1.0	-50.13	381.37	5.79	-44.34
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722804	0	48	-1.0	-49.93	374.87	5.02	-44.91
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C(C)(C)C)C1	REAL300007722805	0	46	-1.0	-51.33	328.53	4.04	-47.29
CCC1=CC=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)O1	REAL300007722806	0	42	-1.0	-55.02	345.32	4.27	-50.75
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C2CCCCCC2)C1	REAL300007722807	0	53	-1.0	-50.30	388.85	6.25	-44.05
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C1	REAL300007722808	0	45	-1.0	-52.04	372.06	6.17	-45.87
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007722809	0	43	-1.0	-53.18	358.72	4.93	-48.25
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007722810	0	54	-1.0	-53.31	417.05	7.45	-45.86
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)S2)C1	REAL300007722811	0	40	-1.0	-51.51	342.95	3.13	-48.38
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C1	REAL300007722812	0	50	-1.0	-63.52	380.90	6.64	-56.88
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007722813	0	47	-1.0	-52.61	375.50	5.42	-47.19
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007722814	0	42	-1.0	-56.02	352.14	3.36	-52.66
CCOCC1=CC=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722815	0	49	-1.0	-53.64	395.78	5.33	-48.31
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C1	REAL300007722816	0	49	-1.0	-52.87	397.93	5.88	-46.99
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007722817	0	52	-1.0	-51.10	399.85	5.40	-45.70
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300007722818	0	42	-1.0	-53.20	331.16	5.81	-47.39
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=CC(C)=C2)C1	REAL300007722819	0	41	-1.0	-54.33	335.42	3.48	-50.85
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C1	REAL300007722820	0	48	-1.0	-55.52	373.15	7.88	-47.64
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C1	REAL300007722821	0	49	-1.0	-58.75	400.12	6.12	-52.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CC3CC2C3)C1	REAL300007722822	0	42	-1.0	-53.76	321.31	3.37	-50.39
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007722823	0	43	-1.0	-51.72	356.35	6.52	-45.20
CCOCCCS(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722824	0	45	-1.0	-54.33	356.65	3.72	-50.61
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007722825	0	44	-1.0	-61.72	359.60	-0.88	-62.60
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007722826	0	42	-1.0	-52.76	343.64	4.94	-47.82
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007722827	0	45	-1.0	-56.80	355.68	5.25	-51.55
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007722828	0	41	-1.0	-52.42	349.76	4.04	-48.38
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300007722829	0	47	-1.0	-53.61	370.58	2.39	-51.22
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2COCCO2)C1	REAL300007722830	0	44	-1.0	-55.61	345.31	1.98	-53.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)C1	REAL300007722831	0	48	-1.0	-58.51	394.40	3.57	-54.94
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007722832	0	56	-1.0	-53.73	392.78	8.10	-45.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCN2C=NN=N2)C1	REAL300007722833	0	40	-1.0	-61.83	331.80	2.50	-59.33
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CC(C)(C)CO2)C1	REAL300007722834	0	49	-1.0	-54.27	376.20	4.45	-49.82
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007722835	0	42	-1.0	-61.00	347.30	0.94	-60.06
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC(C)(C)C(C)(F)F)C1	REAL300007722836	0	47	-1.0	-53.01	354.77	5.66	-47.35
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CCCCS(C)(=O)=O)C1	REAL300007722837	0	47	-1.0	-64.22	386.26	2.01	-62.21
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCC(C)(C)CO2)C1	REAL300007722838	0	52	-1.0	-56.51	390.05	5.56	-50.95
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300007722839	0	49	-1.0	-52.71	390.02	7.67	-45.04
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007722840	0	43	-1.0	-62.72	365.38	3.70	-59.02
COCC1(C(=O)[O-])CCCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007722841	0	48	-1.0	-56.11	371.76	2.86	-53.25
COCCC1(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300007722842	0	46	-1.0	-57.07	349.03	3.79	-53.28
CCN1N=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300007722843	0	41	-1.0	-55.14	340.36	1.50	-53.64
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007722844	0	52	-1.0	-52.51	386.24	7.45	-45.06
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007722845	0	43	-1.0	-51.37	363.35	6.67	-44.70
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C(C)=CC2=CC=C(OC)C=C2)C1	REAL300007722846	0	50	-1.0	-53.07	389.58	6.18	-46.89
COCC1(C(=O)[O-])CCCN(S(=O)(=O)[C@H]2COC[C@H]2OC)C1	REAL300007722847	0	44	-1.0	-55.56	349.41	1.74	-53.82
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=CO2)C1	REAL300007722848	0	39	-1.0	-54.30	323.77	3.34	-50.96
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)O2)C1	REAL300007722849	0	39	-1.0	-55.10	323.78	3.49	-51.61
CCC1=NNC=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722850	0	42	-1.0	-52.27	332.62	2.83	-49.44
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(OC)C(OC)=CS2)C1	REAL300007722851	0	44	-1.0	-55.24	369.31	4.08	-51.16
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007722852	0	51	-1.0	-52.38	374.90	5.09	-47.29
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)CCC2=CC=CC=C2)C1	REAL300007722853	0	50	-1.0	-52.74	398.49	6.57	-46.17
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(F)C=C(OC)C=C2F)C1	REAL300007722854	0	43	-1.0	-54.56	355.28	4.79	-49.77
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007722855	0	43	-1.0	-57.13	361.98	4.21	-52.92
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3C=CC=CC3=NN2C)C1	REAL300007722856	0	45	-1.0	-52.35	361.69	5.23	-47.12
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C1	REAL300007722857	0	46	-1.0	-57.50	372.10	6.40	-51.10
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C1	REAL300007722858	0	45	-1.0	-61.16	359.83	7.27	-53.89
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300007722859	0	50	-1.0	-52.58	402.53	6.26	-46.32
CCN1C=C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007722860	0	49	-1.0	-53.70	381.66	4.83	-48.87
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C1	REAL300007722861	0	43	-1.0	-53.54	352.76	4.45	-49.09
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007722862	0	45	-1.0	-52.91	381.45	7.42	-45.49
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007722863	0	38	-1.0	-48.17	346.39	2.62	-45.55
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=NN2C2CCCC2)C1	REAL300007722864	0	52	-1.0	-53.08	407.39	6.50	-46.58
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(Cl)OC=C2)C1	REAL300007722865	0	36	-1.0	-51.31	317.72	3.23	-48.08
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007722866	0	36	-1.0	-50.64	328.25	4.86	-45.78
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007722867	0	45	-1.0	-57.34	373.83	7.31	-50.03
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3COCCC3=NN2C)C1	REAL300007722868	0	47	-1.0	-52.93	363.03	2.10	-50.83
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007722869	0	46	-1.0	-54.06	354.78	6.43	-47.63
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300007722870	0	50	-1.0	-50.98	372.39	5.39	-45.59
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CN=C2OC)C1	REAL300007722871	0	42	-1.0	-51.48	358.53	3.03	-48.45
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(OC)C(C)=C2)C1	REAL300007722872	0	45	-1.0	-50.76	366.36	2.07	-48.69
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC(C)C)N=C2)C1	REAL300007722873	0	48	-1.0	-55.88	388.03	4.91	-50.97
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C(C)C)N=C2C)C1	REAL300007722874	0	48	-1.0	-53.54	380.68	4.23	-49.31
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007722875	0	49	-1.0	-54.09	376.15	2.62	-51.47
COCC1=CC(CS(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=NO1	REAL300007722876	0	45	-1.0	-61.77	375.48	2.67	-59.10
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)C1	REAL300007722877	0	50	-1.0	-57.37	391.65	5.02	-52.35
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2C(C)C)C1	REAL300007722878	0	45	-1.0	-50.27	356.59	4.39	-45.88
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300007722879	0	46	-1.0	-49.60	361.62	4.67	-44.93
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007722880	0	46	-1.0	-53.80	369.33	6.11	-47.69
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300007722881	0	41	-1.0	-53.33	348.77	3.63	-49.70
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300007722882	0	44	-1.0	-54.33	349.26	5.59	-48.74
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C1	REAL300007722883	0	48	-1.0	-56.78	380.45	5.02	-51.76
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300007722884	0	44	-1.0	-59.00	359.05	5.22	-53.78
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=NC=C(C)C=C2C)C1	REAL300007722885	0	44	-1.0	-52.34	343.58	3.91	-48.43
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NC=C2C)C1	REAL300007722886	0	41	-1.0	-52.23	325.97	3.45	-48.78
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300007722887	0	42	-1.0	-50.76	350.84	5.05	-45.71
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)C1	REAL300007722888	0	47	-1.0	-62.70	379.28	0.58	-62.12
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300007722889	0	46	-1.0	-51.08	342.96	3.04	-48.04
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C#N)CC2)C1	REAL300007722890	0	45	-1.0	-56.29	358.26	4.79	-51.50
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(OC)=CC=N2)C1	REAL300007722891	0	42	-1.0	-55.28	343.85	2.01	-53.27
C=CCN(CC=C)S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722892	0	45	-1.0	-51.18	366.40	4.88	-46.30
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C=C2C(F)F)C1	REAL300007722893	0	46	-1.0	-54.72	362.73	4.84	-49.88
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC)C=N2)C1	REAL300007722894	0	42	-1.0	-52.12	344.10	1.97	-50.15
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=NC=CC=C2C)C1	REAL300007722895	0	41	-1.0	-58.86	324.97	3.34	-55.52
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300007722896	0	44	-1.0	-53.78	351.00	5.46	-48.32
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300007722897	0	45	-1.0	-60.96	364.36	4.64	-56.32
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C1	REAL300007722898	0	47	-1.0	-59.21	373.57	6.78	-52.43
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NC(C)=C2)C1	REAL300007722899	0	41	-1.0	-51.61	336.24	4.19	-47.42
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300007722900	0	43	-1.0	-54.60	347.64	4.42	-50.18
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(F)(F)C2)C1	REAL300007722901	0	41	-1.0	-51.34	337.95	3.23	-48.11
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=CS2)C1	REAL300007722902	0	35	-1.0	-52.86	305.74	1.78	-51.08
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300007722903	0	41	-1.0	-55.29	347.22	3.61	-51.68
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C1	REAL300007722904	0	52	-1.0	-55.50	398.45	6.56	-48.94
C=CCCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007722905	0	37	-1.0	-48.95	331.10	4.79	-44.16
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300007722906	0	44	-1.0	-53.22	368.49	6.91	-46.31
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007722907	0	29	-1.0	-51.00	299.56	3.98	-47.02
C=CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007722908	0	39	-1.0	-44.35	323.85	4.84	-39.51
C=CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007722909	0	35	-1.0	-40.24	323.07	5.84	-34.40
C=CCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007722910	0	36	-1.0	-44.00	335.34	4.68	-39.32
C=CCCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007722911	0	38	-1.0	-58.83	350.26	1.87	-56.96
C=CCCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007722912	0	36	-1.0	-49.39	335.81	4.13	-45.26
C=CCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007722913	0	43	-1.0	-56.19	360.51	4.35	-51.84
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007722914	0	35	-1.0	-39.07	316.44	5.67	-33.40
C=CCCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007722915	0	43	-1.0	-52.47	338.88	4.53	-47.94
C=CCCC(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007722916	0	38	-1.0	-54.78	324.10	3.31	-51.47
C=CCCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007722917	0	48	-1.0	-52.70	391.46	8.15	-44.55
C=CCCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007722918	0	38	-1.0	-56.02	334.30	3.49	-52.53
C=CCCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007722919	0	32	-1.0	-53.95	303.94	4.99	-48.96
C=CCCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007722920	0	32	-1.0	-41.35	311.90	5.02	-36.33
C=CCCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007722921	0	37	-1.0	-48.45	323.34	6.70	-41.75
C=CCCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007722922	0	38	-1.0	-40.94	347.84	6.33	-34.61
C=CCCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007722923	0	42	-1.0	-45.58	372.40	0.94	-44.64
C=CCCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007722924	0	43	-1.0	-51.83	372.17	6.19	-45.64
C=CCCC(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007722925	0	35	-1.0	-42.59	316.18	5.10	-37.49
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007722926	0	38	-1.0	-53.04	336.35	4.86	-48.18
C=CCCC(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007722927	0	39	-1.0	-54.23	344.88	4.05	-50.18
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300007722928	0	38	-1.0	-42.09	337.39	2.00	-40.09
C=CCCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007722929	0	41	-1.0	-66.07	374.62	2.55	-63.52
C=CCCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007722930	0	37	-1.0	-47.80	334.83	0.35	-47.45
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007722931	0	42	-1.0	-54.30	347.53	5.08	-49.22
C=CCCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007722932	0	37	-1.0	-45.75	347.00	4.84	-40.91
C=CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007722933	0	35	-1.0	-55.19	334.49	5.67	-49.52
C=CCCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007722934	0	37	-1.0	-47.19	331.58	4.78	-42.41
C=CCCC(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007722935	0	41	-1.0	-52.40	329.85	2.13	-50.27
C=CCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007722936	0	41	-1.0	-56.71	361.48	5.62	-51.09
C=CCCC(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300007722937	0	41	-1.0	-50.89	346.75	4.17	-46.72
C=CCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007722938	0	38	-1.0	-45.37	335.37	3.49	-41.88
C=CCCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007722939	0	41	-1.0	-62.01	355.34	5.63	-56.38
C=CCCC(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007722940	0	38	-1.0	-61.52	336.24	4.77	-56.75
C=CCCC(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007722941	0	38	-1.0	-51.82	334.41	2.85	-48.97
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007722942	0	44	-1.0	-44.54	336.44	7.10	-37.44
C=CCCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007722943	0	45	-1.0	-58.23	391.97	7.21	-51.02
C=CCCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007722944	0	40	-1.0	-68.43	356.23	3.72	-64.71
C=CCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007722945	0	40	-1.0	-52.42	359.43	4.07	-48.35
C=CCCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007722946	0	35	-1.0	-53.55	329.05	5.53	-48.02
C=CCCC(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007722947	0	35	-1.0	-41.99	307.29	5.23	-36.76
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007722948	0	38	-1.0	-52.53	343.32	7.05	-45.48
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007722949	0	37	-1.0	-38.74	338.47	6.46	-32.28
C=CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007722950	0	36	-1.0	-51.51	335.01	3.99	-47.52
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007722951	0	39	-1.0	-44.11	339.39	6.04	-38.07
C=CCCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007722952	0	47	-1.0	-54.59	385.99	5.71	-48.88
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007722953	0	35	-1.0	-52.54	321.78	5.22	-47.32
C=CCCC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007722954	0	43	-1.0	-46.07	355.89	4.20	-41.87
C=CCCC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007723001	0	35	-1.0	-41.59	321.33	4.91	-36.68
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007723002	0	47	-1.0	-56.98	403.54	4.76	-52.22
C=CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007723003	0	44	-1.0	-48.81	377.66	4.78	-44.03
C=CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007723004	0	41	-1.0	-53.18	372.77	2.82	-50.36
C=CCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007723005	0	42	-1.0	-46.98	361.51	2.00	-44.98
C=CCCC(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007723006	0	41	-1.0	-43.58	348.03	6.24	-37.34
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300007723007	0	39	-1.0	-50.35	361.31	5.24	-45.11
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007723008	0	46	-1.0	-48.66	398.72	7.46	-41.20
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007723009	0	36	-1.0	-39.61	326.10	4.89	-34.72
C=CCCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007723010	0	39	-1.0	-44.80	355.80	4.91	-39.89
C=CCCC(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007723011	0	41	-1.0	-42.40	336.56	2.64	-39.76
C=CCCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007723012	0	46	-1.0	-46.85	403.61	6.35	-40.50
C=CCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007723013	0	39	-1.0	-56.81	357.27	5.40	-51.41
C=CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007723014	0	44	-1.0	-46.33	381.33	5.95	-40.38
C=CCCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007723015	0	39	-1.0	-46.43	349.71	-0.93	-47.36
C=CCCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007723016	0	38	-1.0	-47.36	344.30	5.68	-41.68
C=CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007723017	0	35	-1.0	-42.34	343.99	6.34	-36.00
C=CCCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007723018	0	38	-1.0	-43.29	353.09	7.13	-36.16
C=CCCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300007723019	0	35	-1.0	-51.99	342.51	6.19	-45.80
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007723020	0	38	-1.0	-57.15	345.71	7.10	-50.05
C=CCCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007723021	0	38	-1.0	-55.18	350.83	6.13	-49.05
C=CCCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007723022	0	43	-1.0	-43.86	367.00	5.65	-38.21
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007723023	0	46	-1.0	-41.13	385.00	7.89	-33.24
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007723024	0	45	-1.0	-57.20	396.98	5.92	-51.28
C=CCCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007723025	0	43	-1.0	-45.06	385.86	1.38	-43.68
C=CCCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007723026	0	41	-1.0	-45.65	359.15	7.36	-38.29
C=CCCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007723027	0	43	-1.0	-52.39	364.47	5.01	-47.38
C=CCCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007723028	0	38	-1.0	-44.40	350.63	6.31	-38.09
C=CCCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007723029	0	37	-1.0	-58.03	321.13	1.39	-56.64
C=CCCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007723030	0	45	-1.0	-42.64	370.59	4.79	-37.85
C=CCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007723031	0	39	-1.0	-55.06	346.39	4.86	-50.20
C=CCCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007723032	0	41	-1.0	-51.74	373.63	2.59	-49.15
C=CCCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007723033	0	36	-1.0	-50.29	344.99	5.79	-44.50
C=CCCC(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300007723034	0	44	-1.0	-51.49	362.35	4.80	-46.69
C=CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007723035	0	40	-1.0	-45.79	359.51	2.94	-42.85
C=CCCC(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300007723036	0	39	-1.0	-46.44	351.85	2.11	-44.33
C=CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007723037	0	43	-1.0	-48.93	386.35	4.16	-44.77
C=CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007723038	0	37	-1.0	-45.46	334.98	3.55	-41.91
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007723039	0	38	-1.0	-52.19	356.72	7.23	-44.96
C=CCCC(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300007723040	0	50	-1.0	-42.48	388.19	8.66	-33.82
C=CCCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007723041	0	39	-1.0	-54.65	336.39	4.45	-50.20
C=CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007723042	0	38	-1.0	-40.98	359.22	2.49	-38.49
C=CCCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007723043	0	41	-1.0	-44.67	352.63	8.05	-36.62
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007723044	0	39	-1.0	-51.18	336.10	4.50	-46.68
C=CCCC(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007723045	0	44	-1.0	-55.82	339.27	5.83	-49.99
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007723046	0	41	-1.0	-45.23	352.11	5.82	-39.41
C=CCCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007723047	0	50	0.0	-84.70	403.86	5.47	-79.23
C=CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007723048	0	40	-1.0	-46.37	357.80	5.66	-40.71
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007723049	0	39	-1.0	-41.68	360.15	4.60	-37.08
C=CCCC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007723050	0	38	-1.0	-56.40	339.93	5.75	-50.65
C=CCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007723051	0	44	0.0	-83.75	368.24	6.23	-77.52
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007723052	0	32	-1.0	-39.00	320.92	4.57	-34.43
C=CCCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007723053	0	45	-1.0	-41.93	374.60	7.62	-34.31
C=CCCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007723054	0	43	-1.0	-56.05	371.31	5.06	-50.99
C=CCCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007723055	0	41	-1.0	-65.73	350.58	1.51	-64.22
C=CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007723056	0	35	-1.0	-52.92	327.22	4.83	-48.09
C=CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007723056	1	34	-2.0	-127.12	317.30	5.21	-121.91
C=CCCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007723057	0	37	-1.0	-55.16	338.21	3.56	-51.60
C=CCCC(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007723058	0	42	-1.0	-41.21	330.52	5.79	-35.42
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007723059	0	44	-1.0	-45.83	374.46	6.09	-39.74
C=CCCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007723060	0	43	-1.0	-54.42	359.09	1.44	-52.98
C=CCCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007723061	0	41	-1.0	-53.54	342.80	5.51	-48.03
C=CCCC(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007723062	0	39	-1.0	-54.93	341.48	6.48	-48.45
C=CCCC(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007723063	0	40	-1.0	-59.17	352.21	6.16	-53.01
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007723064	0	32	-1.0	-50.19	306.32	4.87	-45.32
C=CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007723065	0	32	-1.0	-50.08	310.89	4.97	-45.11
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007723066	0	34	-1.0	-49.05	317.80	5.02	-44.03
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007723067	0	38	-1.0	-45.89	334.31	6.65	-39.24
C=CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007723068	0	34	-1.0	-41.55	318.48	5.10	-36.45
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007723069	0	37	-1.0	-40.58	327.83	5.82	-34.76
C=CCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723070	0	34	-1.0	-59.46	304.21	5.82	-53.64
C=CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300007723071	0	39	-1.0	-40.35	341.44	5.89	-34.46
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007723072	0	39	-1.0	-52.50	341.16	4.55	-47.95
C=CCCC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007723073	0	44	-1.0	-43.40	348.45	7.00	-36.40
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007723074	0	41	-1.0	-42.63	336.20	6.60	-36.03
C=CCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007723075	0	47	-1.0	-43.22	377.99	7.53	-35.69
C=CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007723076	0	35	-1.0	-40.55	328.99	5.43	-35.12
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007723077	0	35	-1.0	-58.98	307.51	5.07	-53.91
C=CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007723078	0	32	-1.0	-41.38	307.34	4.92	-36.46
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007723079	0	37	-1.0	-53.11	331.06	4.73	-48.38
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007723080	0	38	-1.0	-60.36	345.30	5.07	-55.29
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007723081	0	44	-1.0	-52.98	365.81	6.67	-46.31
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007723082	0	41	-1.0	-53.13	349.80	6.28	-46.85
C=CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007723083	0	43	-1.0	-55.30	385.40	2.32	-52.98
C=CCCC(NS(=O)(=O)C1=CC=C(CCC)C=C1)C(=O)[O-]	REAL300007723084	0	41	-1.0	-53.16	353.98	6.57	-46.59
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007723085	0	36	-1.0	-50.86	339.69	4.29	-46.57
C=CCCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007723086	0	35	-1.0	-50.39	329.31	5.52	-44.87
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007723087	0	46	-1.0	-51.91	399.69	7.87	-44.04
C=CCCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007723088	0	36	-1.0	-50.48	335.57	4.14	-46.34
C=CCCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007723089	0	47	-1.0	-53.60	363.57	7.41	-46.19
C=CCCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007723090	0	41	-1.0	-52.57	352.36	4.29	-48.28
C=CCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007723091	0	48	-1.0	-44.09	377.03	6.81	-37.28
C=CCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007723092	0	37	-1.0	-59.29	334.00	5.51	-53.78
C=CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007723093	0	36	-1.0	-40.59	323.73	4.80	-35.79
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007723094	0	50	-1.0	-43.22	390.04	8.16	-35.06
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007723095	0	35	-1.0	-49.91	328.53	5.33	-44.58
C=CCCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007723096	0	42	-1.0	-53.73	352.56	6.83	-46.90
C=CCCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007723097	0	40	-1.0	-44.61	332.07	3.49	-41.12
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007723098	0	40	-1.0	-53.01	348.51	3.53	-49.48
C=CCCC(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007723099	0	39	-1.0	-46.33	336.16	6.32	-40.01
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007723100	0	40	-1.0	-44.02	339.03	6.68	-37.34
C=CCCC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007723101	0	37	-1.0	-52.92	325.50	4.20	-48.72
C=CCCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007723102	0	47	-1.0	-53.40	393.29	7.83	-45.57
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300007723103	0	46	-1.0	-52.38	391.98	5.39	-46.99
C=CCCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007723104	0	37	-1.0	-56.46	343.78	-0.69	-57.15
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007723105	0	40	-1.0	-58.12	347.02	6.38	-51.74
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007723106	0	40	-1.0	-60.96	350.84	5.76	-55.20
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723107	0	38	-1.0	-47.51	330.84	5.05	-42.46
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007723108	0	36	-1.0	-40.61	317.39	5.01	-35.60
C=CCCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007723109	0	37	-1.0	-49.71	344.85	-0.65	-50.36
C=CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007723110	0	44	-1.0	-48.43	397.37	2.21	-46.22
C=CCCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007723111	0	40	-1.0	-55.30	355.40	5.85	-49.45
C=CCCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007723112	0	41	-1.0	-51.54	336.64	5.27	-46.27
C=CCCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007723113	0	40	-1.0	-54.80	344.10	5.55	-49.25
C=CCCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723114	0	40	-1.0	-58.16	343.42	7.02	-51.14
C=CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007723115	0	43	-1.0	-49.02	385.83	2.43	-46.59
C=CCCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007723116	0	44	-1.0	-66.07	376.30	3.70	-62.37
C=CCCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007723117	0	38	-1.0	-58.76	350.51	1.86	-56.90
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007723118	0	42	-1.0	-55.92	352.37	8.11	-47.81
C=CCCC(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300007723119	0	43	-1.0	-41.95	346.00	4.97	-36.98
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007723120	0	38	-1.0	-47.64	331.25	6.75	-40.89
C=CCCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007723121	0	42	-1.0	-54.18	363.99	7.74	-46.44
C=CCCC(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007723122	0	35	-1.0	-40.63	308.17	5.28	-35.35
C=CCCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007723123	0	46	-1.0	-54.75	382.38	6.46	-48.29
C=CCCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007723124	0	33	-1.0	-46.91	300.20	2.81	-44.10
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007723125	0	36	-1.0	-40.34	317.45	4.99	-35.35
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300007723126	0	47	-1.0	-52.99	380.03	7.14	-45.85
C=CCCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007723127	0	35	-1.0	-53.57	325.01	5.45	-48.12
C=CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007723128	0	42	-1.0	-52.42	359.05	5.18	-47.24
C=CCCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007723129	0	33	-1.0	-63.46	299.67	3.20	-60.26
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723130	0	37	-1.0	-43.04	340.78	6.76	-36.28
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007723131	0	37	-1.0	-52.06	330.55	5.05	-47.01
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007723132	0	43	-1.0	-54.21	395.32	7.72	-46.49
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007723133	0	38	-1.0	-39.80	330.57	4.86	-34.94
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007723134	0	36	-1.0	-50.76	325.26	3.72	-47.04
C=CCCC(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007723135	0	35	-1.0	-54.56	316.51	5.03	-49.53
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007723136	0	43	-1.0	-51.01	394.99	7.71	-43.30
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007723137	0	47	-1.0	-52.49	408.00	6.47	-46.02
C=CCCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007723138	0	59	-1.0	-42.99	446.12	10.30	-32.69
C=CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007723139	0	48	-1.0	-55.43	396.92	7.56	-47.87
C=CCCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007723140	0	35	-1.0	-38.92	341.53	6.01	-32.91
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007723141	0	42	-1.0	-56.05	357.51	5.99	-50.06
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007723142	0	37	-1.0	-38.39	327.94	5.82	-32.57
C=CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007723143	0	37	-1.0	-42.45	322.30	5.64	-36.81
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300007723144	0	40	-1.0	-40.78	346.28	6.73	-34.05
C=CCCC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007723145	0	44	-1.0	-53.54	371.02	7.01	-46.53
C=CCCC(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007723146	0	42	-1.0	-53.65	366.40	4.84	-48.81
C=CCCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300007723147	0	44	-1.0	-42.47	361.18	1.68	-40.79
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007723148	0	35	-1.0	-40.26	318.51	5.74	-34.52
C=CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007723149	0	42	-1.0	-44.64	361.93	5.25	-39.39
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007723150	0	48	-1.0	-52.78	401.70	6.66	-46.12
C=CCCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007723151	0	46	-1.0	-52.06	384.45	6.54	-45.52
C=CCCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007723152	0	45	-1.0	-52.97	382.73	6.05	-46.92
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300007723153	0	42	-1.0	-52.97	362.63	5.36	-47.61
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007723154	0	36	-1.0	-50.83	335.30	4.18	-46.65
C=CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007723155	0	36	-1.0	-51.89	345.06	4.45	-47.44
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007723156	0	39	-1.0	-52.94	339.35	4.36	-48.58
C=CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007723157	0	45	-1.0	-52.36	378.88	5.94	-46.42
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007723158	0	39	-1.0	-42.67	328.55	4.44	-38.23
C=CCCC(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007723159	0	43	-1.0	-55.54	374.76	3.83	-51.71
C=CCCC(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007723160	0	35	-1.0	-56.70	318.50	5.08	-51.62
C=CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007723161	0	35	-1.0	-39.11	321.01	5.77	-33.34
C=CCCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007723162	0	40	-1.0	-48.49	336.03	7.15	-41.34
C=CCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007723163	0	41	-1.0	-52.74	362.51	2.74	-50.00
C=CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007723164	0	44	-1.0	-55.12	398.81	2.18	-52.94
C=CCCC(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300007723165	0	34	-1.0	-42.77	313.57	2.96	-39.81
C=CCCC(NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300007723166	0	35	-1.0	-53.20	325.71	5.69	-47.51
C=CCCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007723167	0	36	-1.0	-50.09	325.50	3.70	-46.39
C=CCCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007723168	0	42	-1.0	-54.33	364.03	7.75	-46.58
C=CCCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007723169	0	35	-1.0	-54.50	346.61	6.06	-48.44
C=CCCC(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007723170	0	38	-1.0	-45.53	367.80	4.94	-40.59
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007723171	0	52	-1.0	-51.76	424.15	7.97	-43.79
C=CCCC(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300007723172	0	40	-1.0	-55.22	354.34	2.02	-53.20
C=CCCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007723173	0	42	-1.0	-44.50	345.73	5.19	-39.31
C=CCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007723174	0	43	-1.0	-46.81	372.57	8.48	-38.33
C=CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007723175	0	42	-1.0	-55.14	351.48	5.18	-49.96
C=CCCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007723176	0	40	-1.0	-54.69	335.70	5.56	-49.13
C=CCCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007723177	0	37	-1.0	-46.06	321.51	4.79	-41.27
C=CCCC(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723178	0	37	-1.0	-54.60	340.97	5.27	-49.33
C=CCCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723178	1	36	-2.0	-132.27	331.46	5.64	-126.63
C=CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007723179	0	39	-1.0	-53.21	360.73	5.01	-48.20
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007723180	0	46	-1.0	-53.51	401.06	7.61	-45.90
C=CCCC(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300007723181	0	40	-1.0	-58.52	352.65	5.61	-52.91
C=CCCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007723182	0	42	-1.0	-45.12	374.33	5.93	-39.19
C=CCCC(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007723183	0	35	-1.0	-71.19	318.99	3.59	-67.60
C=CCCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300007723184	0	54	-1.0	-42.92	423.55	7.23	-35.69
C=CCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007723185	0	40	-1.0	-57.34	366.64	0.97	-56.37
C=CCCC(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007723186	0	35	-1.0	-43.16	319.35	5.15	-38.01
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300007723187	0	45	-1.0	-55.67	379.08	6.87	-48.80
C=CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300007723188	0	42	-1.0	-44.48	344.03	5.70	-38.78
C=CCCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007723189	0	37	-1.0	-60.83	338.09	4.51	-56.32
C=CCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007723190	0	39	-1.0	-48.24	348.92	5.49	-42.75
C=CCCC(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300007723191	0	46	-1.0	-55.57	396.61	4.79	-50.78
C=CCCC(NS(=O)(=O)C1=CC=C(OCCCCC)C=C1)C(=O)[O-]	REAL300007723192	0	48	-1.0	-52.92	405.63	6.92	-46.00
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007723193	0	42	-1.0	-44.02	340.87	6.91	-37.11
C=CCCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007723194	0	36	-1.0	-51.57	346.20	5.79	-45.78
C=CCCC(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007723195	0	37	-1.0	-43.80	326.60	3.71	-40.09
C=CCCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007723196	0	40	-1.0	-53.41	352.83	5.61	-47.80
C=CCCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007723197	0	37	-1.0	-58.91	338.08	4.50	-54.41
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300007723198	0	42	-1.0	-42.63	350.38	5.36	-37.27
C=CCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007723199	0	36	-1.0	-55.82	327.81	4.48	-51.34
C=CCCC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007723200	0	36	-1.0	-52.01	329.78	5.37	-46.64
C=CCCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007723201	0	38	-1.0	-42.90	352.00	6.10	-36.80
C=CCCC(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300007723202	0	43	-1.0	-42.03	359.78	6.16	-35.87
C=CCCC(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300007723203	0	38	-1.0	-50.62	336.16	4.20	-46.42
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007723204	0	38	-1.0	-46.84	331.83	4.06	-42.78
C=CCCC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007723205	0	37	-1.0	-47.34	327.01	4.85	-42.49
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007723206	0	44	-1.0	-45.81	378.30	6.25	-39.56
C=CCCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007723207	0	38	-1.0	-54.67	344.22	5.83	-48.84
C=CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007723208	0	38	-1.0	-46.81	363.45	5.15	-41.66
C=CCCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007723209	0	41	-1.0	-56.08	354.40	5.94	-50.14
C=CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007723210	0	40	-1.0	-50.68	356.15	4.04	-46.64
C=CCCC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300007723211	0	39	-1.0	-43.89	345.33	4.15	-39.74
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007723212	0	43	-1.0	-62.53	361.07	5.80	-56.73
C=CCCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007723213	0	35	-1.0	-55.71	327.01	5.48	-50.23
C=CCCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007723214	0	40	-1.0	-56.34	348.88	4.99	-51.35
C=CCCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007723215	0	35	-1.0	-46.38	339.85	5.98	-40.40
C=CCCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007723216	0	40	-1.0	-52.80	346.60	4.96	-47.84
C=CCCC(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300007723217	0	44	-1.0	-41.21	340.96	7.34	-33.87
C=CCCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007723218	0	44	-1.0	-59.15	375.07	3.23	-55.92
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007723219	0	43	-1.0	-52.76	395.23	7.69	-45.07
C=CCCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007723220	0	38	-1.0	-47.78	339.32	5.64	-42.14
C=CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007723221	0	38	-1.0	-45.38	371.50	5.54	-39.84
C=CCCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007723222	0	41	-1.0	-55.41	366.20	3.39	-52.02
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007723223	0	35	-1.0	-46.15	325.06	3.21	-42.94
C=CCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007723223	1	34	-2.0	-127.38	319.93	3.61	-123.77
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007723224	0	35	-1.0	-51.01	320.38	4.78	-46.23
C=CCCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007723224	1	34	-2.0	-135.17	312.83	5.08	-130.09
C=CCCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007723225	0	35	-1.0	-44.65	316.66	3.07	-41.58
C=CCCC(NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300007723226	0	35	-1.0	-42.83	315.53	1.07	-41.76
C=CCCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007723227	0	40	-1.0	-53.38	343.54	4.96	-48.42
C=CCCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007723228	0	42	-1.0	-52.07	372.55	6.14	-45.93
C=CCCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007723229	0	40	-1.0	-53.35	363.37	5.46	-47.89
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007723230	0	37	-1.0	-48.96	333.76	5.53	-43.43
C=CCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007723231	0	43	-1.0	-58.50	378.38	5.10	-53.40
C=CCCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007723232	0	34	-1.0	-47.50	322.61	3.89	-43.61
C=CCCC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007723233	0	40	-1.0	-55.39	341.33	4.74	-50.65
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007723234	0	41	-1.0	-54.44	356.82	7.28	-47.16
C=CCCC(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300007723235	0	33	-1.0	-59.39	300.53	2.63	-56.76
C=CCCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007723236	0	40	-1.0	-54.66	340.93	4.70	-49.96
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007723237	0	37	-1.0	-49.11	326.91	4.21	-44.90
C=CCCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007723238	0	37	-1.0	-57.64	336.79	4.37	-53.27
C=CCCC(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007723239	0	37	-1.0	-46.12	326.41	4.23	-41.89
C=CCCC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007723240	0	38	-1.0	-54.91	351.67	6.33	-48.58
C=CCCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007723241	0	44	-1.0	-54.20	364.01	4.88	-49.32
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007723242	0	34	-1.0	-42.30	325.34	3.64	-38.66
C=CCCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007723243	0	40	-1.0	-62.13	341.82	4.91	-57.22
C=CCCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007723244	0	40	-1.0	-49.48	346.35	6.34	-43.14
C=CCCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723245	0	40	-1.0	-50.77	341.24	7.28	-43.49
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007723246	0	40	-1.0	-42.69	347.15	6.29	-36.40
C=CCCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007723247	0	42	-1.0	-55.97	364.20	5.14	-50.83
C=CCCC(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300007723248	0	35	-1.0	-52.11	314.51	1.79	-50.32
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007723249	0	41	-1.0	-43.52	361.34	6.03	-37.49
C=CCCC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007723250	0	39	-1.0	-44.43	339.83	6.50	-37.93
C=CCCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007723251	0	40	-1.0	-46.86	347.33	2.97	-43.89
C=CCCC(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007723252	0	44	-1.0	-41.70	355.21	6.03	-35.67
C=CCCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007723253	0	38	-1.0	-55.44	328.22	3.83	-51.61
C=CCCC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007723254	0	35	-1.0	-57.54	318.51	4.71	-52.83
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007723255	0	36	-1.0	-50.03	335.31	4.18	-45.85
C=CCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007723256	0	40	-1.0	-61.43	338.47	5.91	-55.52
C=CCCC(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300007723257	0	44	-1.0	-54.22	366.61	6.91	-47.31
C=CCCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007723258	0	40	-1.0	-39.09	342.83	6.59	-32.50
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007723259	0	42	-1.0	-47.95	349.29	5.97	-41.98
C=CCCC(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300007723260	0	35	-1.0	-54.32	323.51	4.74	-49.58
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007723261	0	33	-1.0	-40.32	312.45	2.29	-38.03
C=CCCC(NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300007723262	0	34	-1.0	-50.78	320.52	2.97	-47.81
C=CCCC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007723263	0	39	-1.0	-47.90	340.52	4.24	-43.66
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300007723264	0	35	-1.0	-44.20	320.22	5.03	-39.17
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007723265	0	38	-1.0	-48.12	333.34	6.15	-41.97
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007723266	0	35	-1.0	-47.95	316.13	3.02	-44.93
C=CCCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007723267	0	38	-1.0	-41.08	335.38	5.70	-35.38
C=CCCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007723268	0	39	-1.0	-48.85	344.35	4.12	-44.73
C=CCCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007723269	0	34	-1.0	-58.70	321.39	3.87	-54.83
C=CCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007723270	0	35	-1.0	-55.33	329.93	5.57	-49.76
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007723271	0	35	-1.0	-50.45	325.28	5.42	-45.03
C=CCCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007723272	0	38	-1.0	-51.06	336.47	5.35	-45.71
C=CCCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007723273	0	41	-1.0	-54.07	375.79	5.82	-48.25
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007723274	0	40	-1.0	-48.22	341.65	5.58	-42.64
C=CCCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007723275	0	39	-1.0	-47.24	353.46	2.22	-45.02
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007723276	0	41	-1.0	-50.84	352.27	4.77	-46.07
C=CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007723277	0	35	-1.0	-41.71	329.48	5.55	-36.16
C=CCCC(NS(=O)(=O)C1=CC=C(OCCCCCCCC)C=C1)C(=O)[O-]	REAL300007723278	0	57	-1.0	-52.81	470.12	9.26	-43.55
C=CCCC(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300007723279	0	45	-1.0	-45.25	380.29	6.09	-39.16
C=CCCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007723280	0	45	-1.0	-54.94	366.82	4.62	-50.32
C=CCCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007723281	0	48	-1.0	-55.51	381.37	5.34	-50.17
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007723282	0	46	-1.0	-51.67	407.26	7.68	-43.99
C=CCCC(NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300007723283	0	42	-1.0	-57.41	353.52	4.63	-52.78
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007723284	0	51	-1.0	-53.47	421.26	7.38	-46.09
C=CCCC(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300007723285	0	45	-1.0	-56.14	379.14	6.69	-49.45
C=CCCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007723286	0	35	-1.0	-43.96	330.36	3.92	-40.04
C=CCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007723287	0	40	-1.0	-50.31	350.26	6.71	-43.60
C=CCCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007723288	0	39	-1.0	-50.39	333.82	4.11	-46.28
C=CCCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007723289	0	45	-1.0	-52.30	383.35	6.27	-46.03
C=CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007723290	0	35	-1.0	-41.18	328.95	3.00	-38.18
C=CCCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007723291	0	43	-1.0	-45.10	391.20	8.50	-36.60
C=CCCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007723292	0	42	-1.0	-58.17	354.70	7.70	-50.47
C=CCCC(NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300007723293	0	45	-1.0	-55.27	373.10	5.92	-49.35
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007723294	0	38	-1.0	-49.69	361.03	6.20	-43.49
C=CCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723295	0	33	-2.0	-149.96	311.41	3.61	-146.35
C=CCCC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723295	1	34	-1.0	-60.90	318.13	3.36	-57.54
C=CCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007723296	0	41	-1.0	-47.31	338.52	7.43	-39.88
C=CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007723297	0	41	-1.0	-42.59	357.52	2.93	-39.66
C=CCCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007723298	0	36	-1.0	-51.75	323.46	4.49	-47.26
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007723299	0	48	-1.0	-53.64	399.52	6.60	-47.04
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007723300	0	44	-1.0	-53.52	367.77	6.60	-46.92
C=CCCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007723301	0	51	-1.0	-56.20	415.05	8.85	-47.35
C=CCCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007723302	0	42	-1.0	-49.97	345.88	4.40	-45.57
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007723303	0	44	-1.0	-56.39	354.87	4.45	-51.94
C=CCCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007723304	0	42	-1.0	-47.99	358.01	4.76	-43.23
C=CCCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007723305	0	35	-1.0	-45.12	320.16	3.14	-41.98
C=CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007723306	0	39	-1.0	-45.27	344.19	4.47	-40.80
C=CCCC1=CC=C(S(=O)(=O)NC(CCC=C)C(=O)[O-])C=C1	REAL300007723307	0	42	-1.0	-53.07	366.80	7.13	-45.94
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1CC)C(=O)[O-]	REAL300007723308	0	38	-1.0	-47.96	327.53	3.22	-44.74
C=CCCC(NS(=O)(=O)C1=CC=C(OCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007723309	0	54	-1.0	-51.70	442.52	8.18	-43.52
C=CCCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007723310	0	36	-1.0	-42.08	336.99	6.09	-35.99
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)(C)C)=C1)C(=O)[O-]	REAL300007723311	0	54	-1.0	-53.51	433.59	8.05	-45.46
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC)C(CC)=C1)C(=O)[O-]	REAL300007723312	0	48	-1.0	-53.22	404.33	6.84	-46.38
C=CCCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007723313	0	38	-1.0	-40.83	333.03	6.41	-34.42
C=CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007723314	0	38	-1.0	-55.19	350.52	6.23	-48.96
C=CCCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007723315	0	36	-1.0	-53.92	337.18	5.98	-47.94
C=CCCC(NS(=O)(=O)C1=CC=CC=C1CCC)C(=O)[O-]	REAL300007723316	0	41	-1.0	-55.41	339.56	6.79	-48.62
C=CCCC(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007723317	0	35	-1.0	-46.02	298.44	1.84	-44.18
C=CCCC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007723318	0	48	-1.0	-51.86	404.30	7.09	-44.77
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007723319	0	37	-1.0	-49.18	325.94	4.95	-44.23
C=CCCC(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007723320	0	35	-1.0	-40.27	308.61	4.99	-35.28
C=CCCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007723321	0	39	-1.0	-54.55	340.57	4.02	-50.53
C=CCCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007723322	0	39	-1.0	-49.10	333.74	4.07	-45.03
C=CCCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007723323	0	42	-1.0	-51.78	349.87	4.73	-47.05
C=CCCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007723324	0	43	-1.0	-44.93	349.51	2.74	-42.19
C=CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007723325	0	38	-1.0	-52.52	357.23	5.28	-47.24
C=CCCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007723326	0	39	-1.0	-47.23	329.90	4.35	-42.88
C=CCCC(NS(=O)(=O)C1=CC=C(OCCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007723327	0	57	-1.0	-53.44	464.25	8.94	-44.50
C=CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007723328	0	48	-1.0	-57.26	382.33	5.78	-51.48
C=CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007723329	0	42	-1.0	-42.35	351.54	5.93	-36.42
C=CCCC(NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007723330	0	55	-1.0	-55.95	455.24	6.80	-49.15
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007723331	0	40	-1.0	-58.41	346.47	5.02	-53.39
C=CCCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007723332	0	40	-1.0	-51.13	359.37	4.02	-47.11
C=CCCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007723333	0	38	-1.0	-46.54	341.12	5.00	-41.54
C=CCCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007723334	0	37	-1.0	-64.23	331.23	3.94	-60.29
C=CCCC(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300007723335	0	41	-1.0	-42.45	336.15	4.41	-38.04
C=CCCC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007723336	0	33	-1.0	-49.53	304.35	3.14	-46.39
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007723337	0	35	-1.0	-55.30	328.98	5.80	-49.50
C=CCCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007723338	0	39	-1.0	-45.32	338.83	4.11	-41.21
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007723339	0	41	-1.0	-42.30	339.97	6.59	-35.71
C=CCCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007723340	0	40	-1.0	-48.41	345.33	4.26	-44.15
C=CCCC(NS(=O)(=O)C1=COC2=CC=CC=C21)C(=O)[O-]	REAL300007723341	0	35	-1.0	-53.14	319.74	4.64	-48.50
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007723342	0	45	-1.0	-46.70	373.86	5.17	-41.53
C=CCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007723343	0	44	-1.0	-51.33	365.17	4.82	-46.51
C=CCCC(NS(=O)(=O)C1=CN(CCCC)N=C1C)C(=O)[O-]	REAL300007723344	0	44	-1.0	-46.98	378.77	5.07	-41.91
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007723345	0	39	-1.0	-47.35	346.09	4.23	-43.12
C=CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007723346	0	36	-1.0	-55.40	329.05	3.90	-51.50
C=CCCC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007723347	0	37	-1.0	-56.94	321.44	2.96	-53.98
C=CCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007723348	0	38	-1.0	-40.61	338.64	6.33	-34.28
C=CCCC(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007723349	0	43	-1.0	-53.39	343.98	4.71	-48.68
C=CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007723350	0	38	-1.0	-49.56	358.81	5.48	-44.08
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007723351	0	42	-1.0	-47.11	362.20	4.79	-42.32
C=CCCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007723352	0	50	-1.0	-43.34	397.57	8.35	-34.99
C=CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007723353	0	38	-1.0	-40.86	361.81	6.27	-34.59
C=CCCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007723354	0	42	-1.0	-46.02	362.34	5.02	-41.00
C=CCCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007723355	0	36	-1.0	-42.94	315.06	5.23	-37.71
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007723356	0	43	-1.0	-57.09	386.01	7.18	-49.91
C=CCCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007723357	0	41	-1.0	-71.37	353.25	5.74	-65.63
C=CCCC(NS(=O)(=O)C1=CC=CC(CCC)=C1)C(=O)[O-]	REAL300007723358	0	41	-1.0	-53.49	353.97	6.56	-46.93
C=CCCC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007723359	0	39	-1.0	-51.05	333.51	3.84	-47.21
C=CCCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007723360	0	41	-1.0	-43.37	334.09	4.05	-39.32
C=CCCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007723361	0	41	-1.0	-45.28	352.87	4.08	-41.20
C=CCCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007723362	0	39	-1.0	-44.85	339.21	3.46	-41.39
C=CCCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007723363	0	37	-1.0	-47.25	340.83	4.14	-43.11
C=CCCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007723364	0	35	-1.0	-39.25	335.76	5.47	-33.78
C=CCCC(NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300007723365	0	43	-1.0	-48.72	375.19	6.44	-42.28
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007723366	0	43	-1.0	-55.48	359.14	7.42	-48.06
C=CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007723367	0	38	-1.0	-51.42	353.04	5.39	-46.03
C=CCCC(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007723368	0	38	-1.0	-43.83	331.31	4.88	-38.95
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300007723369	0	42	-1.0	-50.71	385.79	5.12	-45.59
C=CCCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007723370	0	32	-1.0	-41.37	304.68	4.63	-36.74
C=CCCC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007723371	0	39	-1.0	-53.05	338.77	6.45	-46.60
C=CCCC(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300007723372	0	33	-1.0	-41.67	296.87	3.36	-38.31
C=CCCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007723373	0	42	-1.0	-49.62	355.42	4.98	-44.64
C=CCCC(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300007723374	0	41	-1.0	-51.00	340.75	3.78	-47.22
C=CCCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007723375	0	46	-1.0	-43.07	360.55	5.42	-37.65
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007723376	0	46	-1.0	-45.73	383.63	3.42	-42.31
C=CCCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007723377	0	38	-1.0	-44.26	343.47	5.96	-38.30
C=CCCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007723378	0	36	-1.0	-53.17	329.07	3.90	-49.27
C=CCCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007723379	0	47	-1.0	-53.92	385.24	6.98	-46.94
C=CCCC(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300007723380	0	33	-1.0	-52.63	314.28	2.79	-49.84
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007723381	0	43	-1.0	-52.83	359.23	6.71	-46.12
C=CCCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007723382	0	40	-1.0	-52.43	332.26	3.97	-48.46
C=CCCC(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007723383	0	35	-1.0	-42.73	323.28	3.10	-39.63
C=CCCC(NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300007723384	0	42	-1.0	-43.92	367.18	5.12	-38.80
C=CCCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007723385	0	42	-1.0	-48.37	369.27	5.64	-42.73
C=CCCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007723386	0	45	-1.0	-47.55	377.00	5.35	-42.20
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007723387	0	43	-1.0	-52.13	378.47	7.19	-44.94
C=CCCC(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007723388	0	35	-1.0	-57.38	307.18	5.33	-52.05
C=CCCC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007723389	0	38	-1.0	-41.44	346.04	6.11	-35.33
C=CCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007723390	0	41	-1.0	-57.58	346.64	7.12	-50.46
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007723391	0	42	-1.0	-49.35	358.12	5.61	-43.74
C=CCCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007723392	0	36	-1.0	-53.00	329.11	5.64	-47.36
C=CCCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007723393	0	36	-1.0	-41.95	341.55	6.18	-35.77
C=CCCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007723394	0	36	-1.0	-52.73	344.23	6.18	-46.55
C=CCCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007723395	0	37	-1.0	-42.54	332.37	-1.70	-44.24
C=CCCC(NS(=O)(=O)C1=CN=C2C=CC=CN21)C(=O)[O-]	REAL300007723396	0	35	-1.0	-50.98	313.84	4.74	-46.24
C=CCCC(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007723397	0	38	-1.0	-39.85	322.77	4.88	-34.97
C=CCCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007723398	0	34	-1.0	-52.74	320.46	3.74	-49.00
C=CCCC(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007723399	0	40	-1.0	-54.95	344.51	1.52	-53.43
C=CCCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007723400	0	41	-1.0	-59.13	362.33	3.95	-55.18
C=CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007723400	1	40	-2.0	-143.37	363.61	3.06	-140.31
C=CCCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007723401	0	49	-1.0	-42.68	366.18	7.24	-35.44
C=CCCC(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007723402	0	42	-1.0	-59.75	350.01	3.51	-56.24
C=CCCC(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007723403	0	35	-1.0	-44.22	316.84	0.01	-44.21
C=CCCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007723404	0	40	-1.0	-46.61	328.27	4.84	-41.77
C=CCCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007723405	0	40	-1.0	-53.44	356.50	1.14	-52.30
C=CCCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007723406	0	45	-1.0	-57.09	363.71	4.69	-52.40
C=CCCC(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007723407	0	42	-1.0	-54.98	359.96	6.63	-48.35
C=CCCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007723408	0	36	-1.0	-63.32	337.42	3.37	-59.95
C=CCCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007723409	0	42	-1.0	-41.46	369.97	7.23	-34.23
C=CCCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007723410	0	41	-1.0	-43.05	339.75	1.77	-41.28
C=CCCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007723411	0	45	-1.0	-42.05	356.52	6.36	-35.69
C=CCCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007723412	0	36	-1.0	-54.36	334.32	5.68	-48.68
C=CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007723413	0	54	-1.0	-54.66	419.17	8.51	-46.15
C=CCCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007723414	0	43	-1.0	-54.20	363.25	5.36	-48.84
C=CCCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007723415	0	37	-1.0	-55.36	333.40	1.89	-53.47
C=CCCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007723416	0	44	-1.0	-43.38	346.09	4.80	-38.58
C=CCCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007723417	0	43	-1.0	-40.06	358.89	6.02	-34.04
C=CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007723418	0	36	-1.0	-45.41	338.73	5.21	-40.20
C=CCCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007723419	0	36	-1.0	-43.78	325.90	3.94	-39.84
C=CCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007723419	1	35	-2.0	-138.08	321.05	4.25	-133.83
C=CCCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007723420	0	36	-1.0	-56.43	335.27	3.98	-52.45
C=CCCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007723421	0	38	-1.0	-52.42	333.91	4.25	-48.17
C=CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007723422	0	39	-1.0	-49.45	342.06	6.14	-43.31
C=CCCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007723423	0	41	-1.0	-41.64	367.22	4.85	-36.79
C=CCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007723424	0	45	-1.0	-54.88	378.56	6.66	-48.22
C=CCCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007723425	0	43	-1.0	-45.78	378.95	7.26	-38.52
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007723426	0	38	-1.0	-65.37	319.48	5.50	-59.87
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007723427	0	33	-1.0	-43.84	316.95	3.29	-40.55
C=CCCC(NS(=O)(=O)C1=CC=CC(OCC(=C)C)=C1)C(=O)[O-]	REAL300007723428	0	43	-1.0	-45.75	374.28	6.02	-39.73
C=CCCC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300007723429	0	42	-1.0	-48.09	368.12	5.12	-42.97
C=CCCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007723430	0	36	-1.0	-63.75	329.03	3.76	-59.99
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007723431	0	38	-1.0	-52.48	352.17	7.12	-45.36
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007723432	0	42	-1.0	-44.65	381.54	8.34	-36.31
C=CCCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007723433	0	31	-1.0	-48.96	317.21	2.35	-46.61
C=CCCC(NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300007723434	0	38	-1.0	-50.29	348.59	6.22	-44.07
C=CCCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007723435	0	45	-1.0	-49.56	377.06	5.58	-43.98
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007723436	0	29	-1.0	-38.76	297.25	3.91	-34.85
C=CCCC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300007723437	0	46	-1.0	-43.72	379.21	4.69	-39.03
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007723438	0	38	-1.0	-44.90	343.88	7.12	-37.78
C=CCCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007723439	0	40	-1.0	-46.94	336.18	2.02	-44.92
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007723440	0	39	-1.0	-43.78	331.32	6.56	-37.22
C=CCCC(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007723441	0	43	-1.0	-41.81	343.05	4.50	-37.31
C=CCCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007723442	0	47	-1.0	-52.62	391.46	4.73	-47.89
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007723443	0	35	-1.0	-42.44	330.63	2.04	-40.40
C=CCCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007723444	0	38	-1.0	-49.92	336.97	1.77	-48.15
C=CCCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007723445	0	41	-1.0	-46.96	358.03	4.52	-42.44
C=CCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007723446	0	41	-1.0	-45.66	347.58	3.91	-41.75
C=CCCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007723447	0	42	-1.0	-38.55	340.48	1.88	-36.67
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007723448	0	37	-1.0	-39.95	338.74	6.48	-33.47
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007723449	0	43	-1.0	-48.42	363.01	4.80	-43.62
C=CCCC(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007723450	0	38	-1.0	-49.37	330.70	3.59	-45.78
C=CCCC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007723451	0	39	-1.0	-43.00	337.15	4.53	-38.47
C=CCCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007723452	0	39	-1.0	-57.75	338.12	5.01	-52.74
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007723453	0	34	-1.0	-48.54	318.80	3.34	-45.20
C=CCCC(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007723454	0	37	-1.0	-63.01	324.02	4.73	-58.28
C=CCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007723455	0	41	-1.0	-45.60	354.04	4.21	-41.39
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007723456	0	46	-1.0	-52.21	398.64	7.89	-44.32
C=CCCC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007723457	0	37	-1.0	-60.80	322.51	5.24	-55.56
C=CCCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007723458	0	35	-1.0	-50.57	312.41	3.72	-46.85
C=CCCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007723459	0	40	-1.0	-48.40	344.96	0.11	-48.29
C=CCCC(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007723460	0	39	-1.0	-55.11	310.57	3.00	-52.11
C=CCCC(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007723461	0	38	-1.0	-56.92	327.78	3.81	-53.11
C=CCCC(NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300007723462	0	35	-1.0	-56.32	315.37	1.74	-54.58
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007723463	0	39	-1.0	-44.88	334.72	5.00	-39.88
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300007723464	0	35	-1.0	-47.37	316.03	1.77	-45.60
C=CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007723465	0	38	-1.0	-51.56	354.65	2.59	-48.97
C=CCCC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007723466	0	37	-1.0	-53.36	324.55	4.71	-48.65
C=CCCC(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300007723467	0	38	-1.0	-61.11	332.66	3.66	-57.45
C=CCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007723468	0	40	-1.0	-50.61	331.45	5.93	-44.68
C=CCCC(NS(=O)(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]	REAL300007723469	0	36	-1.0	-48.18	308.82	3.81	-44.37
C=CCCC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007723470	0	34	-1.0	-60.68	319.75	3.37	-57.31
C=CCCC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007723471	0	39	-1.0	-45.41	348.22	4.85	-40.56
C=CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007723472	0	45	-1.0	-46.19	377.63	6.45	-39.74
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723473	0	37	-1.0	-58.63	316.65	4.81	-53.82
CCC(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723474	0	44	-1.0	-47.11	354.11	6.98	-40.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007723475	0	29	-1.0	-42.17	282.73	3.96	-38.21
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723476	0	39	-1.0	-46.82	323.05	5.20	-41.62
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723477	0	35	-1.0	-39.50	303.27	5.70	-33.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007723478	0	36	-1.0	-46.76	316.99	4.97	-41.79
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723479	0	38	-1.0	-50.03	336.11	1.91	-48.12
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007723480	0	36	-1.0	-46.58	321.38	4.20	-42.38
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300007723481	0	43	-1.0	-43.86	341.58	4.24	-39.62
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723482	0	35	-1.0	-40.65	300.20	5.52	-35.13
CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723483	0	43	-1.0	-44.97	324.35	4.58	-40.39
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723484	0	38	-1.0	-51.26	308.11	3.31	-47.95
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007723485	0	48	-1.0	-46.98	377.27	8.19	-38.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007723486	0	38	-1.0	-47.90	319.87	3.58	-44.32
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1Br	REAL300007723487	0	32	-1.0	-45.05	288.00	4.86	-40.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007723488	0	32	-1.0	-46.51	296.68	5.03	-41.48
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723489	0	37	-1.0	-58.57	301.23	6.61	-51.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007723490	0	38	-1.0	-43.91	337.71	6.26	-37.65
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723491	0	42	-1.0	-49.74	359.20	0.78	-48.96
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723492	0	43	-1.0	-51.03	357.82	6.21	-44.82
CC1=CC(F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723493	0	35	-1.0	-44.23	300.80	5.04	-39.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007723494	0	38	-1.0	-49.56	316.74	4.79	-44.77
COCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723495	0	39	-1.0	-47.46	330.47	4.11	-43.35
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007723496	0	38	-1.0	-44.23	324.86	1.85	-42.38
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723497	0	41	-1.0	-58.53	360.43	2.60	-55.93
CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723498	0	37	-1.0	-53.20	324.91	0.25	-52.95
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300007723499	0	42	-1.0	-44.54	328.82	4.86	-39.68
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007723500	0	37	-1.0	-55.06	331.38	4.85	-50.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007723501	0	35	-1.0	-42.94	320.91	5.73	-37.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007723502	0	37	-1.0	-52.57	316.29	4.75	-47.82
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300007723503	0	42	-1.0	-55.36	342.91	-0.19	-55.55
CN(C1CCOCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723504	0	41	-1.0	-44.79	317.29	2.23	-42.56
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007723505	0	41	-1.0	-50.23	344.03	5.52	-44.71
CCN1N=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007723506	0	41	-1.0	-46.17	329.32	4.16	-42.01
CC(C)N1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007723507	0	38	-1.0	-46.08	321.41	3.34	-42.74
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723508	0	41	-1.0	-55.94	340.06	5.35	-50.59
CC(C)N1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723509	0	38	-1.0	-49.46	319.59	4.73	-44.73
CC(C)C1=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1	REAL300007723510	0	38	-1.0	-57.75	317.54	2.76	-54.99
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723511	0	44	-1.0	-47.01	322.28	6.58	-40.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007723512	0	45	-1.0	-54.89	378.29	7.22	-47.67
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723513	0	40	-1.0	-49.10	341.45	3.81	-45.29
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300007723514	0	40	-1.0	-44.98	340.15	3.97	-41.01
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007723515	0	35	-1.0	-47.35	314.89	5.60	-41.75
CC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723516	0	35	-1.0	-45.78	290.45	5.11	-40.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007723517	0	38	-1.0	-46.60	329.34	7.05	-39.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007723518	0	37	-1.0	-39.08	322.46	5.77	-33.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007723519	0	36	-1.0	-46.00	320.85	4.05	-41.95
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007723520	0	39	-1.0	-46.29	338.22	5.71	-40.58
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723521	0	47	-1.0	-45.81	369.14	5.71	-40.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007723522	0	35	-1.0	-49.55	309.56	5.32	-44.23
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723523	0	43	-1.0	-47.58	356.72	4.25	-43.33
CC1(C)CCC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])OC1	REAL300007724001	0	45	-1.0	-46.76	350.14	4.74	-42.02
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007724002	0	42	-1.0	-44.73	345.50	6.67	-38.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007724003	0	36	-1.0	-57.09	321.85	3.30	-53.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007724004	0	42	-1.0	-46.97	357.66	7.10	-39.87
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007724005	0	41	-1.0	-48.09	327.72	1.76	-46.33
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007724006	0	45	-1.0	-47.27	341.45	6.28	-40.99
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007724007	0	36	-1.0	-45.54	320.56	5.58	-39.96
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300007724008	0	54	-1.0	-49.74	405.11	8.59	-41.15
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007724009	0	43	-1.0	-47.19	346.58	5.35	-41.84
COC1=CSC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300007724010	0	37	-1.0	-44.81	320.56	2.66	-42.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007724011	0	44	-1.0	-46.65	334.08	4.80	-41.85
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724012	0	43	-1.0	-44.50	355.34	6.32	-38.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007724013	0	36	-1.0	-44.56	316.08	4.62	-39.94
COC1=CC(F)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300007724014	0	36	-1.0	-46.11	311.58	3.90	-42.21
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300007724014	1	35	-2.0	-127.41	308.31	3.70	-123.71
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007724015	0	36	-1.0	-50.70	320.85	4.05	-46.65
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724016	0	38	-1.0	-49.04	319.41	4.31	-44.73
CN1C=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300007724017	0	39	-1.0	-54.11	329.08	6.17	-47.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007724018	0	41	-1.0	-45.40	354.25	4.90	-40.50
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724019	0	45	-1.0	-52.18	363.87	6.63	-45.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007724020	0	43	-1.0	-44.01	358.56	7.16	-36.85
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724021	0	38	-1.0	-53.93	307.41	5.68	-48.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007724022	0	33	-1.0	-44.85	308.66	3.42	-41.43
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007724023	0	43	-1.0	-46.41	359.00	6.04	-40.37
CCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007724024	0	42	-1.0	-49.66	351.56	4.98	-44.68
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300007724025	0	36	-1.0	-42.32	306.75	3.54	-38.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007724026	0	38	-1.0	-47.22	337.94	7.15	-40.07
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007724027	0	42	-1.0	-46.91	366.31	8.35	-38.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007724028	0	31	-1.0	-46.76	301.05	2.45	-44.31
CCC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300007724029	0	38	-1.0	-44.45	334.41	6.29	-38.16
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007724030	0	45	-1.0	-45.81	358.72	5.49	-40.32
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007724031	0	29	-1.0	-44.40	282.58	3.86	-40.54
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007724032	0	46	-1.0	-46.23	378.22	5.03	-41.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007724033	0	38	-1.0	-44.98	314.92	6.66	-38.32
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724034	0	40	-1.0	-47.67	322.60	2.03	-45.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007724035	0	39	-1.0	-44.39	310.05	6.36	-38.03
CC1(C)CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300007724036	0	43	-1.0	-44.90	320.84	4.17	-40.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007724037	0	47	-1.0	-49.71	375.40	4.62	-45.09
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724038	0	35	-1.0	-43.45	304.14	2.12	-41.33
COC1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007724039	0	38	-1.0	-47.18	323.24	1.65	-45.53
CC(C)CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007724040	0	41	-1.0	-44.91	342.79	4.51	-40.40
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724041	0	41	-1.0	-47.43	333.97	3.88	-43.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007724042	0	42	-1.0	-47.02	330.97	1.95	-45.07
COCC1=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=NO1	REAL300007724043	0	38	-1.0	-51.48	330.13	2.12	-49.36
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007724044	0	37	-1.0	-48.02	322.29	5.76	-42.26
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N=C1	REAL300007724045	0	43	-1.0	-52.27	348.12	4.63	-47.64
CC(C)N1N=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724046	0	38	-1.0	-46.22	310.85	3.25	-42.97
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007724047	0	39	-1.0	-44.32	320.79	4.57	-39.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007724048	0	39	-1.0	-49.49	320.50	4.94	-44.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007724049	0	34	-1.0	-49.93	303.76	3.32	-46.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007724050	0	37	-1.0	-54.81	309.46	4.56	-50.25
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300007724051	0	41	-1.0	-41.93	333.14	4.04	-37.89
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007724052	0	46	-1.0	-47.83	385.53	7.95	-39.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007724053	0	37	-1.0	-50.48	310.77	4.87	-45.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CC=C(Br)CC1	REAL300007724054	0	35	-1.0	-42.00	306.09	4.12	-37.88
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724055	0	40	-1.0	-51.47	328.05	-0.02	-51.49
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CC2CCC(C1)O2	REAL300007724056	0	39	-1.0	-47.11	305.00	2.36	-44.75
N#CC1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300007724057	0	38	-1.0	-44.25	312.64	3.83	-40.42
COC1=CC=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007724058	0	35	-1.0	-51.89	298.54	1.74	-50.15
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300007724059	0	39	-1.0	-45.11	319.90	4.34	-40.77
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N=C1	REAL300007724060	0	35	-1.0	-46.69	302.35	1.64	-45.05
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724061	0	38	-1.0	-44.23	331.87	2.75	-41.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007724062	0	37	-1.0	-46.48	310.76	4.73	-41.75
CCOC1=CC=CN=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724063	0	38	-1.0	-54.59	318.59	3.67	-50.92
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007724064	0	40	-1.0	-55.08	332.76	5.53	-49.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007724065	0	36	-1.0	-53.66	305.55	4.23	-49.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007724066	0	34	-1.0	-51.43	301.30	3.30	-48.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007724067	0	39	-1.0	-50.70	344.54	5.23	-45.47
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007724068	0	45	-1.0	-57.94	363.82	6.39	-51.55
O=C([O-])C(NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CC=C1	REAL300007724069	0	32	-1.0	-53.57	298.02	5.25	-48.32
CC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007724070	0	37	-1.0	-61.71	331.85	5.59	-56.12
CCCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300007724071	0	39	-1.0	-54.61	331.14	4.82	-49.79
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007724072	0	44	-1.0	-55.80	370.28	7.77	-48.03
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300007724073	0	32	-1.0	-56.86	305.86	5.03	-51.83
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)S1)C1=CC=CC=C1	REAL300007724074	0	29	-1.0	-52.84	301.12	4.85	-47.99
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300007724075	0	39	-1.0	-61.11	342.47	5.68	-55.43
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300007724076	0	35	-1.0	-55.80	328.48	6.78	-49.02
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C1=CC=CC=C1	REAL300007724077	0	36	-1.0	-46.45	335.13	5.59	-40.86
O=C([O-])C(NS(=O)(=O)N1CCOCC1)C1=CC=CC=C1	REAL300007724078	0	35	-1.0	-42.11	290.69	1.71	-40.40
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007724079	0	38	-1.0	-57.05	353.08	2.79	-54.26
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC=C1	REAL300007724080	0	36	-1.0	-43.65	338.36	5.08	-38.57
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300007724081	0	43	-1.0	-57.53	366.00	5.36	-52.17
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300007724082	0	35	-1.0	-52.92	324.15	6.64	-46.28
CN(C1CCCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300007724083	0	43	-1.0	-54.41	346.44	5.65	-48.76
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300007724084	0	38	-1.0	-48.97	329.55	4.35	-44.62
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C1=CC=CC=C1	REAL300007724085	0	48	-1.0	-55.59	393.47	8.98	-46.61
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=CC=CC=C1	REAL300007724086	0	38	-1.0	-48.83	334.82	4.40	-44.43
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007724087	0	38	-1.0	-47.41	335.27	6.71	-40.70
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1Br)C1=CC=CC=C1	REAL300007724088	0	32	-1.0	-56.34	309.04	6.00	-50.34
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Br)=C1)C1=CC=CC=C1	REAL300007724089	0	32	-1.0	-53.31	312.91	5.80	-47.51
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300007724090	0	37	-1.0	-52.23	325.09	7.59	-44.64
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300007724091	0	38	-1.0	-44.65	351.80	7.26	-37.39
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300007724092	0	42	-1.0	-48.52	373.08	1.80	-46.72
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007724093	0	43	-1.0	-54.40	374.20	7.02	-47.38
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007724094	0	35	-1.0	-55.87	319.43	5.90	-49.97
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1=CC=CC=C1	REAL300007724095	0	38	-1.0	-49.01	337.70	5.78	-43.23
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O=C([O-])C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C1=CC=CC=C1	REAL300007724695	0	34	-1.0	-53.05	320.61	4.27	-48.78
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12)C1=CC=CC=C1	REAL300007724696	0	39	-1.0	-55.38	365.47	6.18	-49.20
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007724697	0	45	-1.0	-61.48	382.32	7.23	-54.25
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724698	0	37	-1.0	-52.19	316.90	5.47	-46.72
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724699	0	44	-1.0	-48.83	352.77	7.58	-41.25
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007724700	0	29	-1.0	-46.17	281.92	4.60	-41.57
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724701	0	39	-1.0	-51.97	317.92	5.52	-46.45
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724702	0	35	-1.0	-44.48	298.64	5.93	-38.55
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007724703	0	36	-1.0	-51.79	312.37	5.30	-46.49
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724704	0	38	-1.0	-57.11	334.81	2.52	-54.59
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007724705	0	36	-1.0	-45.61	320.12	4.78	-40.83
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OC	REAL300007724706	0	43	-1.0	-52.37	336.51	4.50	-47.87
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724707	0	35	-1.0	-45.37	293.54	5.73	-39.64
CN(C1CCCCC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724708	0	43	-1.0	-49.02	327.43	5.33	-43.69
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724709	0	38	-1.0	-52.87	307.03	3.91	-48.96
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007724710	0	48	-1.0	-49.59	375.21	8.81	-40.78
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007724711	0	38	-1.0	-50.81	317.42	4.13	-46.68
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007724712	0	32	-1.0	-49.22	282.27	5.33	-43.89
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007724713	0	32	-1.0	-46.28	295.42	5.61	-40.67
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724714	0	37	-1.0	-64.83	298.83	6.71	-58.12
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007724715	0	38	-1.0	-50.99	336.16	7.01	-43.98
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724716	0	42	-1.0	-60.11	356.69	1.55	-58.56
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724717	0	43	-1.0	-53.60	356.55	6.83	-46.77
CC1=CC(F)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724718	0	35	-1.0	-46.38	301.19	5.69	-40.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007724719	0	38	-1.0	-49.47	319.08	5.48	-43.99
COCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724720	0	39	-1.0	-49.87	329.17	4.73	-45.14
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007724721	0	38	-1.0	-47.27	322.42	2.58	-44.69
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724722	0	41	-1.0	-60.91	359.13	3.21	-57.70
CS(=O)(=O)CCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724723	0	37	-1.0	-63.86	322.39	1.01	-62.85
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1C	REAL300007724724	0	42	-1.0	-51.27	324.44	5.23	-46.04
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007724725	0	37	-1.0	-51.00	327.67	5.49	-45.51
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007724726	0	35	-1.0	-49.48	318.46	6.32	-43.16
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007724727	0	37	-1.0	-53.84	315.05	5.39	-48.45
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300007724728	0	42	-1.0	-57.22	342.04	0.46	-56.76
CN(C1CCOCC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724729	0	41	-1.0	-48.96	321.23	3.05	-45.91
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007724730	0	41	-1.0	-54.86	338.91	5.99	-48.87
CCN1N=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007724731	0	41	-1.0	-52.81	329.87	4.82	-47.99
CC(C)N1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007724732	0	38	-1.0	-52.53	318.13	4.07	-48.46
CC(C)CN1C=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724733	0	41	-1.0	-53.47	338.80	5.98	-47.49
CC(C)N1C=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724734	0	38	-1.0	-58.02	319.57	5.39	-52.63
CC(C)C1=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CN1	REAL300007724735	0	38	-1.0	-56.24	317.33	3.42	-52.82
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724736	0	44	-1.0	-48.77	321.34	7.67	-41.10
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300007724737	0	45	-1.0	-54.59	372.01	7.90	-46.69
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724738	0	40	-1.0	-53.66	340.20	4.41	-49.25
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OC	REAL300007724739	0	40	-1.0	-51.79	339.37	4.50	-47.29
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007724740	0	35	-1.0	-50.49	313.60	6.19	-44.30
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724741	0	35	-1.0	-49.43	282.50	5.33	-44.10
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007724742	0	38	-1.0	-49.88	323.18	7.74	-42.14
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007724743	0	37	-1.0	-45.99	322.78	6.86	-39.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007724744	0	36	-1.0	-49.20	319.56	4.64	-44.56
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007724745	0	39	-1.0	-51.68	334.37	6.43	-45.25
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724746	0	47	-1.0	-52.43	369.71	6.36	-46.07
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007724747	0	35	-1.0	-52.22	308.26	5.93	-46.29
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724748	0	43	-1.0	-53.10	351.58	4.58	-48.52
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300007725001	0	37	-1.0	-50.47	309.34	4.26	-46.21
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007725002	0	40	-1.0	-55.15	337.78	6.27	-48.88
O=C([O-])C1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007725003	0	38	-1.0	-57.12	314.41	1.39	-55.73
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007725004	0	37	-1.0	-56.87	322.36	5.17	-51.70
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300007725005	0	42	-1.0	-48.26	328.46	5.50	-42.76
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725006	0	40	-1.0	-52.00	350.72	1.16	-50.84
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007725007	0	36	-1.0	-48.01	305.58	5.09	-42.92
CSC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007725008	0	36	-1.0	-48.30	314.30	6.02	-42.28
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007725009	0	38	-1.0	-49.58	336.23	6.73	-42.85
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725010	0	43	-1.0	-49.92	343.02	6.80	-43.12
CCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)N=C1C	REAL300007725011	0	38	-1.0	-56.70	319.11	4.76	-51.94
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007725012	0	38	-1.0	-51.78	308.50	4.54	-47.24
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300007725013	0	37	-1.0	-51.89	303.91	5.10	-46.79
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300007725014	0	44	-1.0	-51.20	367.81	6.99	-44.21
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007725015	0	38	-1.0	-51.79	328.53	6.52	-45.27
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007725016	0	38	-1.0	-53.13	344.44	5.60	-47.53
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007725017	0	41	-1.0	-48.37	338.96	6.59	-41.78
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C12	REAL300007725018	0	40	-1.0	-52.32	339.70	4.70	-47.62
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725019	0	39	-1.0	-51.81	342.78	5.62	-46.19
COCC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725020	0	39	-1.0	-49.63	329.16	4.72	-44.91
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=C2O1	REAL300007725021	0	43	-1.0	-55.05	347.79	6.28	-48.77
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007725022	0	35	-1.0	-52.88	311.29	6.20	-46.68
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300007725023	0	44	-1.0	-60.73	369.95	3.50	-57.23
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007725024	0	39	-1.0	-49.36	343.17	5.50	-43.86
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007725025	0	40	-1.0	-54.37	331.85	5.73	-48.64
O=C([O-])C1CCCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007725026	0	35	-1.0	-52.29	324.22	6.60	-45.69
CC1CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300007725027	0	40	-1.0	-49.35	330.43	5.58	-43.77
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725028	0	44	-1.0	-48.25	323.27	7.57	-40.68
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725029	0	44	-1.0	-55.76	349.87	3.35	-52.41
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300007725030	0	43	-1.0	-49.76	379.54	8.35	-41.41
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007725031	0	38	-1.0	-54.63	338.10	5.53	-49.10
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300007725032	0	38	-1.0	-52.85	354.77	6.05	-46.80
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2)=CO1	REAL300007725033	0	41	-1.0	-56.05	350.49	4.06	-51.99
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007725034	0	35	-1.0	-51.41	311.73	3.58	-47.83
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007725035	0	35	-1.0	-49.48	303.85	5.39	-44.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007725036	0	35	-1.0	-48.10	299.42	3.62	-44.48
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007725037	0	35	-1.0	-49.84	300.11	1.67	-48.17
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007725038	0	40	-1.0	-49.31	327.83	5.62	-43.69
O=C([O-])C1CCCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007725039	0	39	-1.0	-49.43	314.73	6.69	-42.74
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=N2)C=C1	REAL300007725040	0	42	-1.0	-53.22	355.32	6.76	-46.46
CC1CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007725041	0	40	-1.0	-51.70	347.87	6.11	-45.59
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007725042	0	37	-1.0	-47.34	318.29	6.17	-41.17
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007725043	0	43	-1.0	-52.84	361.09	5.72	-47.12
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007725044	0	34	-1.0	-50.24	304.93	4.47	-45.77
CN(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007725045	0	40	-1.0	-50.77	325.20	5.38	-45.39
CC1=CC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300007725046	0	41	-1.0	-51.33	340.23	7.92	-43.41
COC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)SC=C1	REAL300007725047	0	33	-1.0	-52.33	293.66	3.98	-48.35
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725048	0	40	-1.0	-50.00	326.63	5.40	-44.60
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007725049	0	37	-1.0	-53.34	305.93	4.84	-48.50
O=C([O-])C1CCCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007725050	0	37	-1.0	-57.86	321.24	5.09	-52.77
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007725051	0	37	-1.0	-54.01	309.18	4.82	-49.19
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007725052	0	38	-1.0	-49.56	335.40	7.00	-42.56
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C21	REAL300007725053	0	44	-1.0	-52.67	347.15	5.54	-47.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007725054	0	34	-1.0	-49.85	308.43	4.29	-45.56
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725055	0	40	-1.0	-56.83	327.38	5.49	-51.34
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725056	0	40	-1.0	-53.15	321.97	6.45	-46.70
CC1=CC=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007725057	0	40	-1.0	-63.27	323.69	8.03	-55.24
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007725058	0	40	-1.0	-44.23	321.30	6.45	-37.78
COC1=CC=C(CCS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007725059	0	42	-1.0	-50.87	348.17	5.78	-45.09
COC1=CN=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725060	0	35	-1.0	-50.07	297.51	2.46	-47.61
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007725061	0	41	-1.0	-48.71	345.95	6.62	-42.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007725062	0	39	-1.0	-49.12	323.30	7.10	-42.02
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(OC)=C1	REAL300007725063	0	40	-1.0	-51.75	332.33	3.56	-48.19
O=C([O-])C1CCCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007725064	0	44	-1.0	-50.31	338.98	6.66	-43.65
CC1=CC=C(CCS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007725065	0	41	-1.0	-49.87	340.08	7.15	-42.72
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1)OCO2	REAL300007725066	0	38	-1.0	-52.08	302.52	3.93	-48.15
O=C([O-])C1CCCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007725067	0	35	-1.0	-54.06	299.34	5.27	-48.79
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300007725068	0	36	-1.0	-47.49	319.62	4.85	-42.64
CN1C=NC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007725069	0	38	-1.0	-53.44	321.66	6.32	-47.12
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007725070	0	40	-1.0	-59.19	323.28	6.55	-52.64
CC1=NC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2O1	REAL300007725071	0	37	-1.0	-52.71	316.58	2.64	-50.07
CCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1CC	REAL300007725072	0	44	-1.0	-49.98	351.16	7.56	-42.42
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725073	0	40	-1.0	-45.83	322.24	6.96	-38.87
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725074	0	42	-1.0	-51.02	332.38	6.48	-44.54
CC1=C(C)SC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725075	0	35	-1.0	-50.12	306.33	5.36	-44.76
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725076	0	33	-1.0	-47.46	290.21	2.93	-44.53
CCC1=NC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007725077	0	34	-1.0	-48.93	304.10	3.58	-45.35
CN(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007725078	0	39	-1.0	-52.43	321.33	4.85	-47.58
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007725079	0	35	-1.0	-46.86	301.76	5.57	-41.29
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007725080	0	38	-1.0	-55.11	318.74	6.27	-48.84
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007725081	0	35	-1.0	-52.45	297.28	3.61	-48.84
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(C)=C1F	REAL300007725082	0	38	-1.0	-47.31	320.37	6.29	-41.02
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007725083	0	39	-1.0	-58.86	330.10	4.75	-54.11
O=C([O-])C1CCCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007725084	0	45	-1.0	-53.87	374.19	6.55	-47.32
O=C([O-])C1CCCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300007725085	0	36	-1.0	-62.05	304.08	4.79	-57.26
O=C([O-])C1CCCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007725086	0	34	-1.0	-55.06	300.80	4.67	-50.39
CC1=NC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=CS1	REAL300007725087	0	34	-1.0	-53.24	303.96	3.43	-49.81
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007725088	0	35	-1.0	-49.56	313.90	6.24	-43.32
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300007725089	0	35	-1.0	-47.18	309.56	6.09	-41.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007725090	0	38	-1.0	-51.70	321.47	5.96	-45.74
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300007725091	0	41	-1.0	-49.33	360.33	6.47	-42.86
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007725092	0	40	-1.0	-52.30	317.36	6.17	-46.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007725093	0	39	-1.0	-56.92	338.03	2.84	-54.08
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007725094	0	41	-1.0	-50.68	329.98	5.36	-45.32
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007725095	0	35	-1.0	-50.17	317.69	6.26	-43.91
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007725096	0	57	-1.0	-48.16	454.44	9.92	-38.24
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725097	0	45	-1.0	-48.13	364.17	6.66	-41.47
COC(CS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300007725098	0	45	-1.0	-49.74	346.24	5.34	-44.40
COC(CS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300007725099	0	48	-1.0	-48.25	368.85	6.18	-42.07
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300007725100	0	46	-1.0	-54.27	391.58	8.35	-45.92
CCOC(CS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1CC1	REAL300007725101	0	42	-1.0	-53.23	337.72	5.34	-47.89
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007725102	0	51	-1.0	-48.07	405.55	8.04	-40.03
CCC1=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CN1CC1CC1	REAL300007725103	0	45	-1.0	-56.38	367.75	6.76	-49.62
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007725104	0	35	-1.0	-49.20	313.83	4.51	-44.69
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007725105	0	40	-1.0	-48.94	327.91	6.88	-42.06
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725106	0	39	-1.0	-47.41	317.63	4.79	-42.62
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007725107	0	45	-1.0	-47.79	372.90	7.16	-40.63
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725108	0	35	-1.0	-47.89	314.44	3.64	-44.25
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300007725109	0	43	-1.0	-48.22	374.70	9.09	-39.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007725110	0	42	-1.0	-52.72	331.44	8.02	-44.70
CCC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(C)C=C1OC	REAL300007725111	0	45	-1.0	-50.65	349.02	6.08	-44.57
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300007725112	0	38	-1.0	-46.96	345.31	6.87	-40.09
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300007725113	0	34	-1.0	-59.04	297.84	3.82	-55.22
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007725114	0	41	-1.0	-53.16	321.81	7.95	-45.21
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007725115	0	41	-1.0	-47.50	342.55	3.51	-43.99
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725116	0	36	-1.0	-47.71	300.06	5.11	-42.60
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007725117	0	48	-1.0	-48.35	384.05	7.24	-41.11
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007725118	0	44	-1.0	-51.13	351.16	7.23	-43.90
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007725119	0	51	-1.0	-50.24	399.01	9.52	-40.72
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725120	0	42	-1.0	-48.32	328.80	4.91	-43.41
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007725121	0	44	-1.0	-50.29	341.54	5.16	-45.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007725122	0	42	-1.0	-51.74	340.84	5.32	-46.42
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725123	0	35	-1.0	-50.08	298.01	3.53	-46.55
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725124	0	39	-1.0	-52.01	332.46	5.17	-46.84
C=CCCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007725125	0	42	-1.0	-49.11	351.30	7.78	-41.33
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725126	0	38	-1.0	-50.01	309.96	3.66	-46.35
CCCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007725127	0	54	-1.0	-47.99	427.05	8.82	-39.17
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007725128	0	36	-1.0	-48.07	322.01	6.68	-41.39
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007725129	0	54	-1.0	-48.10	418.11	8.71	-39.39
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1CC	REAL300007725130	0	48	-1.0	-48.28	388.63	7.51	-40.77
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725131	0	38	-1.0	-45.71	310.72	6.80	-38.91
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725132	0	38	-1.0	-49.33	333.52	7.01	-42.32
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007725133	0	36	-1.0	-48.78	319.52	6.58	-42.20
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725134	0	41	-1.0	-49.93	320.44	7.36	-42.57
COC1=NC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725135	0	35	-1.0	-51.90	293.69	2.22	-49.68
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725136	0	48	-1.0	-53.40	386.90	7.77	-45.63
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007725137	0	37	-1.0	-53.52	303.96	5.52	-48.00
CC1=CSC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725138	0	35	-1.0	-45.55	291.20	5.50	-40.05
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007725139	0	39	-1.0	-48.09	323.25	4.65	-43.44
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007725140	0	39	-1.0	-47.88	319.11	4.77	-43.11
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007725141	0	42	-1.0	-46.89	334.06	5.23	-41.66
CC1(C)COC2=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=NN2C1	REAL300007725142	0	43	-1.0	-50.72	347.97	2.98	-47.74
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007725143	0	38	-1.0	-50.26	340.91	5.90	-44.36
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007725144	0	39	-1.0	-52.98	314.87	5.09	-47.89
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007725145	0	57	-1.0	-48.01	448.54	9.61	-38.40
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007725146	0	48	-1.0	-50.89	371.44	6.98	-43.91
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725147	0	42	-1.0	-52.28	343.67	6.42	-45.86
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007725148	0	55	-1.0	-50.50	439.53	7.46	-43.04
CC1CC2=CC=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=C2O1	REAL300007725149	0	40	-1.0	-54.34	315.96	5.25	-49.09
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007725150	0	40	-1.0	-49.09	342.74	4.66	-44.43
O=C([O-])C1CCCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007725151	0	38	-1.0	-52.35	325.30	5.54	-46.81
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725152	0	37	-1.0	-57.94	314.02	4.57	-53.37
O=C([O-])C1CCCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007725153	0	41	-1.0	-48.52	318.75	4.94	-43.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300007725154	0	36	-1.0	-49.29	324.50	5.40	-43.89
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007725155	0	33	-1.0	-48.94	288.25	3.76	-45.18
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007725156	0	35	-1.0	-52.52	312.19	6.39	-46.13
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725157	0	39	-1.0	-47.71	325.03	4.77	-42.94
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1F	REAL300007725158	0	41	-1.0	-45.63	320.74	6.94	-38.69
COC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1OC	REAL300007725159	0	40	-1.0	-54.34	326.59	4.86	-49.48
O=C([O-])C1CCCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300007725160	0	35	-1.0	-50.43	299.62	5.14	-45.29
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007725161	0	45	-1.0	-52.92	350.49	5.44	-47.48
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725162	0	44	-1.0	-52.79	349.50	5.48	-47.31
CCCCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=N1	REAL300007725163	0	44	-1.0	-51.09	351.16	5.37	-45.72
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007725164	0	39	-1.0	-51.03	316.06	4.40	-46.63
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007725165	0	36	-1.0	-52.34	313.35	4.57	-47.77
CN1N=NC2=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=CC=C21	REAL300007725166	0	37	-1.0	-67.10	315.30	3.47	-63.63
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007725167	0	38	-1.0	-44.68	316.85	6.49	-38.19
CC1(C)CCCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300007725168	0	43	-1.0	-49.07	327.86	5.37	-43.70
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007725169	0	38	-1.0	-46.69	341.63	6.11	-40.58
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300007725170	0	42	-1.0	-50.11	334.99	4.94	-45.17
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725171	0	50	-1.0	-51.46	382.53	8.88	-42.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300007725172	0	38	-1.0	-45.88	345.31	6.87	-39.01
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007725173	0	42	-1.0	-53.21	347.37	5.61	-47.60
O=C([O-])C1CCCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007725174	0	36	-1.0	-50.01	308.33	6.09	-43.92
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007725175	0	43	-1.0	-50.72	366.25	7.86	-42.86
COC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007725176	0	41	-1.0	-62.70	339.52	6.20	-56.50
CCCC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725177	0	41	-1.0	-48.69	338.49	7.20	-41.49
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725178	0	39	-1.0	-49.29	315.98	4.40	-44.89
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725179	0	41	-1.0	-47.43	318.72	4.69	-42.74
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007725180	0	41	-1.0	-52.84	337.86	4.68	-48.16
O=C([O-])C1CCCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007725181	0	39	-1.0	-48.92	311.77	3.59	-45.33
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007725182	0	37	-1.0	-45.40	325.12	4.82	-40.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007725183	0	35	-1.0	-46.56	318.41	6.06	-40.50
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725184	0	43	-1.0	-51.58	358.71	7.02	-44.56
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007725185	0	43	-1.0	-50.74	341.97	7.98	-42.76
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007725186	0	38	-1.0	-48.27	335.81	6.00	-42.27
O=C([O-])C1CCCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007725187	0	38	-1.0	-49.71	315.75	5.44	-44.27
O=C([O-])C1CCCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007725188	0	39	-1.0	-57.04	326.41	3.35	-53.69
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007725189	0	42	-1.0	-48.39	370.30	5.75	-42.64
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007725190	0	32	-1.0	-49.07	290.53	5.04	-44.03
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007725191	0	39	-1.0	-49.70	322.16	7.09	-42.61
COC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=CS1	REAL300007725192	0	33	-1.0	-48.77	292.20	3.49	-45.28
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007725193	0	42	-1.0	-47.64	337.04	5.55	-42.09
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725194	0	41	-1.0	-46.92	330.42	4.76	-42.16
CN(C1CCCCCC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725195	0	46	-1.0	-49.16	339.74	5.84	-43.32
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007725196	0	46	-1.0	-50.97	367.93	3.98	-46.99
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725197	0	38	-1.0	-47.82	327.30	6.53	-41.29
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007725198	0	36	-1.0	-49.71	313.36	4.57	-45.14
O=C([O-])C1CCCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007725199	0	47	-1.0	-49.64	365.25	7.48	-42.16
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007725200	0	33	-1.0	-48.78	296.73	3.43	-45.35
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300007725201	0	43	-1.0	-59.22	340.70	7.01	-52.21
O=C([O-])C1CCCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007725202	0	40	-1.0	-50.21	329.39	5.07	-45.14
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007725203	0	35	-1.0	-52.21	306.04	3.68	-48.53
CCOCC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725204	0	42	-1.0	-49.65	351.02	5.68	-43.97
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725205	0	42	-1.0	-50.53	352.74	6.26	-44.27
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007725206	0	45	-1.0	-48.05	359.77	5.92	-42.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007725207	0	43	-1.0	-49.82	362.77	7.84	-41.98
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300007725208	0	35	-1.0	-51.77	288.92	5.83	-45.94
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(C)=C1Br	REAL300007725209	0	38	-1.0	-47.45	331.04	6.70	-40.75
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007725210	0	41	-1.0	-53.72	326.53	7.85	-45.87
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300007725211	0	42	-1.0	-54.51	349.58	6.11	-48.40
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007725212	0	36	-1.0	-48.95	311.25	6.22	-42.73
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300007725213	0	36	-1.0	-48.04	326.57	6.77	-41.27
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300007725214	0	36	-1.0	-48.57	326.14	6.78	-41.79
O=C([O-])C1CCCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007725215	0	37	-1.0	-57.16	317.33	-1.02	-58.18
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007725216	0	35	-1.0	-55.43	298.44	5.37	-50.06
O=C([O-])C1CCCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007725217	0	38	-1.0	-51.01	306.34	5.40	-45.61
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007725218	0	34	-1.0	-50.37	303.88	4.37	-46.00
O=C([O-])C1CCCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300007725219	0	40	-1.0	-51.03	327.74	2.17	-48.86
CC1=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007725220	0	41	-1.0	-55.80	350.49	4.06	-51.74
O=C([O-])C1CCCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007725221	0	49	-1.0	-51.98	350.85	7.92	-44.06
CC1(C)COC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300007725222	0	42	-1.0	-50.29	333.43	4.27	-46.02
O=C([O-])C1CCCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007725223	0	35	-1.0	-56.67	304.41	0.66	-56.01
CC(C)(CS(=O)(=O)N1CCCC(C(=O)[O-])C1)C(C)(F)F	REAL300007725224	0	40	-1.0	-50.48	312.41	5.47	-45.01
CS(=O)(=O)CCCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725225	0	40	-1.0	-61.58	343.89	1.79	-59.79
CC1(C)CCC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)OC1	REAL300007725226	0	45	-1.0	-49.75	347.66	5.33	-44.42
O=C([O-])C1CCCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300007725227	0	42	-1.0	-49.00	344.65	7.32	-41.68
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007725228	0	36	-1.0	-52.00	322.10	4.07	-47.93
O=C([O-])C1CCCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007725229	0	42	-1.0	-53.06	355.84	7.88	-45.18
O=C([O-])C1CCCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007725230	0	41	-1.0	-57.68	326.37	2.81	-54.87
O=C([O-])C1CCCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007725231	0	45	-1.0	-48.88	340.98	6.96	-41.92
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007725232	0	36	-1.0	-47.74	317.88	6.32	-41.42
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007725233	0	54	-1.0	-49.20	403.79	9.18	-40.02
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007725234	0	43	-1.0	-49.82	350.66	6.01	-43.81
COC1=CSC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1OC	REAL300007725235	0	37	-1.0	-48.50	325.13	3.68	-44.82
O=C([O-])C1CCCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007725236	0	44	-1.0	-49.45	333.42	5.46	-43.99
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725237	0	43	-1.0	-48.10	353.51	6.87	-41.23
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007725238	0	36	-1.0	-51.71	317.87	5.72	-45.99
COC1=CC(F)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300007725239	0	36	-1.0	-50.09	311.82	4.54	-45.55
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007725240	0	36	-1.0	-48.23	319.58	4.64	-43.59
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725241	0	38	-1.0	-49.26	315.32	4.85	-44.41
CN1C=CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007725242	0	39	-1.0	-54.35	327.09	6.74	-47.61
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300007725243	0	41	-1.0	-49.88	351.82	5.47	-44.41
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725244	0	45	-1.0	-50.36	362.45	7.27	-43.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007725245	0	43	-1.0	-48.56	362.81	7.83	-40.73
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725246	0	38	-1.0	-56.35	306.56	6.63	-49.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007725247	0	33	-1.0	-52.79	311.84	3.88	-48.91
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725248	0	43	-1.0	-48.76	357.80	6.61	-42.15
CCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007725249	0	42	-1.0	-50.89	337.59	5.26	-45.63
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300007725250	0	36	-1.0	-58.62	300.19	3.90	-54.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007725251	0	38	-1.0	-48.37	336.73	7.78	-40.59
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300007725252	0	42	-1.0	-49.92	363.86	8.91	-41.01
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007725253	0	31	-1.0	-53.48	301.02	2.91	-50.57
CCC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300007725254	0	38	-1.0	-47.26	333.19	6.87	-40.39
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725255	0	45	-1.0	-47.51	360.20	6.15	-41.36
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007725256	0	29	-1.0	-47.36	282.90	4.52	-42.84
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007725257	0	46	-1.0	-53.16	373.09	5.36	-47.80
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007725258	0	38	-1.0	-50.42	324.14	7.42	-43.00
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725259	0	40	-1.0	-50.30	320.49	2.56	-47.74
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007725260	0	39	-1.0	-51.54	311.91	7.07	-44.47
CC1(C)CCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300007725261	0	43	-1.0	-47.88	322.18	4.89	-42.99
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007725262	0	47	-1.0	-50.40	375.98	5.37	-45.03
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725263	0	35	-1.0	-47.97	311.25	2.74	-45.23
COC1=NC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007725264	0	38	-1.0	-47.51	321.44	2.41	-45.10
CC(C)CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007725265	0	41	-1.0	-48.26	340.77	5.08	-43.18
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725266	0	41	-1.0	-49.99	329.24	4.47	-45.52
O=C([O-])C1CCCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007725267	0	42	-1.0	-50.56	327.06	2.13	-48.43
COCC1=CC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=NO1	REAL300007725268	0	38	-1.0	-52.27	328.47	2.91	-49.36
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CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)N=C1	REAL300007725270	0	43	-1.0	-49.83	347.19	5.36	-44.47
CC(C)N1N=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725271	0	38	-1.0	-46.87	312.20	4.12	-42.75
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CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725280	0	40	-1.0	-59.68	328.60	0.68	-59.00
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COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)N=C1	REAL300007725285	0	35	-1.0	-50.08	300.20	2.33	-47.75
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725286	0	38	-1.0	-48.26	333.61	3.24	-45.02
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CCOC1=CC=CN=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007725288	0	38	-1.0	-55.60	319.90	4.13	-51.47
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COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C(C)=C1C	REAL300007725318	0	45	-1.0	-43.74	368.05	7.69	-36.05
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CCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1C	REAL300007725322	0	44	-1.0	-53.22	366.63	7.05	-46.17
CC(C)N1C=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=N1	REAL300007725323	0	41	-1.0	-42.99	361.00	6.64	-36.35
CC(C)CN1C=NC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300007725324	0	44	-1.0	-60.07	377.77	8.38	-51.69
CC(C)N1C=NC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300007725325	0	41	-1.0	-58.85	356.45	7.61	-51.24
CC(C)C1=NC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=CN1	REAL300007725326	0	41	-1.0	-59.61	357.03	5.58	-54.03
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725327	0	47	-1.0	-53.20	373.69	10.19	-43.01
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COC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725333	0	39	-1.0	-45.39	345.49	7.49	-37.90
CCC(C)CS(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725334	0	40	-1.0	-40.05	333.30	7.41	-32.64
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CC(COC1CCCC1)CS(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725340	0	51	-1.0	-53.95	417.55	8.72	-45.23
CCOCC(C)CS(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725341	0	44	-1.0	-39.60	369.87	6.84	-32.76
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CC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300007725409	0	41	-1.0	-42.98	345.25	8.51	-34.47
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1C	REAL300007725410	0	41	-1.0	-44.13	354.89	8.69	-35.44
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COC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725417	0	39	-1.0	-46.00	339.11	7.42	-38.58
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COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1OC	REAL300007725425	0	43	-1.0	-51.60	370.03	6.42	-45.18
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CC(C)CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300007725430	0	50	-1.0	-51.07	414.74	10.73	-40.34
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CC1=CC2=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)=C2N=C1	REAL300007725432	0	43	-1.0	-50.51	372.22	9.28	-41.23
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300007725433	0	41	-1.0	-61.50	369.55	8.43	-53.07
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COC1=C(C)C=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1C	REAL300007725463	0	45	-1.0	-50.36	385.57	8.11	-42.25
CC(C)COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300007725464	0	48	-1.0	-50.76	403.94	8.92	-41.84
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CN1N=C(C2CC2)C=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725633	0	42	-1.0	-44.61	364.38	7.15	-37.46
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C(C)=C1F	REAL300007725634	0	44	-1.0	-39.61	358.44	9.41	-30.20
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COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300007725664	0	36	-1.0	-50.53	336.60	5.63	-44.90
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CN(CCF)N=C1	REAL300007725665	0	38	-1.0	-40.77	348.92	6.25	-34.52
CCOCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300007725666	0	45	-1.0	-52.68	388.22	7.91	-44.77
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007725667	0	48	-1.0	-43.63	402.64	8.50	-35.13
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CC=CC=C1CF	REAL300007725668	0	38	-1.0	-55.80	341.79	8.49	-47.31
CC1=CN=CC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300007725669	0	37	-1.0	-51.26	327.74	6.09	-45.17
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C2=CC=CC=C12	REAL300007725670	0	44	-1.0	-58.16	378.79	10.40	-47.76
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007725671	0	39	-1.0	-49.95	349.32	8.46	-41.49
CCOCCCS(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725672	0	41	-1.0	-40.20	354.87	6.05	-34.15
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007725673	0	40	-1.0	-42.87	357.74	1.44	-41.43
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007725674	0	38	-1.0	-52.37	338.84	7.52	-44.85
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1CCC(F)(F)CC1	REAL300007725675	0	41	-1.0	-51.76	345.50	7.66	-44.10
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007725676	0	37	-1.0	-49.11	346.86	6.95	-42.16
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)CCOC1CCOC1	REAL300007725677	0	43	-1.0	-52.57	371.56	4.55	-48.02
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)CC1COCCO1	REAL300007725678	0	40	-1.0	-41.06	342.73	4.71	-36.35
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007725679	0	52	-1.0	-42.05	390.92	10.40	-31.65
CC1(C)COC(CS(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300007725680	0	45	-1.0	-44.52	373.93	6.83	-37.69
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007725681	0	38	-1.0	-44.77	344.92	3.22	-41.55
CC(C)(CS(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C(C)(F)F	REAL300007725682	0	43	-1.0	-44.87	352.99	7.99	-36.88
CS(=O)(=O)CCCCS(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725683	0	43	-1.0	-52.91	384.48	4.34	-48.57
CC1(C)CCC(CS(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)OC1	REAL300007725684	0	48	-1.0	-55.39	391.01	7.70	-47.69
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007725685	0	45	-1.0	-53.06	387.27	9.66	-43.40
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007725686	0	39	-1.0	-44.96	361.89	6.57	-38.39
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007725687	0	44	-1.0	-58.88	369.28	4.78	-54.10
COCCC1(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300007725688	0	42	-1.0	-56.96	355.90	6.56	-50.40
CCN1N=CC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300007725689	0	37	-1.0	-51.72	334.10	3.99	-47.73
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007725690	0	48	-1.0	-53.49	378.04	9.23	-44.26
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007725691	0	39	-1.0	-42.51	359.99	8.89	-33.62
COC1=CC=C(C=C(C)S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300007725692	0	46	-1.0	-52.57	393.28	8.37	-44.20
CC1=COC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300007725693	0	35	-1.0	-49.71	315.50	5.88	-43.83
COC1=CSC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1OC	REAL300007725694	0	40	-1.0	-53.58	365.43	5.24	-48.34
CN1N=C2C=CC=CC2=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725695	0	41	-1.0	-45.77	358.73	7.43	-38.34
CN1C=CC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)=CC=C21	REAL300007725696	0	42	-1.0	-48.23	369.72	9.32	-38.91
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725697	0	41	-1.0	-62.80	359.75	9.24	-53.56
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300007725698	0	46	-1.0	-43.25	399.69	9.19	-34.06
CCN1C=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C(C2CC2)=N1	REAL300007725699	0	45	-1.0	-46.53	386.32	7.91	-38.62
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C2=NSN=C2C=C1	REAL300007725700	0	39	-1.0	-48.68	348.24	6.53	-42.15
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007725701	0	34	-1.0	-54.48	338.24	5.19	-49.29
CC1=NN(C2CCCC2)C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300007725702	0	48	-1.0	-43.51	399.49	8.55	-34.96
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=C(Cl)OC=C1	REAL300007725703	0	32	-1.0	-51.48	313.32	5.81	-45.67
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CC(Cl)=CS1	REAL300007725704	0	32	-1.0	-48.08	321.82	6.70	-41.38
CN1N=C2CCOCC2=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725705	0	43	-1.0	-44.78	364.05	5.17	-39.61
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007725706	0	42	-1.0	-53.93	349.13	8.92	-45.01
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725707	0	38	-1.0	-50.84	356.64	5.21	-45.63
COC1=NC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1C	REAL300007725708	0	41	-1.0	-44.23	363.32	4.97	-39.26
CC(C)CN1C=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=N1	REAL300007725709	0	44	-1.0	-41.89	383.59	7.65	-34.24
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725710	0	44	-1.0	-45.51	373.83	7.09	-38.42
CC(C)N1N=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300007725711	0	41	-1.0	-42.14	354.52	6.61	-35.53
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007725712	0	42	-1.0	-49.04	374.69	7.62	-41.42
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007725713	0	42	-1.0	-46.76	367.72	8.44	-38.32
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=NN1C(C)C	REAL300007725714	0	44	-1.0	-48.00	374.36	6.77	-41.23
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C2=NC=CC=C12	REAL300007725715	0	43	-1.0	-63.08	371.45	9.05	-54.03
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007725716	0	39	-1.0	-46.23	345.18	7.35	-38.88
O=C([O-])CN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CN=CS1	REAL300007725717	0	31	-1.0	-50.55	299.53	4.32	-46.23
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300007725718	0	48	-1.0	-44.19	393.39	9.15	-35.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300007725719	0	31	-1.0	-54.15	278.37	5.22	-48.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007725720	0	32	-1.0	-56.70	294.70	4.83	-51.87
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007725721	0	34	-1.0	-53.31	315.32	1.96	-51.35
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007725722	0	32	-1.0	-43.93	300.39	4.22	-39.71
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300007725723	0	39	-1.0	-46.64	319.28	4.01	-42.63
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007725724	0	44	-1.0	-53.09	355.34	8.20	-44.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007725725	0	34	-1.0	-54.06	297.96	3.54	-50.52
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007725726	0	28	-1.0	-56.03	259.05	4.63	-51.40
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007725727	0	28	-1.0	-44.07	275.71	5.05	-39.02
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300007725728	0	33	-1.0	-53.28	279.74	6.44	-46.84
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007725729	0	34	-1.0	-43.29	314.38	6.44	-36.85
CCN(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007725730	0	38	-1.0	-66.54	333.18	0.72	-65.82
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300007725731	0	39	-1.0	-53.15	335.92	6.23	-46.92
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007725732	0	37	-1.0	-55.89	339.65	2.65	-53.24
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300007725733	0	38	-1.0	-44.89	306.35	4.75	-40.14
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007725734	0	33	-1.0	-46.35	308.55	5.03	-41.32
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007725735	0	31	-1.0	-56.57	298.39	5.75	-50.82
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007725736	0	45	-1.0	-50.99	392.63	3.63	-47.36
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300007725737	0	37	-1.0	-51.66	320.65	5.62	-46.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007725738	0	41	-1.0	-62.75	358.07	7.42	-55.33
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007725739	0	36	-1.0	-47.81	320.86	3.84	-43.97
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007725740	0	34	-1.0	-51.70	318.26	5.44	-46.26
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300007725741	0	36	-1.0	-44.48	316.28	3.80	-40.68
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(Br)C=C1OC	REAL300007725742	0	36	-1.0	-45.43	327.36	4.28	-41.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300007725743	0	31	-1.0	-53.43	292.98	5.58	-47.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007725744	0	34	-1.0	-41.60	292.88	6.45	-35.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007725745	0	38	-1.0	-53.88	348.93	8.43	-45.45
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007725746	0	33	-1.0	-36.52	302.59	6.13	-30.39
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OCCOC)C(Cl)=C1	REAL300007725747	0	39	-1.0	-42.86	375.40	5.16	-37.70
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007725748	0	32	-1.0	-53.06	298.94	4.03	-49.03
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007725749	0	35	-1.0	-46.93	314.34	6.07	-40.86
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300007725750	0	43	-1.0	-54.78	348.85	5.74	-49.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300007725751	0	39	-1.0	-51.35	332.58	4.03	-47.32
O=C([O-])C1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CCOCC1	REAL300007727001	0	39	-1.0	-46.22	315.02	-1.22	-47.44
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CCOCC1	REAL300007727002	0	38	-1.0	-40.64	311.23	2.33	-38.31
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C)=C1	REAL300007727003	0	43	-1.0	-56.54	328.03	3.32	-53.22
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727004	0	41	-1.0	-58.65	338.89	-1.44	-60.09
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)F)CCOCC1	REAL300007727005	0	37	-1.0	-44.72	307.96	2.22	-42.50
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300007727006	0	37	-1.0	-40.85	303.15	3.17	-37.68
CCCCCCCS(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727007	0	44	-1.0	-39.06	337.02	4.00	-35.06
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CCOCC1	REAL300007727008	0	39	-1.0	-40.23	328.17	4.11	-36.12
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727009	0	44	-1.0	-56.66	331.72	4.29	-52.37
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)N=C1C	REAL300007727010	0	39	-1.0	-52.73	314.75	2.23	-50.50
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCO3)CCOCC1	REAL300007727011	0	39	-1.0	-45.88	313.04	1.81	-44.07
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)CCOCC1	REAL300007727012	0	38	-1.0	-45.57	305.26	2.55	-43.02
O=C([O-])C1(NS(=O)(=O)CC2CCCCO2)CCOCC1	REAL300007727013	0	40	-1.0	-41.27	303.03	1.74	-39.53
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(F)(F)F	REAL300007727014	0	39	-1.0	-52.87	316.71	3.91	-48.96
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CCOCC1	REAL300007727015	0	39	-1.0	-45.82	342.46	3.14	-42.68
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCOCC1	REAL300007727016	0	42	-1.0	-54.83	327.13	3.98	-50.85
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=C12	REAL300007727017	0	41	-1.0	-45.66	329.36	1.84	-43.82
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727018	0	40	-1.0	-44.47	334.33	3.01	-41.46
COCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727019	0	40	-1.0	-56.98	317.83	2.15	-54.83
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)=C2O1	REAL300007727020	0	44	-1.0	-46.10	343.90	3.80	-42.30
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300007727021	0	36	-1.0	-42.85	290.59	0.72	-42.13
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Cl)CCOCC1	REAL300007727022	0	36	-1.0	-43.43	302.88	3.58	-39.85
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCOCC1	REAL300007727023	0	40	-1.0	-38.21	335.18	2.93	-35.28
CC(C1CC1)N(C)S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727024	0	41	-1.0	-57.72	296.71	2.58	-55.14
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CCOCC1	REAL300007727025	0	41	-1.0	-57.08	321.87	2.94	-54.14
O=C([O-])C1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCOCC1	REAL300007727026	0	36	-1.0	-44.87	316.35	4.01	-40.86
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)=CC=C2O1	REAL300007727027	0	41	-1.0	-56.02	319.21	2.99	-53.03
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727028	0	45	-1.0	-53.96	312.72	5.31	-48.65
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727029	0	45	-1.0	-62.92	348.98	1.24	-61.68
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CCOCC1	REAL300007727030	0	39	-1.0	-62.40	331.02	3.69	-58.71
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=C2)=CO1	REAL300007727031	0	42	-1.0	-45.76	339.29	1.23	-44.53
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C(F)(F)F)=N1	REAL300007727032	0	36	-1.0	-40.44	308.37	0.92	-39.52
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(C(F)(F)F)=N1	REAL300007727032	1	35	-2.0	-125.91	307.17	1.72	-124.19
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C(C)O1	REAL300007727033	0	36	-1.0	-42.71	288.41	1.72	-40.99
CC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727034	0	33	-1.0	-40.26	278.29	2.03	-38.23
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300007727035	0	36	-1.0	-59.22	294.44	3.12	-56.10
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300007727035	1	35	-2.0	-129.67	300.08	3.39	-126.28
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCOC3=C2)CCOCC1	REAL300007727036	0	36	-1.0	-53.21	288.33	1.05	-52.16
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300007727037	0	36	-1.0	-40.58	290.19	-1.18	-41.76
O=C([O-])C1(NS(=O)(=O)C2=CN=C3CCCN23)CCOCC1	REAL300007727038	0	37	-1.0	-48.94	293.35	1.87	-47.07
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)SC=C1	REAL300007727039	0	33	-1.0	-40.09	273.58	2.12	-37.97
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CCOCC1	REAL300007727040	0	41	-1.0	-56.78	315.97	3.01	-53.77
O=C([O-])C1(NS(=O)(=O)C2CC3=CC=CC=C3C2)CCOCC1	REAL300007727041	0	40	-1.0	-42.10	309.26	4.13	-37.97
CC1=CC=C(N2C=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=N2)C=C1	REAL300007727042	0	43	-1.0	-46.95	346.62	3.96	-42.99
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)=CC(Cl)=C2O1	REAL300007727043	0	41	-1.0	-52.91	336.51	3.50	-49.41
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC=C1[N+](=O)[O-]	REAL300007727044	0	38	-1.0	-51.12	306.81	3.62	-47.50
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300007727045	0	44	-1.0	-50.12	352.33	2.88	-47.24
CC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727046	0	36	-1.0	-43.30	291.71	0.30	-43.00
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)N(C)N=C1	REAL300007727047	0	36	-1.0	-51.27	278.85	0.92	-50.35
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CSC3=C2)CCOCC1	REAL300007727048	0	35	-1.0	-54.96	294.22	1.75	-53.21
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300007727049	0	41	-1.0	-43.09	313.76	2.53	-40.56
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=C2C=C1	REAL300007727050	0	42	-1.0	-57.32	329.60	5.30	-52.02
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)SC=C1	REAL300007727051	0	34	-1.0	-43.77	284.99	1.33	-42.44
CN(C)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727052	0	41	-1.0	-58.92	314.80	2.81	-56.11
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCC3)CCOCC1	REAL300007727053	0	38	-1.0	-44.44	304.93	1.89	-42.55
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CCOCC1	REAL300007727054	0	38	-1.0	-45.10	312.78	2.46	-42.64
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCOC3=C2)CCOCC1	REAL300007727055	0	38	-1.0	-60.98	298.11	2.22	-58.76
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)CCOCC1	REAL300007727056	0	39	-1.0	-39.37	327.66	4.42	-34.95
CN1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=C21	REAL300007727057	0	45	-1.0	-56.82	336.50	2.93	-53.89
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCOCC1	REAL300007727058	0	35	-1.0	-37.80	298.51	1.41	-36.39
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727059	0	41	-1.0	-64.58	316.17	2.67	-61.91
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727060	0	41	-1.0	-51.66	321.71	4.31	-47.35
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1[N+](=O)[O-]	REAL300007727061	0	41	-1.0	-73.01	317.94	5.42	-67.59
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1[N+](=O)[O-]	REAL300007727062	0	41	-1.0	-43.64	326.44	4.10	-39.54
COC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300007727063	0	43	-1.0	-41.91	340.44	3.20	-38.71
COC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727064	0	36	-1.0	-55.46	287.15	-0.15	-55.61
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300007727065	0	42	-1.0	-42.15	336.22	3.96	-38.19
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)CCOCC1	REAL300007727066	0	40	-1.0	-41.74	311.32	4.26	-37.48
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC(OC)=C1	REAL300007727067	0	41	-1.0	-45.63	321.95	0.76	-44.87
O=C([O-])C1(NS(=O)(=O)CCC2CCCCC2)CCOCC1	REAL300007727068	0	45	-1.0	-40.10	331.69	4.08	-36.02
CC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300007727069	0	42	-1.0	-41.50	332.33	4.58	-36.92
CC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1)OCO2	REAL300007727070	0	39	-1.0	-58.52	302.69	1.77	-56.75
O=C([O-])C1(NS(=O)(=O)C2=C3OC=CC3=CC=C2)CCOCC1	REAL300007727071	0	36	-1.0	-46.65	297.88	2.52	-44.13
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC=C1Cl	REAL300007727072	0	37	-1.0	-53.14	307.83	2.26	-50.88
O=C([O-])C1(NS(=O)(=O)CCC2CCCC2)CCOCC1	REAL300007727073	0	42	-1.0	-39.64	315.61	3.52	-36.12
CN1C=NC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)=CC=C21	REAL300007727074	0	39	-1.0	-65.96	310.58	3.74	-62.22
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C2=NC=CC=C2C=C1	REAL300007727075	0	41	-1.0	-69.95	314.12	4.35	-65.60
CC1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=C2O1	REAL300007727076	0	38	-1.0	-57.00	305.96	0.05	-56.95
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1CC	REAL300007727077	0	45	-1.0	-56.48	339.33	4.95	-51.53
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727078	0	41	-1.0	-37.16	322.62	4.35	-32.81
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727079	0	43	-1.0	-61.57	324.04	4.01	-57.56
CC1=C(C)SC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727080	0	36	-1.0	-42.00	297.89	2.77	-39.23
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727081	0	34	-1.0	-39.32	288.77	-0.55	-39.87
CC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300007727082	0	32	-1.0	-40.63	273.60	0.13	-40.50
CCC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300007727083	0	35	-1.0	-40.59	295.05	0.89	-39.70
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(N)=NO1	REAL300007727084	0	34	-1.0	-47.80	268.86	-0.82	-48.62
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(N)=NO1	REAL300007727084	1	33	-2.0	-114.00	278.51	0.33	-113.67
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300007727085	0	40	-1.0	-55.15	310.64	2.20	-52.95
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300007727086	0	36	-1.0	-41.40	294.61	2.96	-38.44
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCOCC1	REAL300007727087	0	39	-1.0	-62.73	307.72	3.63	-59.10
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCO3)CCOCC1	REAL300007727088	0	36	-1.0	-42.94	296.59	0.84	-42.10
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC(C)=C1F	REAL300007727089	0	39	-1.0	-39.64	310.00	3.50	-36.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCOCC1	REAL300007727090	0	40	-1.0	-65.45	318.29	2.14	-63.31
O=C([O-])C1(NS(=O)(=O)CCCOCC2=CC=CC=C2)CCOCC1	REAL300007727091	0	46	-1.0	-40.04	366.45	3.96	-36.08
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)CCOCC1	REAL300007727092	0	37	-1.0	-45.98	308.04	2.18	-43.80
O=C([O-])C1(NS(=O)(=O)C2=C3N=CSC3=CC=C2)CCOCC1	REAL300007727093	0	35	-1.0	-61.06	294.20	1.73	-59.33
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300007727094	0	35	-1.0	-41.42	279.62	0.94	-40.48
CC1=NC(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CS1	REAL300007727095	0	35	-1.0	-45.12	296.02	0.80	-44.32
COC(CS(=O)(=O)NC1(C(=O)[O-])CCOCC1)C1CC1	REAL300007727096	0	40	-1.0	-40.76	306.31	1.80	-38.96
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C=C2)CCOCC1	REAL300007727097	0	36	-1.0	-38.79	305.91	3.66	-35.13
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC=C1Cl	REAL300007727098	0	36	-1.0	-53.16	297.75	3.48	-49.68
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCOCC1	REAL300007727099	0	39	-1.0	-59.92	310.39	3.36	-56.56
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=C2)=N1	REAL300007727100	0	42	-1.0	-44.01	349.13	3.63	-40.38
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCC3)CCOCC1	REAL300007727101	0	41	-1.0	-45.87	322.04	3.35	-42.52
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCOCC1	REAL300007727102	0	40	-1.0	-62.79	327.36	0.24	-62.55
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)CCOCC1	REAL300007727103	0	42	-1.0	-56.52	323.11	2.87	-53.65
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CCOCC1	REAL300007727104	0	36	-1.0	-41.06	309.21	3.63	-37.43
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727105	0	46	-1.0	-60.90	353.20	4.13	-56.77
COC(CS(=O)(=O)NC1(C(=O)[O-])CCOCC1)C1CCCC1	REAL300007727106	0	46	-1.0	-41.17	340.95	2.68	-38.49
COC(CS(=O)(=O)NC1(C(=O)[O-])CCOCC1)C1CCCCC1	REAL300007727107	0	49	-1.0	-41.38	355.96	3.29	-38.09
CC1(C)CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)CO1	REAL300007727108	0	40	-1.0	-41.07	307.93	0.87	-40.20
CCOC(CS(=O)(=O)NC1(C(=O)[O-])CCOCC1)C1CC1	REAL300007727109	0	43	-1.0	-41.04	328.19	2.95	-38.09
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(C)C	REAL300007727110	0	52	-1.0	-56.42	393.77	5.45	-50.97
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CN1CC1CC1	REAL300007727111	0	46	-1.0	-65.70	363.21	4.82	-60.88
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CCOCC1	REAL300007727112	0	36	-1.0	-41.66	303.35	1.79	-39.87
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C)=C1[N+](=O)[O-]	REAL300007727113	0	41	-1.0	-52.69	325.43	4.66	-48.03
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727114	0	40	-1.0	-52.56	307.61	2.33	-50.23
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCOCC1	REAL300007727115	0	46	-1.0	-50.95	362.20	5.03	-45.92
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727116	0	36	-1.0	-44.47	300.78	1.22	-43.25
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CCOCC1	REAL300007727117	0	44	-1.0	-59.32	363.97	6.57	-52.75
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCOCC1	REAL300007727118	0	43	-1.0	-48.86	335.43	5.52	-43.34
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C(C)C=C1OC	REAL300007727119	0	46	-1.0	-44.54	354.61	3.61	-40.93
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=N1	REAL300007727120	0	34	-2.0	-143.73	298.67	1.65	-142.08
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300007727120	1	35	-1.0	-55.43	298.45	1.19	-54.24
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C2=CC=CC=C2C=C1	REAL300007727121	0	42	-1.0	-57.55	314.60	5.33	-52.22
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300007727122	0	42	-1.0	-53.68	331.40	0.83	-52.85
COC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727123	0	37	-1.0	-42.21	302.09	2.16	-40.05
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(C)C	REAL300007727124	0	49	-1.0	-56.81	372.29	4.65	-52.16
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1F	REAL300007727125	0	45	-1.0	-52.45	340.49	4.65	-47.80
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCOCC1	REAL300007727126	0	52	-1.0	-41.65	391.01	6.94	-34.71
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727127	0	43	-1.0	-52.35	321.30	2.63	-49.72
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C(C)(C)C)=N1	REAL300007727128	0	45	-1.0	-49.52	340.91	2.70	-46.82
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)CCOCC1	REAL300007727129	0	43	-1.0	-45.28	332.14	2.51	-42.77
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727130	0	36	-1.0	-36.84	293.21	1.03	-35.81
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727131	0	40	-1.0	-44.75	324.01	2.56	-42.19
C=CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300007727132	0	43	-1.0	-56.46	339.49	5.17	-51.29
CCC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727133	0	39	-1.0	-54.22	307.12	1.22	-53.00
CCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(C)C	REAL300007727134	0	55	-1.0	-54.51	415.24	6.22	-48.29
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCOCC1	REAL300007727135	0	37	-1.0	-55.16	315.00	4.39	-50.77
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(C)(C)C	REAL300007727136	0	55	-1.0	-54.77	406.29	6.10	-48.67
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1CC	REAL300007727137	0	49	-1.0	-54.75	376.83	4.90	-49.85
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727138	0	39	-1.0	-37.75	311.43	4.20	-33.55
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727139	0	39	-1.0	-38.86	326.29	4.31	-34.55
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2Cl)CCOCC1	REAL300007727140	0	37	-1.0	-56.56	312.52	4.30	-52.26
CCCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727141	0	42	-1.0	-40.78	320.98	4.71	-36.07
COC1=NC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727142	0	36	-1.0	-43.32	292.35	-0.34	-43.66
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727143	0	49	-1.0	-58.01	373.64	4.84	-53.17
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)CCOCC1	REAL300007727144	0	38	-1.0	-44.42	305.36	2.65	-41.77
CC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)N1C	REAL300007727145	0	36	-1.0	-50.54	278.91	1.62	-48.92
CC1=CSC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727146	0	36	-1.0	-53.30	283.56	2.80	-50.50
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCC3)N=C2)CCOCC1	REAL300007727147	0	40	-1.0	-42.98	314.49	1.82	-41.16
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCC2)CCOCC1	REAL300007727148	0	40	-1.0	-42.99	311.46	2.38	-40.61
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CCC2)CCOCC1	REAL300007727149	0	43	-1.0	-51.39	326.05	2.90	-48.49
CC1(C)COC2=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=NN2C1	REAL300007727150	0	44	-1.0	-47.31	342.60	0.28	-47.03
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCOCC1	REAL300007727151	0	39	-1.0	-44.81	331.85	3.20	-41.61
O=C([O-])C1(NS(=O)(=O)C2=CN=C3CCCCN32)CCOCC1	REAL300007727152	0	40	-1.0	-50.87	313.12	2.42	-48.45
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C	REAL300007727153	0	49	-1.0	-58.89	358.96	4.31	-54.58
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727154	0	43	-1.0	-60.34	336.39	3.96	-56.38
CC1CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)=C2O1	REAL300007727155	0	41	-1.0	-61.37	320.48	3.05	-58.32
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300007727156	0	41	-1.0	-42.14	333.64	1.95	-40.19
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCOCC1	REAL300007727157	0	39	-1.0	-58.65	315.85	2.86	-55.79
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727158	0	38	-1.0	-63.56	301.69	1.42	-62.14
CCN1N=NC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727159	0	35	-1.0	-50.39	278.16	-0.36	-50.75
O=C([O-])C1(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CCOCC1	REAL300007727160	0	42	-1.0	-57.36	306.85	3.03	-54.33
O=C([O-])C1(NS(=O)(=O)C2=CC3=NON=C3C=C2)CCOCC1	REAL300007727161	0	34	-1.0	-48.83	277.21	1.16	-47.67
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3S2)CCOCC1	REAL300007727162	0	36	-1.0	-44.81	303.43	3.77	-41.04
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727163	0	40	-1.0	-44.03	317.26	2.13	-41.90
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C)=C1F	REAL300007727164	0	42	-1.0	-56.60	313.42	4.61	-51.99
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1OC	REAL300007727165	0	41	-1.0	-45.95	325.59	2.02	-43.93
O=C([O-])C1(NS(=O)(=O)C2=COC3=CC=CC=C32)CCOCC1	REAL300007727166	0	36	-1.0	-44.93	298.97	2.41	-42.52
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C2CCCC2)=N1	REAL300007727167	0	46	-1.0	-55.03	347.86	3.02	-52.01
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727168	0	45	-1.0	-57.72	339.46	2.75	-54.97
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C)=N1	REAL300007727169	0	45	-1.0	-43.00	353.07	2.73	-40.27
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C2CC2)=N1	REAL300007727170	0	40	-1.0	-55.81	320.39	2.06	-53.75
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)CCOCC1	REAL300007727171	0	37	-1.0	-44.05	302.20	1.73	-42.32
CN1N=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=CC=C21	REAL300007727172	0	38	-1.0	-48.91	314.22	0.44	-48.47
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1Br	REAL300007727173	0	39	-1.0	-42.81	325.37	4.11	-38.70
CC1(C)CCCN(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300007727174	0	44	-1.0	-54.92	329.62	2.92	-52.00
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)CCOCC1	REAL300007727175	0	39	-1.0	-52.16	330.18	3.57	-48.59
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C2CCC2)=N1	REAL300007727176	0	43	-1.0	-55.59	332.64	2.50	-53.09
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727177	0	51	-1.0	-60.13	369.27	6.14	-53.99
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)CCOCC1	REAL300007727178	0	43	-1.0	-44.31	338.54	2.82	-41.49
O=C([O-])C1(NS(=O)(=O)C2=C(C3CC3)C=CS2)CCOCC1	REAL300007727179	0	37	-1.0	-43.78	304.16	3.24	-40.54
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)CCOCC1	REAL300007727180	0	44	-1.0	-42.47	363.85	5.14	-37.33
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C2=NC=CC=C2C=C1	REAL300007727181	0	42	-1.0	-72.04	332.50	3.74	-68.30
CCCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727182	0	42	-1.0	-58.11	326.76	4.61	-53.50
CN1N=C2CCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727183	0	40	-1.0	-45.09	309.61	1.83	-43.26
O=C([O-])C1(NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)CCOCC1	REAL300007727184	0	39	-1.0	-56.37	282.27	2.30	-54.07
CC1=CC=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727185	0	39	-1.0	-55.91	288.09	3.83	-52.08
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727186	0	42	-1.0	-49.44	302.72	1.89	-47.55
CC(C)(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300007727187	0	42	-1.0	-45.27	329.08	1.88	-43.39
O=C([O-])C1(NS(=O)(=O)C2=CNN=C2C2CCC2)CCOCC1	REAL300007727188	0	40	-1.0	-53.72	311.43	1.26	-52.46
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CN=C1C(F)(F)F	REAL300007727189	0	38	-1.0	-40.66	314.32	1.93	-38.73
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CCOCC1	REAL300007727190	0	36	-1.0	-36.64	308.43	3.25	-33.39
CC1=NN(C)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727191	0	36	-1.0	-49.66	281.55	0.83	-48.83
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1C	REAL300007727192	0	39	-1.0	-43.54	300.71	3.36	-40.18
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727193	0	44	-1.0	-70.11	346.87	4.42	-65.69
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)CCOCC1	REAL300007727194	0	44	-1.0	-59.03	330.04	5.48	-53.55
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CCOCC1	REAL300007727195	0	39	-1.0	-54.30	324.37	3.47	-50.83
O=C([O-])C1(NS(=O)(=O)N2CC3=CC=CC=C3C2)CCOCC1	REAL300007727196	0	39	-1.0	-55.54	304.71	3.57	-51.97
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=C2COCC3)CCOCC1	REAL300007727197	0	40	-1.0	-45.79	318.72	0.76	-45.03
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2C(F)(F)F)CCOCC1	REAL300007727198	0	33	-1.0	-37.52	286.08	2.57	-34.95
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)CCOCC1	REAL300007727199	0	40	-1.0	-58.19	311.49	4.50	-53.69
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=CS1	REAL300007727200	0	34	-1.0	-41.30	289.72	0.98	-40.32
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCCC2)CCOCC1	REAL300007727201	0	43	-1.0	-50.97	324.49	3.04	-47.93
CCC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727202	0	42	-1.0	-52.27	323.79	2.39	-49.88
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)O1	REAL300007727203	0	36	-1.0	-57.79	290.84	2.34	-55.45
CN(C1CCCCCC1)S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727204	0	47	-1.0	-57.74	331.06	3.77	-53.97
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C2CCOCC2)=N1	REAL300007727205	0	47	-1.0	-55.45	357.83	1.25	-54.20
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727206	0	39	-1.0	-56.19	315.99	3.95	-52.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)CCOCC1	REAL300007727207	0	37	-1.0	-55.66	301.53	1.97	-53.69
O=C([O-])C1(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CCOCC1	REAL300007727208	0	48	-1.0	-56.97	347.96	4.89	-52.08
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300007727209	0	34	-1.0	-40.56	288.66	0.79	-39.77
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C2=NC=CC=C12	REAL300007727210	0	44	-1.0	-69.56	332.28	4.96	-64.60
O=C([O-])C1(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)CCOCC1	REAL300007727211	0	41	-1.0	-56.23	316.61	2.68	-53.55
O=C([O-])C1(NS(=O)(=O)C2=CN(CCF)N=C2)CCOCC1	REAL300007727212	0	36	-1.0	-39.73	297.18	0.86	-38.87
CCOCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727213	0	43	-1.0	-56.90	339.69	3.11	-53.79
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727214	0	43	-1.0	-49.99	338.89	3.76	-46.23
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)CCOCC1	REAL300007727215	0	46	-1.0	-45.06	351.05	3.12	-41.94
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CCOCC1	REAL300007727216	0	44	-1.0	-54.81	352.20	5.30	-49.51
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CF)CCOCC1	REAL300007727217	0	36	-1.0	-57.45	278.82	3.13	-54.32
CC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727218	0	35	-1.0	-40.98	279.47	0.96	-40.02
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC(C)=C1Br	REAL300007727219	0	39	-1.0	-39.71	320.67	3.91	-35.80
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C2=CC=CC=C12	REAL300007727220	0	42	-1.0	-47.59	327.78	4.98	-42.61
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C2=CC=CC=C2)=N1	REAL300007727221	0	43	-1.0	-57.37	333.63	3.40	-53.97
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(F)C=C2)CCOCC1	REAL300007727222	0	37	-1.0	-55.89	304.68	3.93	-51.96
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)CCOCC1	REAL300007727223	0	37	-1.0	-55.11	319.57	4.48	-50.63
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)CCOCC1	REAL300007727224	0	37	-1.0	-55.24	319.56	4.49	-50.75
O=C([O-])C1(NS(=O)(=O)CCC2NC(=O)NC2=O)CCOCC1	REAL300007727225	0	38	-1.0	-38.79	309.51	-3.69	-42.48
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CC=CN23)CCOCC1	REAL300007727226	0	36	-1.0	-51.97	290.02	3.06	-48.91
O=C([O-])C1(NS(=O)(=O)C2CCC(F)(F)CC2)CCOCC1	REAL300007727227	0	39	-1.0	-36.00	300.33	2.65	-33.35
O=C([O-])C1(NS(=O)(=O)C2=CC=C3SC=NC3=C2)CCOCC1	REAL300007727228	0	35	-1.0	-45.61	293.94	1.55	-44.06
O=C([O-])C1(NS(=O)(=O)CCOC2CCOC2)CCOCC1	REAL300007727229	0	41	-1.0	-45.18	320.50	-0.40	-45.58
O=C([O-])C1(NS(=O)(=O)CC2COCCO2)CCOCC1	REAL300007727230	0	38	-1.0	-40.59	293.88	-0.46	-41.05
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C(C2=CC=CC=C2)O1	REAL300007727231	0	42	-1.0	-54.02	345.06	1.55	-52.47
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C(C2=CC=CC=C2)O1	REAL300007727231	1	41	-2.0	-139.04	345.96	1.96	-137.08
O=C([O-])C1(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CCOCC1	REAL300007727232	0	50	-1.0	-41.30	342.65	5.27	-36.03
O=C([O-])C1(NS(=O)(=O)CCN2C=NN=N2)CCOCC1	REAL300007727233	0	34	-1.0	-49.79	280.46	0.28	-49.51
CC1(C)COC(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300007727234	0	43	-1.0	-41.76	325.64	2.04	-39.72
O=C([O-])C1(NS(=O)(=O)CC2CS(=O)(=O)C2)CCOCC1	REAL300007727235	0	36	-1.0	-42.68	296.39	-1.90	-44.58
CC(C)(CS(=O)(=O)NC1(C(=O)[O-])CCOCC1)C(C)(F)F	REAL300007727236	0	41	-1.0	-45.73	304.65	2.85	-42.88
CS(=O)(=O)CCCCS(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727237	0	41	-1.0	-52.97	336.16	-0.80	-53.77
CC1(C)CCC(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)OC1	REAL300007727238	0	46	-1.0	-41.55	340.66	2.43	-39.12
O=C([O-])C1(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CCOCC1	REAL300007727239	0	43	-1.0	-39.71	335.53	4.71	-35.00
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=NSN=C32)CCOCC1	REAL300007727240	0	37	-1.0	-47.55	313.65	1.44	-46.11
O=C([O-])C1(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CCOCC1	REAL300007727241	0	43	-1.0	-40.54	348.26	5.32	-35.22
O=C([O-])C1(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CCOCC1	REAL300007727242	0	42	-1.0	-42.99	318.70	0.27	-42.72
COCCC1(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300007727243	0	40	-1.0	-61.06	305.66	1.46	-59.60
CCN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300007727244	0	35	-1.0	-48.68	289.95	-0.73	-49.41
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=N1	REAL300007727244	1	34	-2.0	-124.79	291.17	-0.16	-124.95
O=C([O-])C1(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CCOCC1	REAL300007727245	0	46	-1.0	-40.10	333.23	4.41	-35.69
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)S2)CCOCC1	REAL300007727246	0	37	-1.0	-42.18	308.58	3.66	-38.52
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)=CC=C21	REAL300007727247	0	55	-1.0	-56.29	391.96	6.56	-49.73
COC1=CC=C(C=C(C)S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300007727248	0	44	-1.0	-42.26	345.94	3.31	-38.95
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727249	0	38	-1.0	-40.49	289.56	-0.74	-41.23
CCC1=NNC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727250	0	36	-1.0	-53.01	284.11	-0.07	-53.08
COC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1OC	REAL300007727251	0	38	-1.0	-40.70	316.27	0.93	-39.77
O=C([O-])C1(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCOCC1	REAL300007727252	0	45	-1.0	-57.28	319.58	3.39	-53.89
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727253	0	44	-1.0	-39.31	340.76	4.71	-34.60
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CCOCC1	REAL300007727254	0	37	-1.0	-56.96	299.07	3.36	-53.60
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(F)=C1	REAL300007727255	0	37	-1.0	-57.87	300.54	1.93	-55.94
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(F)=C1	REAL300007727255	1	36	-2.0	-132.45	308.31	2.54	-129.91
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CCOCC1	REAL300007727256	0	37	-1.0	-54.12	307.75	2.04	-52.08
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727257	0	39	-1.0	-54.86	304.20	2.53	-52.33
CN1C=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)=CC=C21	REAL300007727258	0	40	-1.0	-61.24	316.03	4.15	-57.09
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CCOCC1	REAL300007727259	0	42	-1.0	-54.34	341.15	2.88	-51.46
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727260	0	46	-1.0	-52.99	354.79	4.46	-48.53
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CCOCC1	REAL300007727261	0	44	-1.0	-60.64	352.10	5.30	-55.34
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727262	0	39	-1.0	-64.77	293.37	4.12	-60.65
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CCOCC1	REAL300007727263	0	34	-1.0	-41.17	311.11	0.82	-40.35
C=C(C)COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727264	0	44	-1.0	-61.59	345.94	4.02	-57.57
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C2CC2)=N1	REAL300007727265	0	43	-1.0	-55.84	339.16	2.94	-52.90
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C2=NSN=C2C=C1	REAL300007727266	0	37	-1.0	-67.21	298.27	1.74	-65.47
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CCOCC1	REAL300007727267	0	39	-1.0	-55.48	324.94	5.15	-50.33
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)CCOCC1	REAL300007727268	0	43	-1.0	-42.02	353.94	6.12	-35.90
O=C([O-])C1(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)CCOCC1	REAL300007727269	0	32	-1.0	-60.26	291.79	0.98	-59.28
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC=C1Br	REAL300007727270	0	39	-1.0	-52.92	321.31	4.27	-48.65
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727271	0	46	-1.0	-50.72	346.03	3.65	-47.07
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)OC=C2)CCOCC1	REAL300007727272	0	30	-1.0	-40.44	268.56	0.65	-39.79
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CS2)CCOCC1	REAL300007727273	0	30	-1.0	-36.97	273.60	1.87	-35.10
COCCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727274	0	47	-1.0	-45.60	370.23	2.63	-42.97
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CCOCC1	REAL300007727275	0	39	-1.0	-43.08	327.41	4.96	-38.12
CN1N=C2CCOCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727276	0	41	-1.0	-52.68	310.28	0.33	-52.35
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2CC2)CCOCC1	REAL300007727277	0	40	-1.0	-41.49	309.62	4.19	-37.30
CC1(C)CCN(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300007727278	0	44	-1.0	-56.28	305.83	2.32	-53.96
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CCOCC1	REAL300007727279	0	48	-1.0	-57.22	365.90	2.88	-54.34
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727280	0	36	-1.0	-39.91	308.09	-0.03	-39.94
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C	REAL300007727281	0	39	-1.0	-52.65	309.89	-0.21	-52.86
CC(C)CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300007727282	0	42	-1.0	-44.09	332.00	2.26	-41.83
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727283	0	42	-1.0	-43.90	328.74	1.72	-42.18
O=C([O-])C1(NS(=O)(=O)N2CCN(CC(F)F)CC2)CCOCC1	REAL300007727284	0	43	-1.0	-59.74	317.49	0.01	-59.73
COCC1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)=NO1	REAL300007727285	0	39	-1.0	-45.59	320.02	0.28	-45.31
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)CCOCC1	REAL300007727286	0	38	-1.0	-37.04	317.79	4.18	-32.86
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)N=C1	REAL300007727287	0	44	-1.0	-47.94	342.33	2.81	-45.13
CC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727288	0	39	-1.0	-52.03	303.45	1.71	-50.32
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CC2)CCOCC1	REAL300007727289	0	40	-1.0	-42.13	312.71	2.66	-39.47
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CCOCC1	REAL300007727290	0	40	-1.0	-47.01	315.70	3.64	-43.37
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)F)C=N2)CCOCC1	REAL300007727291	0	35	-1.0	-56.80	294.69	2.24	-54.56
O=C([O-])C1(NS(=O)(=O)N2CCC3=CC=CN=C32)CCOCC1	REAL300007727292	0	38	-1.0	-61.42	298.48	3.04	-58.38
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=NN1C(C)C	REAL300007727293	0	42	-1.0	-48.88	333.11	1.69	-47.19
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300007727294	0	47	-1.0	-54.89	372.28	6.02	-48.87
O=C([O-])C1(NS(=O)(=O)C2=NC=CC3=CC=CC=C32)CCOCC1	REAL300007727295	0	38	-1.0	-53.78	306.69	3.18	-50.60
CC1=CN=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C)=C1	REAL300007727296	0	38	-1.0	-49.71	303.30	2.20	-47.51
CC1=CN=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727297	0	35	-1.0	-41.45	279.44	1.01	-40.44
O=C([O-])C1(NS(=O)(=O)N2CC=C(Br)CC2)CCOCC1	REAL300007727298	0	36	-1.0	-54.54	291.65	2.71	-51.83
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727299	0	41	-1.0	-62.99	319.45	-1.27	-64.26
O=C([O-])C1(NS(=O)(=O)N2CC3CCC(C2)O3)CCOCC1	REAL300007727300	0	40	-1.0	-55.61	290.95	1.10	-54.51
N#CC1CCN(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300007727301	0	39	-1.0	-59.56	299.39	2.04	-57.52
COC1=CC=NC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727302	0	36	-1.0	-60.27	290.45	0.46	-59.81
C=CCN(CC=C)S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727303	0	39	-1.0	-37.16	299.65	2.53	-34.63
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C(F)F)=C1	REAL300007727304	0	40	-1.0	-60.79	305.77	2.88	-57.91
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)N=C1	REAL300007727305	0	36	-1.0	-57.31	291.90	0.69	-56.62
CC1=CC=CN=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727306	0	35	-1.0	-49.25	281.83	1.57	-47.68
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727307	0	39	-1.0	-39.69	330.21	0.42	-39.27
O=C([O-])C1(NS(=O)(=O)C2=CC=NC3=CC=CC=C32)CCOCC1	REAL300007727308	0	38	-1.0	-55.53	298.99	2.78	-52.75
CCOC1=CC=CN=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300007727309	0	39	-1.0	-52.93	315.00	1.51	-51.42
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C2=NC=CC=C12	REAL300007727310	0	41	-1.0	-50.26	327.44	3.18	-47.08
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC=N1	REAL300007727311	0	35	-1.0	-53.48	279.28	1.26	-52.22
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC=C32)CCOCC1	REAL300007727312	0	37	-1.0	-44.16	302.49	2.04	-42.12
O=C([O-])C1(NS(=O)(=O)N2CCC(F)(F)C2)CCOCC1	REAL300007727313	0	35	-1.0	-55.81	275.63	1.28	-54.53
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)F)=CC=N2)CCOCC1	REAL300007727314	0	35	-1.0	-40.79	291.90	1.23	-39.56
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)CCOCC1	REAL300007727315	0	40	-1.0	-40.11	341.24	3.04	-37.07
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300007727316	0	46	-1.0	-45.28	358.26	4.30	-40.98
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727317	0	37	-1.0	-64.68	313.09	5.15	-59.53
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727318	0	44	-1.0	-51.11	352.51	7.63	-43.48
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007727319	0	29	-1.0	-49.39	283.05	4.44	-44.95
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727320	0	39	-1.0	-54.81	319.37	5.54	-49.27
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727321	0	35	-1.0	-51.25	303.38	5.82	-45.43
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007727322	0	36	-1.0	-50.14	314.92	5.37	-44.77
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727323	0	38	-1.0	-58.09	334.54	2.56	-55.53
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007727324	0	36	-1.0	-46.29	318.61	4.54	-41.75
COC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1OC	REAL300007727325	0	43	-1.0	-53.91	342.00	4.82	-49.09
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727326	0	35	-1.0	-49.85	297.84	6.04	-43.81
CN(C1CCCCC1)S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727327	0	43	-1.0	-49.22	330.05	5.52	-43.70
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727328	0	38	-1.0	-50.31	309.68	4.03	-46.28
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007727329	0	48	-1.0	-50.68	375.70	8.85	-41.83
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007727330	0	38	-1.0	-55.20	318.70	4.17	-51.03
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007727331	0	32	-1.0	-50.13	282.93	5.47	-44.66
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007727332	0	32	-1.0	-47.24	293.91	5.38	-41.86
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727333	0	37	-1.0	-48.65	299.73	6.44	-42.21
O=C([O-])CC1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007727334	0	38	-1.0	-50.74	335.55	7.05	-43.69
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727335	0	42	-1.0	-60.26	355.97	1.63	-58.63
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727336	0	43	-1.0	-49.88	356.45	6.88	-43.00
CC1=CC(F)=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727337	0	35	-1.0	-52.43	300.49	5.49	-46.94
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007727338	0	38	-1.0	-51.55	319.52	5.55	-46.00
COCC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727339	0	39	-1.0	-52.17	328.90	4.77	-47.40
CCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300007727340	0	38	-1.0	-49.31	323.24	2.64	-46.67
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727341	0	41	-1.0	-64.00	358.86	3.26	-60.74
CS(=O)(=O)CCCS(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727342	0	37	-1.0	-64.29	322.54	1.07	-63.22
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=C1C	REAL300007727343	0	42	-1.0	-52.53	326.12	5.46	-47.07
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007727344	0	37	-1.0	-53.88	328.59	5.53	-48.35
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007727345	0	35	-1.0	-53.14	319.04	6.39	-46.75
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007727346	0	37	-1.0	-52.40	315.17	5.40	-47.00
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC2CC(=O)[O-])CC1	REAL300007727347	0	42	-1.0	-57.57	347.22	0.68	-56.89
CN(C1CCOCC1)S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727348	0	41	-1.0	-50.90	321.75	3.07	-47.83
CC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007727349	0	41	-1.0	-56.08	341.47	6.03	-50.05
CCN1N=C(C)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1C	REAL300007727350	0	41	-1.0	-54.41	331.84	4.89	-49.52
CC(C)N1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300007727351	0	38	-1.0	-48.34	317.76	3.85	-44.49
CC(C)CN1C=NC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727352	0	41	-1.0	-61.25	338.46	6.29	-54.96
CC(C)N1C=NC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727353	0	38	-1.0	-60.84	319.33	5.40	-55.44
CC(C)C1=NC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CN1	REAL300007727354	0	38	-1.0	-53.18	317.69	3.46	-49.72
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727355	0	44	-1.0	-51.45	330.06	7.65	-43.80
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007727356	0	45	-1.0	-55.83	371.91	7.72	-48.11
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727357	0	40	-1.0	-54.55	339.68	4.20	-50.35
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1OC	REAL300007727358	0	40	-1.0	-50.25	338.70	4.57	-45.68
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1Br	REAL300007727359	0	35	-1.0	-49.42	313.72	6.21	-43.21
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727360	0	35	-1.0	-47.34	287.55	5.22	-42.12
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007727361	0	38	-1.0	-50.67	323.09	7.55	-43.12
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007727362	0	37	-1.0	-44.10	319.84	6.96	-37.14
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007727363	0	36	-1.0	-49.95	318.08	4.41	-45.54
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007727364	0	39	-1.0	-52.45	334.76	6.52	-45.93
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727365	0	47	-1.0	-54.22	366.46	6.02	-48.20
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007727366	0	35	-1.0	-50.33	308.00	5.97	-44.36
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727367	0	43	-1.0	-56.13	353.03	4.61	-51.52
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748001	0	35	-1.0	-44.55	296.68	5.28	-39.27
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007748002	0	38	-1.0	-46.30	315.50	5.12	-41.18
COCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748003	0	39	-1.0	-50.95	328.13	4.34	-46.61
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=N1	REAL300007748004	0	38	-1.0	-46.71	317.96	2.16	-44.55
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007748005	0	41	-1.0	-62.42	358.05	2.80	-59.62
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCCS(C)(=O)=O	REAL300007748006	0	37	-1.0	-56.74	320.17	0.67	-56.07
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=C1C	REAL300007748007	0	42	-1.0	-46.32	327.95	5.33	-40.99
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007748008	0	37	-1.0	-48.87	328.80	5.47	-43.40
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007748009	0	35	-1.0	-46.03	320.16	6.34	-39.69
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007748010	0	37	-1.0	-52.82	313.97	5.02	-47.80
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007748011	0	42	-1.0	-55.53	342.81	0.61	-54.92
CC1C(C(=O)[O-])CCN1S(=O)(=O)N(C)C1CCOCC1	REAL300007748012	0	41	-1.0	-44.92	323.12	3.03	-41.89
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=NN1C1=CC=CC=N1	REAL300007748013	0	41	-1.0	-52.62	337.99	5.86	-46.76
CCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1C	REAL300007748014	0	41	-1.0	-47.74	332.64	4.86	-42.88
CC(C)N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=N1	REAL300007748015	0	38	-1.0	-46.91	314.94	3.68	-43.23
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748016	0	41	-1.0	-53.14	339.35	6.20	-46.94
CC(C)N1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748017	0	38	-1.0	-56.49	322.68	5.30	-51.19
CC(C)C1=NC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CN1	REAL300007748018	0	38	-1.0	-51.88	313.83	3.37	-48.51
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007748019	0	44	-1.0	-49.42	325.87	7.86	-41.56
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007748020	0	45	-1.0	-54.50	373.04	7.57	-46.93
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007748021	0	40	-1.0	-63.07	339.19	4.05	-59.02
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1OC	REAL300007748022	0	40	-1.0	-47.89	332.86	4.31	-43.58
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1Br	REAL300007748023	0	35	-1.0	-48.57	312.68	5.81	-42.76
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748024	0	35	-1.0	-47.22	287.82	5.44	-41.78
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007748025	0	38	-1.0	-46.64	324.16	7.39	-39.25
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007748026	0	37	-1.0	-48.00	326.61	7.07	-40.93
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007748027	0	36	-1.0	-49.96	318.59	4.29	-45.67
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007748028	0	39	-1.0	-50.12	330.07	6.28	-43.84
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748029	0	47	-1.0	-46.49	372.87	6.45	-40.04
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007748030	0	35	-1.0	-50.45	307.23	5.54	-44.91
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748031	0	43	-1.0	-50.47	353.17	4.52	-45.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300007749001	0	36	-1.0	-56.66	315.85	4.77	-51.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007749002	0	35	-1.0	-56.89	327.11	5.63	-51.26
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007749003	0	34	-1.0	-48.13	315.04	6.64	-41.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007749004	0	38	-1.0	-45.85	326.97	4.95	-40.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300007749005	0	40	-1.0	-52.18	321.10	7.13	-45.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300007749006	0	39	-1.0	-56.45	326.42	5.08	-51.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007749007	0	44	-1.0	-46.48	357.74	5.95	-40.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300007749008	0	43	-1.0	-44.80	350.61	5.64	-39.16
CCCCN1C=C(S(=O)(=O)N(CCC)CC(=O)[O-])C(C)=N1	REAL300007749009	0	43	-1.0	-44.46	358.34	5.86	-38.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007749010	0	38	-1.0	-47.49	325.31	4.87	-42.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007749011	0	35	-1.0	-54.07	314.30	4.73	-49.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007749012	0	36	-1.0	-69.14	318.07	3.77	-65.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300007749013	0	37	-1.0	-42.84	321.12	6.74	-36.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007749014	0	37	-1.0	-50.28	338.92	6.17	-44.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007749015	0	41	-1.0	-46.59	340.36	5.37	-41.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300007749016	0	49	-1.0	-57.52	386.72	9.13	-48.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007749017	0	37	-1.0	-44.70	347.11	7.06	-37.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007749018	0	41	-1.0	-53.33	345.12	5.57	-47.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007749019	0	35	-1.0	-56.15	314.22	6.43	-49.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007749020	0	42	-1.0	-46.06	367.58	8.03	-38.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300007749021	0	40	-1.0	-71.37	338.42	6.41	-64.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007749022	0	38	-1.0	-51.76	314.97	4.47	-47.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007749023	0	40	-1.0	-52.09	320.40	4.77	-47.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007749024	0	40	-1.0	-53.29	335.64	4.64	-48.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007749025	0	38	-1.0	-44.25	318.81	4.13	-40.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300007749026	0	36	-1.0	-43.67	326.84	5.01	-38.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007749027	0	34	-1.0	-48.36	320.11	6.21	-42.15
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCC)CC(=O)[O-])=C1	REAL300007749028	0	42	-1.0	-55.68	360.46	7.22	-48.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007749029	0	42	-1.0	-45.14	338.83	8.10	-37.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007749030	0	37	-1.0	-51.69	335.03	6.10	-45.59
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007749031	0	38	-1.0	-48.48	326.94	3.53	-44.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300007749032	0	41	-1.0	-51.13	371.26	5.92	-45.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007749033	0	31	-1.0	-56.87	298.25	5.39	-51.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007749034	0	41	-1.0	-51.56	343.17	5.83	-45.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)CC	REAL300007749035	0	40	-1.0	-41.53	328.22	4.87	-36.66
CCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007749036	0	45	-1.0	-42.18	342.82	6.05	-36.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007749037	0	45	-1.0	-55.01	369.11	4.21	-50.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007749038	0	37	-1.0	-48.28	329.12	6.72	-41.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007749039	0	35	-1.0	-47.19	315.15	4.77	-42.42
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007749040	0	46	-1.0	-42.13	370.87	7.82	-34.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300007749041	0	42	-1.0	-52.09	340.35	7.23	-44.86
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007749042	0	39	-1.0	-39.23	332.63	5.33	-33.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC)=C1	REAL300007749043	0	41	-1.0	-46.25	352.83	5.88	-40.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007749044	0	34	-1.0	-53.44	334.65	7.17	-46.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007749045	0	41	-1.0	-50.47	350.82	6.35	-44.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007749046	0	44	-1.0	-44.78	362.54	6.13	-38.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007749047	0	42	-1.0	-45.03	364.58	8.04	-36.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300007749048	0	37	-1.0	-51.37	328.83	6.66	-44.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007749049	0	34	-1.0	-53.44	334.65	7.17	-46.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300007749050	0	40	-1.0	-61.20	334.12	8.11	-53.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007749051	0	41	-1.0	-45.81	348.17	6.36	-39.45
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007749052	0	35	-1.0	-53.13	315.52	6.49	-46.64
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007749053	0	35	-1.0	-52.69	330.41	7.04	-45.65
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007749054	0	35	-1.0	-52.54	330.40	7.05	-45.49
CCCN(CC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007749055	0	36	-1.0	-43.72	317.09	-0.88	-44.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007749056	0	33	-1.0	-49.89	306.77	4.58	-45.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007749057	0	40	-1.0	-49.46	350.23	4.40	-45.06
CCCN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007749058	0	48	-1.0	-58.51	351.83	8.04	-50.47
CCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007749059	0	39	-1.0	-54.46	309.71	5.41	-49.05
CCCN(CC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007749060	0	39	-1.0	-66.15	341.20	1.75	-64.40
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007749061	0	44	-1.0	-59.94	349.13	5.51	-54.43
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007749062	0	35	-1.0	-63.41	322.80	4.20	-59.21
CCCN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007749063	0	41	-1.0	-58.70	358.13	8.07	-50.63
CCCN(CC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007749064	0	40	-1.0	-42.36	327.94	2.61	-39.75
CCCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007749065	0	44	-1.0	-56.73	342.17	7.15	-49.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007749066	0	35	-1.0	-53.93	319.29	6.48	-47.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007749067	0	53	-1.0	-46.45	405.48	9.35	-37.10
CCCN(CC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300007749068	0	42	-1.0	-54.09	352.82	6.24	-47.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300007749069	0	36	-1.0	-57.08	324.28	3.11	-53.97
CCCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007749070	0	43	-1.0	-53.52	332.66	5.52	-48.00
CCCN(CC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007749071	0	42	-1.0	-42.97	354.14	6.97	-36.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007749072	0	35	-1.0	-53.36	320.24	6.14	-47.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300007749073	0	35	-1.0	-46.29	313.59	4.76	-41.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007749074	0	35	-1.0	-43.44	321.38	4.84	-38.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007749075	0	37	-1.0	-52.13	316.02	4.99	-47.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007749076	0	38	-1.0	-58.22	328.66	6.93	-51.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007749077	0	40	-1.0	-51.93	353.83	5.63	-46.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300007749078	0	44	-1.0	-54.99	362.61	7.44	-47.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007749079	0	42	-1.0	-56.45	365.39	8.06	-48.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007749080	0	37	-1.0	-50.90	307.64	6.60	-44.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007749081	0	32	-1.0	-44.82	307.44	4.15	-40.67
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCC)CC(=O)[O-])=C1	REAL300007749082	0	42	-1.0	-49.73	359.56	6.81	-42.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300007749083	0	41	-1.0	-47.31	346.84	5.74	-41.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300007749084	0	35	-1.0	-44.65	306.87	4.24	-40.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007749085	0	37	-1.0	-52.82	337.56	7.92	-44.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007749086	0	41	-1.0	-52.23	365.89	9.08	-43.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007749087	0	30	-1.0	-39.14	303.31	3.17	-35.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(CC)=C1	REAL300007749088	0	37	-1.0	-41.76	334.93	7.07	-34.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300007749089	0	44	-1.0	-44.50	356.95	6.22	-38.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300007749090	0	45	-1.0	-59.02	376.27	5.61	-53.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007749091	0	37	-1.0	-45.78	326.28	7.68	-38.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007749092	0	39	-1.0	-47.57	322.61	2.73	-44.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007749093	0	37	-1.0	-52.88	339.81	4.97	-47.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007749094	0	46	-1.0	-53.24	376.94	5.53	-47.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300007749095	0	34	-1.0	-52.54	314.25	2.98	-49.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300007749096	0	37	-1.0	-45.05	323.23	2.60	-42.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300007749097	0	40	-1.0	-54.73	338.52	5.29	-49.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300007749098	0	40	-1.0	-55.61	343.09	4.92	-50.69
CCCN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007749099	0	41	-1.0	-55.37	335.54	2.85	-52.52
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(COC)=C1	REAL300007749100	0	37	-1.0	-58.45	329.18	3.05	-55.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007749101	0	36	-1.0	-53.85	331.31	7.15	-46.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007749102	0	42	-1.0	-54.98	350.38	5.59	-49.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007749103	0	38	-1.0	-43.61	321.94	5.28	-38.33
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007749104	0	38	-1.0	-51.71	329.85	6.41	-45.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007749105	0	33	-1.0	-54.52	306.17	4.13	-50.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300007749106	0	40	-1.0	-49.77	333.74	4.89	-44.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300007749107	0	45	-1.0	-45.30	384.70	8.75	-36.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007749108	0	36	-1.0	-60.68	314.50	5.66	-55.02
CCCN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007749109	0	34	-1.0	-50.71	304.42	4.75	-45.96
CCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007749110	0	39	-1.0	-44.66	333.61	0.98	-43.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300007749111	0	38	-1.0	-62.58	324.11	5.61	-56.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300007749112	0	37	-1.0	-51.79	336.64	3.48	-48.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007749113	0	36	-1.0	-56.78	312.18	5.67	-51.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1OCC	REAL300007749114	0	37	-1.0	-52.03	318.94	4.66	-47.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300007749115	0	39	-1.0	-53.83	328.50	6.80	-47.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007749116	0	33	-1.0	-60.79	305.18	4.20	-56.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007749117	0	38	-1.0	-57.01	344.79	6.02	-50.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300007749118	0	44	-1.0	-59.64	360.90	7.32	-52.32
O=C([O-])CN(CC1=CC=CC(Br)=C1)S(=O)(=O)C1=CC=CC=C1	REAL300007749119	0	35	-1.0	-51.34	325.89	7.75	-43.59
CN(C)S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749120	0	33	-1.0	-50.15	302.03	4.98	-45.17
CCCCN(C)S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749121	0	42	-1.0	-49.80	362.95	7.22	-42.58
CCCCS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749122	0	37	-1.0	-53.41	332.17	7.03	-46.38
CCS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749123	0	31	-1.0	-53.69	289.17	5.46	-48.23
CS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749124	0	28	-1.0	-53.19	273.69	4.68	-48.51
CCCS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749125	0	34	-1.0	-53.45	310.67	6.25	-47.20
O=C([O-])CN(CC1=CC=CC(Br)=C1)S(=O)(=O)C1=CC=CS1	REAL300007749126	0	32	-1.0	-50.79	317.81	6.76	-44.03
O=C([O-])CN(CC1=CC=CC(Br)=C1)S(=O)(=O)N1CCOCC1	REAL300007749127	0	38	-1.0	-40.86	337.45	4.61	-36.25
CN1C=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C=N1	REAL300007749128	0	35	-1.0	-51.55	330.35	5.48	-46.07
CCN(CC)S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749129	0	39	-1.0	-50.75	341.72	6.57	-44.18
CC1=NNC=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749130	0	35	-1.0	-44.21	325.53	4.95	-39.26
O=C([O-])CN(CC1=CC=CC(Br)=C1)S(=O)(=O)CCC1CC1	REAL300007749131	0	38	-1.0	-55.34	348.58	7.95	-47.39
O=C([O-])CN(CC1=CC=CC(Br)=C1)S(=O)(=O)CC1=NOC=C1	REAL300007749132	0	34	-1.0	-60.98	330.37	5.90	-55.08
COCCC(C)S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749133	0	41	-1.0	-54.82	355.35	6.05	-48.77
CCC(C)CS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749134	0	40	-1.0	-53.16	344.63	7.65	-45.51
COCC(C)CS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749135	0	41	-1.0	-54.26	359.34	6.10	-48.16
CC(C)(C)CCS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749136	0	43	-1.0	-53.18	365.90	7.95	-45.23
CC1CCN(S(=O)(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300007749137	0	40	-1.0	-51.05	350.45	6.68	-44.37
CC(C)CN(C)S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749138	0	42	-1.0	-50.58	361.98	6.96	-43.62
CCN(C)S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749139	0	36	-1.0	-50.19	319.95	5.68	-44.51
CCCN(C)S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749140	0	39	-1.0	-49.89	341.45	6.44	-43.45
COC(C)CS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749141	0	38	-1.0	-54.19	341.95	5.48	-48.71
CN1N=NC=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749142	0	34	-1.0	-45.07	319.07	3.98	-41.09
O=C([O-])CN(CC1=CC=CC(Br)=C1)S(=O)(=O)CCC1CCC1	REAL300007749143	0	41	-1.0	-55.44	365.21	8.46	-46.98
COCC1(S(=O)(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300007749144	0	39	-1.0	-56.43	336.04	7.15	-49.28
CN1C=CC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)=N1	REAL300007749145	0	35	-1.0	-56.31	332.93	5.29	-51.02
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C=C1	REAL300007749146	0	38	-1.0	-51.06	347.30	8.42	-42.64
CCS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749147	0	31	-1.0	-53.69	289.17	5.46	-48.23
CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)=C1	REAL300007749148	0	38	-1.0	-52.54	347.31	8.42	-44.12
CCCCS(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749149	0	37	-1.0	-53.41	332.17	7.03	-46.38
O=C([O-])CN(CC1=CC=CC(Br)=C1)S(=O)(=O)CC1=CC=CC=C1	REAL300007749150	0	38	-1.0	-57.08	355.38	8.62	-48.46
O=C([O-])CN(CC1=CC=CC(Br)=C1)S(=O)(=O)N1CCCCC1	REAL300007749151	0	40	-1.0	-49.63	338.25	6.50	-43.13
O=C([O-])CN(CC1=CC=CC(Br)=C1)S(=O)(=O)N1CCCC1	REAL300007749152	0	37	-1.0	-43.78	334.65	6.43	-37.35
CC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300007749153	0	38	-1.0	-52.93	335.02	8.12	-44.81
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CN(C(C)(C)C)S(=O)(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300007749339	0	45	-1.0	-60.47	386.50	5.38	-55.09
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CC1=CN=CC(S(=O)(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300007749341	0	40	-1.0	-61.41	376.78	4.75	-56.66
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CCOCCCS(=O)(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300007749343	0	44	-1.0	-65.75	401.22	4.41	-61.34
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COCCC1(S(=O)(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300007749346	0	45	-1.0	-65.13	394.70	4.75	-60.38
CCN1N=CC(S(=O)(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300007749347	0	40	-1.0	-62.38	381.05	2.75	-59.63
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300007749347	1	39	-2.0	-98.82	378.81	2.36	-96.46
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CC1=COC(S(=O)(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300007749349	0	38	-1.0	-60.40	364.92	4.55	-55.85
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)O1	REAL300007749350	0	38	-1.0	-61.60	364.94	4.70	-56.90
CCC1=NNC=C1S(=O)(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300007749351	0	41	-1.0	-62.65	383.05	3.59	-59.06
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CC1=CN=CC=C1S(=O)(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300007749353	0	40	-1.0	-60.17	370.74	4.99	-55.18
C=CCN(CC=C)S(=O)(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300007749354	0	44	-1.0	-60.39	400.85	5.78	-54.61
CC1=CC=CN=C1S(=O)(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300007749355	0	40	-1.0	-62.90	371.88	4.82	-58.08
CC1=CC(S(=O)(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CC=N1	REAL300007749356	0	40	-1.0	-60.71	377.13	4.70	-56.01
O=C([O-])C1=CSC(C2=CC=CC(CNS(=O)(=O)C3=CN=CS3)=C2)=N1	REAL300007749357	0	34	-1.0	-61.45	346.93	3.00	-58.45
CCCC(CNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007749358	0	39	-1.0	-59.88	334.08	4.74	-55.14
CCCC(CNS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300007749359	0	46	-1.0	-48.22	375.79	6.97	-41.25
CCCC(CNS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007749360	0	31	-1.0	-51.56	306.69	3.98	-47.58
CCCC(CNS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007749361	0	41	-1.0	-59.26	339.65	4.86	-54.40
CCCC(CNS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007749362	0	37	-1.0	-51.29	329.64	5.77	-45.52
CCCC(CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007749363	0	38	-1.0	-48.75	334.17	4.70	-44.05
CCCC(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007749364	0	40	-1.0	-53.96	352.32	1.92	-52.04
CCCC(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007749365	0	38	-1.0	-52.22	343.72	4.16	-48.06
CCCC(CNS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007749366	0	45	-1.0	-53.49	366.28	4.46	-49.03
CCCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007749367	0	37	-1.0	-44.95	328.53	5.79	-39.16
CCCC(CNS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007749368	0	45	-1.0	-47.49	354.24	4.83	-42.66
CCCC(CNS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007749369	0	40	-1.0	-46.92	328.30	3.43	-43.49
CCCC(CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007749370	0	50	-1.0	-53.93	399.58	8.17	-45.76
CCCC(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007749371	0	40	-1.0	-55.87	342.21	3.52	-52.35
CCCC(CNS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007749372	0	34	-1.0	-50.16	313.56	5.12	-45.04
CCCC(CNS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007749373	0	34	-1.0	-53.34	319.03	4.98	-48.36
CCCC(CNS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749374	0	39	-1.0	-60.91	330.78	6.72	-54.19
CCCC(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007749375	0	40	-1.0	-57.87	359.71	6.38	-51.49
CCCC(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007749376	0	44	-1.0	-66.24	375.70	0.98	-65.26
CCCC(CNS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007749377	0	45	-1.0	-48.40	374.08	6.23	-42.17
CCCC(CNS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007749378	0	37	-1.0	-43.83	319.43	5.14	-38.69
CCCC(CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007749379	0	40	-1.0	-52.58	338.50	4.85	-47.73
CCCC(CNS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007749380	0	41	-1.0	-46.29	346.70	4.13	-42.16
CCCC(CNS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300007749381	0	40	-1.0	-48.12	346.15	2.00	-46.12
CCCC(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007749382	0	43	-1.0	-59.99	382.13	2.58	-57.41
CCCC(CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007749383	0	39	-1.0	-58.50	346.10	0.40	-58.10
CCCC(CNS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007749384	0	44	-1.0	-52.24	353.21	5.17	-47.07
CCCC(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007749385	0	39	-1.0	-57.91	348.84	4.86	-53.05
CCCC(CNS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007749386	0	37	-1.0	-58.46	342.78	5.70	-52.76
CCCC(CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007749387	0	39	-1.0	-53.64	333.78	4.73	-48.91
CCCC(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007749388	0	44	-1.0	-57.59	367.82	-0.05	-57.64
CCCC(CNS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007749389	0	43	-1.0	-43.61	339.47	2.46	-41.15
CCCC(CNS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007749390	0	43	-1.0	-52.93	370.43	5.71	-47.22
CCCC(CNS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300007749391	0	43	-1.0	-49.22	351.03	4.34	-44.88
CCCC(CNS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007749392	0	40	-1.0	-51.31	341.88	3.46	-47.85
CCCC(CNS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007749393	0	43	-1.0	-58.38	357.38	5.30	-53.08
CCCC(CNS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007749394	0	40	-1.0	-57.18	338.25	4.72	-52.46
CCCC(CNS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007749395	0	40	-1.0	-54.81	338.89	2.97	-51.84
CCCC(CNS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007749396	0	46	-1.0	-46.12	344.23	6.96	-39.16
CCCC(CNS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007749397	0	42	-1.0	-65.02	364.19	3.78	-61.24
CCCC(CNS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007749398	0	42	-1.0	-54.54	358.06	3.63	-50.91
CCCC(CNS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007749399	0	37	-1.0	-53.69	337.22	5.56	-48.13
CCCC(CNS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007749400	0	37	-1.0	-50.29	313.52	5.17	-45.12
CCCC(CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007749401	0	40	-1.0	-53.60	353.10	7.14	-46.46
CCCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007749402	0	39	-1.0	-49.35	350.22	6.62	-42.73
CCCC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007749403	0	38	-1.0	-53.81	343.20	4.01	-49.80
CCCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007749404	0	41	-1.0	-53.57	350.06	6.03	-47.54
CCCC(CNS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007749405	0	49	-1.0	-46.28	384.38	5.41	-40.87
CCCC(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007749406	0	37	-1.0	-46.21	323.80	5.27	-40.94
CCCC(CNS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007749407	0	45	-1.0	-60.10	373.31	3.91	-56.19
CC1=NC2=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@@H](C4=CC=CC=C4)C3)C=CC=C2C=C1	REAL300007752001	0	47	-1.0	-68.67	386.91	8.99	-59.68
CCN(CC1CC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752002	0	47	-1.0	-45.15	377.83	7.73	-37.42
CCCN1C=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)=C1	REAL300007752003	0	45	-1.0	-64.47	375.42	8.31	-56.16
O=C([O-])[C@@H]1CN(S(=O)(=O)CCOCC2CC2)C[C@@H]1C1=CC=CC=C1	REAL300007752004	0	46	-1.0	-56.19	379.34	6.65	-49.54
CC(COC1CCCC1)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752005	0	55	-1.0	-44.67	429.75	8.70	-35.97
COCC(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752006	0	45	-1.0	-43.10	363.81	5.77	-37.33
CCOCC(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752007	0	48	-1.0	-64.22	383.91	6.85	-57.37
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C[C@@H]1C1=CC=CC=C1	REAL300007752008	0	47	-1.0	-48.32	388.35	5.23	-43.09
CC(C)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752009	0	48	-1.0	-46.33	373.08	8.83	-37.50
O=C([O-])[C@@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@@H]1C1=CC=CC=C1	REAL300007752010	0	51	-1.0	-44.54	403.55	4.43	-40.11
CCOC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)=C1	REAL300007752011	0	46	-1.0	-60.54	379.47	7.77	-52.77
COCCN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C=N1	REAL300007752012	0	46	-1.0	-58.36	387.89	5.17	-53.19
CC(C)(C)CCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752013	0	47	-1.0	-62.65	368.63	7.74	-54.91
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C[C@@H]1C1=CC=CC=C1	REAL300007752014	0	44	-1.0	-52.27	370.94	7.80	-44.47
CC1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300007752015	0	44	-1.0	-58.78	352.87	6.47	-52.31
COCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752016	0	46	-1.0	-45.11	376.20	7.45	-37.66
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C[C@@H]1C1=CC=CC=C1	REAL300007752017	0	42	-1.0	-50.65	368.83	6.32	-44.33
CSC1=CC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752018	0	43	-1.0	-49.58	358.92	8.05	-41.53
CCC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)=C1	REAL300007752019	0	45	-1.0	-46.94	372.65	8.87	-38.07
CCC1=CC=C(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C=C1	REAL300007752020	0	48	-1.0	-64.15	394.80	9.73	-54.42
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=CS2)C[C@@H]1C1=CC=CC=C1	REAL300007752021	0	42	-1.0	-57.77	363.78	7.93	-49.84
CC1=CC=C(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C=C1C	REAL300007752022	0	48	-1.0	-47.07	392.67	9.40	-37.67
CC(C)CN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752023	0	46	-1.0	-45.11	366.45	6.99	-38.12
CCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752024	0	40	-1.0	-58.45	322.75	5.51	-52.94
CN(C1CCCC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752025	0	47	-1.0	-42.93	365.34	7.21	-35.72
CCCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752026	0	43	-1.0	-54.94	348.37	6.19	-48.75
CC1(C)CN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)CCO1	REAL300007752027	0	48	-1.0	-45.72	375.43	5.53	-40.19
CC1=NOC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)=C1	REAL300007752028	0	41	-1.0	-47.49	350.51	6.22	-41.27
CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752029	0	46	-1.0	-68.47	391.89	2.30	-66.17
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2CCCO2)C[C@@H]1C1=CC=CC=C1	REAL300007752030	0	46	-1.0	-63.35	369.77	6.37	-56.98
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C=C1N(C)C	REAL300007752031	0	50	-1.0	-47.81	404.57	7.99	-39.82
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C3OCCCN3N=C2)C[C@@H]1C1=CC=CC=C1	REAL300007752032	0	44	-1.0	-63.24	365.10	4.48	-58.76
O=C([O-])[C@@H]1CN(S(=O)(=O)CCOCC2CCCC2)C[C@@H]1C1=CC=CC=C1	REAL300007752033	0	52	-1.0	-59.77	412.78	8.02	-51.75
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752034	0	51	-1.0	-51.03	403.41	7.94	-43.09
COC(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752035	0	42	-1.0	-46.10	345.82	5.04	-41.06
CN1N=CC2=CC(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@@H](C4=CC=CC=C4)C3)=CN=C21	REAL300007752036	0	44	-1.0	-57.44	372.54	6.68	-50.76
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN3CCCCC3=N2)C[C@@H]1C1=CC=CC=C1	REAL300007752037	0	46	-1.0	-65.38	373.88	7.59	-57.79
COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C(C)=C1F	REAL300007752038	0	46	-1.0	-54.15	369.94	7.19	-46.96
CC1(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)CCCCC1	REAL300007752039	0	51	-1.0	-63.49	377.87	9.08	-54.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C[C@@H]1C1=CC=CC=C1	REAL300007752040	0	48	-1.0	-50.39	390.45	8.91	-41.48
CN1N=NC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752041	0	38	-1.0	-52.51	321.53	4.01	-48.50
CC1=CC=C(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C(F)=C1	REAL300007752042	0	45	-1.0	-61.26	378.70	8.77	-52.49
C[NH+](C)CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C=C1	REAL300007752043	0	51	0.0	-68.27	405.94	9.27	-59.00
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C[C@@H]1C1=CC=CC=C1	REAL300007752044	0	52	-1.0	-45.95	416.90	10.68	-35.27
CC(C)(C)C1=CC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)=NO1	REAL300007752045	0	50	-1.0	-48.64	411.67	8.18	-40.46
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2CCC2)C[C@@H]1C1=CC=CC=C1	REAL300007752046	0	45	-1.0	-43.94	363.39	8.01	-35.93
CC(C)(C)CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300007752047	0	50	-1.0	-43.51	391.87	8.40	-35.11
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C[C@@H]1C1=CC=CC=C1	REAL300007752048	0	42	-1.0	-56.36	364.28	8.02	-48.34
CC1=C(CCS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)SC=N1	REAL300007752049	0	44	-1.0	-46.27	379.09	6.70	-39.57
COCC1(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)CC1	REAL300007752050	0	43	-1.0	-62.42	348.35	6.21	-56.21
O=C([O-])[C@@H]1CN(S(=O)(=O)CC23CCC(CC2)C3)C[C@@H]1C1=CC=CC=C1	REAL300007752051	0	49	-1.0	-44.70	378.64	8.85	-35.85
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CC1=CC=C(Br)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752408	0	35	-1.0	-39.87	318.18	6.00	-33.87
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007752409	0	36	-1.0	-53.50	328.66	4.78	-48.72
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752410	0	38	-1.0	-52.87	346.42	2.11	-50.76
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007752411	0	36	-1.0	-40.88	333.91	4.42	-36.46
COC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1OC	REAL300007752412	0	43	-1.0	-56.60	358.97	4.53	-52.07
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752413	0	35	-1.0	-39.18	313.63	5.89	-33.29
CN(C1CCCCC1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752414	0	43	-1.0	-54.49	338.87	4.76	-49.73
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752415	0	38	-1.0	-46.09	325.10	3.68	-42.41
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007752416	0	48	-1.0	-43.13	387.52	8.38	-34.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007752417	0	38	-1.0	-46.81	330.14	3.73	-43.08
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300007752418	0	32	-1.0	-53.97	301.18	5.14	-48.83
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007752419	0	32	-1.0	-40.50	306.96	5.20	-35.30
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752420	0	37	-1.0	-48.40	316.44	6.84	-41.56
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007752421	0	38	-1.0	-54.62	349.48	6.49	-48.13
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752422	0	42	-1.0	-65.39	369.91	1.07	-64.32
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752423	0	43	-1.0	-43.12	368.17	6.43	-36.69
CC1=CC(F)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752424	0	35	-1.0	-53.62	315.22	5.25	-48.37
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007752425	0	38	-1.0	-53.26	333.47	4.99	-48.27
COCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752426	0	39	-1.0	-44.47	342.97	4.36	-40.11
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007752427	0	38	-1.0	-51.10	336.48	2.11	-48.99
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752428	0	41	-1.0	-54.08	370.75	2.81	-51.27
CS(=O)(=O)CCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752429	0	37	-1.0	-69.91	336.48	0.51	-69.40
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1C	REAL300007752430	0	42	-1.0	-44.38	346.25	5.40	-38.98
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007752431	0	37	-1.0	-45.93	344.39	5.05	-40.88
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007752432	0	35	-1.0	-39.71	328.20	5.87	-33.84
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007752433	0	37	-1.0	-56.23	328.58	4.88	-51.35
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300007752434	0	42	-1.0	-43.25	360.89	0.32	-42.93
CN(C1CCOCC1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752435	0	41	-1.0	-52.71	325.49	2.25	-50.46
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007752436	0	41	-1.0	-57.21	360.28	5.79	-51.42
CCN1N=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007752437	0	41	-1.0	-47.03	344.13	4.48	-42.55
CC(C)N1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007752438	0	38	-1.0	-46.12	330.40	3.67	-42.45
CC(C)CN1C=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752439	0	41	-1.0	-62.35	353.15	5.52	-56.83
CC(C)N1C=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752440	0	38	-1.0	-62.39	334.29	4.91	-57.48
CC(C)C1=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CN1	REAL300007752441	0	38	-1.0	-62.95	332.65	2.96	-59.99
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752442	0	44	-1.0	-45.41	331.79	7.11	-38.30
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007752443	0	45	-1.0	-58.25	390.10	7.37	-50.88
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752444	0	40	-1.0	-50.19	354.39	4.03	-46.16
COC1=CC(Cl)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1OC	REAL300007752445	0	40	-1.0	-53.20	355.56	4.20	-49.00
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Br	REAL300007752446	0	35	-1.0	-43.75	327.41	5.81	-37.94
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752447	0	35	-1.0	-51.25	306.32	5.39	-45.86
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007752448	0	38	-1.0	-52.84	341.55	7.18	-45.66
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007752449	0	37	-1.0	-38.11	333.39	6.59	-31.52
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007752450	0	36	-1.0	-44.75	333.38	4.25	-40.50
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007752451	0	39	-1.0	-53.63	350.98	5.61	-48.02
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752452	0	47	-1.0	-45.59	382.25	5.92	-39.67
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007752453	0	35	-1.0	-42.54	319.89	5.52	-37.02
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752454	0	43	-1.0	-46.54	354.78	4.12	-42.42
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753001	0	32	-1.0	-48.79	300.14	4.87	-43.92
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007753002	0	33	-1.0	-50.81	307.69	3.69	-47.12
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753003	0	35	-1.0	-57.77	323.36	0.95	-56.82
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007753004	0	33	-1.0	-49.48	308.65	3.22	-46.26
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300007753005	0	40	-1.0	-49.74	337.39	3.48	-46.26
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753006	0	32	-1.0	-47.91	294.64	4.84	-43.07
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007753007	0	45	-1.0	-48.27	365.01	7.27	-41.00
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007753008	0	35	-1.0	-52.22	307.16	2.58	-49.64
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007753009	0	29	-1.0	-50.86	279.68	4.19	-46.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007753010	0	29	-1.0	-48.79	284.45	4.08	-44.71
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753011	0	34	-1.0	-57.54	295.57	5.80	-51.74
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007753012	0	35	-1.0	-53.09	324.59	5.43	-47.66
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753013	0	39	-1.0	-58.41	345.64	0.05	-58.36
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753014	0	40	-1.0	-51.62	345.63	5.30	-46.32
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007753015	0	35	-1.0	-51.47	308.91	3.95	-47.52
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300007753016	0	35	-1.0	-49.69	311.83	1.03	-48.66
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753017	0	38	-1.0	-60.25	348.21	1.67	-58.58
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1C	REAL300007753018	0	39	-1.0	-48.99	323.01	4.27	-44.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007753019	0	34	-1.0	-49.12	310.48	3.88	-45.24
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007753020	0	32	-1.0	-50.55	308.27	4.80	-45.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007753021	0	34	-1.0	-51.98	304.12	3.85	-48.13
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753022	0	46	-1.0	-56.58	404.41	2.51	-54.07
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300007753023	0	39	-1.0	-58.50	331.66	-1.02	-59.52
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007753024	0	38	-1.0	-53.04	321.23	4.32	-48.72
CCN1N=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300007753025	0	38	-1.0	-51.42	319.13	3.28	-48.14
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753026	0	38	-1.0	-54.55	327.73	4.70	-49.85
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753027	0	41	-1.0	-50.03	317.30	5.94	-44.09
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300007753028	0	42	-1.0	-55.41	367.34	6.42	-48.99
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753029	0	37	-1.0	-58.14	329.26	2.88	-55.26
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)C1	REAL300007753030	0	35	-1.0	-48.65	330.15	4.60	-44.05
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300007753031	0	37	-1.0	-49.83	334.67	3.24	-46.59
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(OC)C=C1Br	REAL300007753032	0	37	-1.0	-49.32	341.37	3.20	-46.12
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300007753033	0	32	-1.0	-49.36	302.22	4.61	-44.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007753034	0	35	-1.0	-48.91	318.60	6.24	-42.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007753035	0	34	-1.0	-50.06	314.54	5.62	-44.44
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007753036	0	40	-1.0	-49.56	384.12	4.19	-45.37
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007753037	0	33	-1.0	-50.88	308.61	3.11	-47.77
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007753038	0	36	-1.0	-51.57	319.76	5.23	-46.34
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753039	0	44	-1.0	-50.78	350.19	4.27	-46.51
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007753040	0	32	-1.0	-51.70	296.83	4.36	-47.34
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753041	0	40	-1.0	-52.00	346.55	2.95	-49.05
CCCCN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=N1	REAL300007754001	0	47	-1.0	-50.65	375.87	6.36	-44.29
CN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007754002	0	42	-1.0	-52.92	339.80	5.35	-47.57
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007754003	0	39	-1.0	-50.24	325.95	5.05	-45.19
CN1N=NC2=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=CC=C21	REAL300007754004	0	40	-1.0	-67.59	332.14	3.98	-63.61
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1Br	REAL300007754005	0	41	-1.0	-51.59	334.54	7.11	-44.48
CC1(C)CCCN(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300007754006	0	46	-1.0	-49.32	338.87	5.91	-43.41
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007754007	0	41	-1.0	-49.85	347.24	6.37	-43.48
CN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300007754008	0	45	-1.0	-50.63	345.33	5.42	-45.21
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007754009	0	53	-1.0	-50.73	387.66	8.80	-41.93
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007754010	0	45	-1.0	-53.77	361.99	6.23	-47.54
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007754011	0	39	-1.0	-52.34	328.91	6.74	-45.60
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007754012	0	46	-1.0	-51.24	378.84	8.34	-42.90
COC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007754013	0	44	-1.0	-64.54	354.10	6.77	-57.77
CCCC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007754014	0	44	-1.0	-49.20	351.15	7.68	-41.52
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754015	0	42	-1.0	-50.28	331.74	5.06	-45.22
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C1	REAL300007754016	0	41	-1.0	-49.16	313.45	4.95	-44.21
CC1=CC=CC(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754017	0	41	-1.0	-48.40	306.86	6.82	-41.58
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754018	0	44	-1.0	-49.22	337.47	5.34	-43.88
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007754019	0	44	-1.0	-53.15	352.54	5.30	-47.85
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007754020	0	42	-1.0	-49.57	322.57	4.13	-45.44
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007754021	0	40	-1.0	-50.33	337.64	5.27	-45.06
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007754022	0	38	-1.0	-46.70	331.72	6.51	-40.19
CC1=NN(C)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007754023	0	38	-1.0	-50.15	310.78	3.83	-46.32
CC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1C	REAL300007754024	0	41	-1.0	-49.41	313.08	6.51	-42.90
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007754025	0	46	-1.0	-62.41	371.16	7.49	-54.92
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007754026	0	46	-1.0	-49.51	347.46	8.31	-41.20
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007754027	0	41	-1.0	-49.09	341.44	6.27	-42.82
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007754028	0	41	-1.0	-49.43	326.19	5.94	-43.49
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007754029	0	42	-1.0	-56.57	341.77	3.94	-52.63
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007754030	0	35	-1.0	-52.86	309.82	5.76	-47.10
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007754031	0	42	-1.0	-51.09	335.77	7.55	-43.54
COC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=CS1	REAL300007754032	0	36	-1.0	-51.07	304.40	3.98	-47.09
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007754033	0	45	-1.0	-47.91	349.94	6.01	-41.90
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754034	0	44	-1.0	-48.44	349.16	5.44	-43.00
CCC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)O1	REAL300007754035	0	38	-1.0	-52.29	314.10	5.17	-47.12
CN(C1CCCCCC1)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754036	0	49	-1.0	-49.59	357.64	6.55	-43.04
CN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007754037	0	49	-1.0	-52.55	379.19	4.42	-48.13
CC(F)(F)C1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1	REAL300007754038	0	41	-1.0	-48.60	339.96	7.00	-41.60
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007754039	0	39	-1.0	-50.61	327.92	5.16	-45.45
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007754040	0	50	-1.0	-50.10	384.89	8.27	-41.83
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300007754041	0	36	-1.0	-49.86	309.89	3.91	-45.95
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300007754042	0	46	-1.0	-55.85	355.27	7.64	-48.21
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007754043	0	43	-1.0	-50.13	344.90	5.68	-44.45
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007754044	0	38	-1.0	-48.75	319.62	4.17	-44.58
CCOCC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007754045	0	45	-1.0	-50.97	365.57	6.27	-44.70
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754046	0	45	-1.0	-51.41	368.28	6.80	-44.61
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007754047	0	48	-1.0	-52.06	374.41	6.52	-45.54
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007754048	0	46	-1.0	-50.30	375.42	8.33	-41.97
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300007754049	0	38	-1.0	-50.60	300.21	6.02	-44.58
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC(C)=C1Br	REAL300007754050	0	41	-1.0	-48.20	346.39	7.33	-40.87
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007754051	0	44	-1.0	-52.13	335.51	7.83	-44.30
CN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300007754052	0	45	-1.0	-52.43	360.23	6.71	-45.72
CC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007754053	0	39	-1.0	-50.76	325.21	6.74	-44.02
CC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300007754054	0	39	-1.0	-49.96	340.65	7.32	-42.64
CC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300007754055	0	39	-1.0	-50.12	340.09	7.30	-42.82
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007754056	0	40	-1.0	-57.16	332.49	-0.52	-57.68
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007754057	0	38	-1.0	-55.13	312.49	5.83	-49.30
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007754058	0	41	-1.0	-49.99	323.50	6.10	-43.89
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007754059	0	37	-1.0	-54.68	318.96	4.96	-49.72
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300007754060	0	43	-1.0	-50.56	339.52	2.65	-47.91
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2COCCO2)C1	REAL300007754061	0	40	-1.0	-53.89	317.11	2.94	-50.95
CC1=NC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007754062	0	44	-1.0	-56.69	365.69	4.60	-52.09
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007754063	0	52	-1.0	-50.66	365.02	8.48	-42.18
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCN2C=NN=N2)C1	REAL300007754064	0	36	-1.0	-55.61	299.98	3.33	-52.28
CC1(C)COC(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300007754065	0	45	-1.0	-51.64	344.81	4.66	-46.98
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007754066	0	38	-1.0	-57.97	316.20	1.14	-56.83
CC(C)(CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1)C(C)(F)F	REAL300007754067	0	43	-1.0	-50.49	324.16	5.93	-44.56
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCCCS(C)(=O)=O)C1	REAL300007754068	0	43	-1.0	-61.71	355.65	2.29	-59.42
CC1(C)CCC(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)OC1	REAL300007754069	0	48	-1.0	-53.80	358.64	5.79	-48.01
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300007754070	0	45	-1.0	-50.07	358.60	7.90	-42.17
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007754071	0	39	-1.0	-53.41	336.62	4.63	-48.78
CC1(C(=O)[O-])CCCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007754072	0	45	-1.0	-51.45	366.66	8.32	-43.13
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007754073	0	44	-1.0	-55.14	341.52	2.97	-52.17
COCCC1(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300007754074	0	42	-1.0	-50.36	332.52	4.81	-45.55
CCN1N=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300007754075	0	37	-1.0	-48.74	307.80	2.30	-46.44
CC1(C(=O)[O-])CCCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007754076	0	48	-1.0	-50.65	352.82	7.49	-43.16
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007754077	0	39	-1.0	-48.23	330.85	6.84	-41.39
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=CC=C21	REAL300007754078	0	57	-1.0	-49.91	418.35	9.77	-40.14
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007754079	0	46	-1.0	-50.60	360.95	6.49	-44.11
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754080	0	40	-1.0	-51.86	306.55	2.11	-49.75
CCC1=NNC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754081	0	38	-1.0	-50.09	304.51	3.02	-47.07
COC1=CSC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1OC	REAL300007754082	0	40	-1.0	-51.04	338.98	4.10	-46.94
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007754083	0	47	-1.0	-49.11	343.54	5.95	-43.16
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754084	0	46	-1.0	-49.50	366.28	7.42	-42.08
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007754085	0	39	-1.0	-52.69	337.62	6.40	-46.29
COC1=CC(F)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300007754086	0	39	-1.0	-51.72	324.63	5.04	-46.68
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007754087	0	39	-1.0	-49.49	334.14	5.23	-44.26
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754088	0	41	-1.0	-49.70	332.05	5.57	-44.13
CN1C=CC2=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=CC=C21	REAL300007754089	0	42	-1.0	-54.93	341.73	7.33	-47.60
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300007754090	0	44	-1.0	-50.39	366.89	6.08	-44.31
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754091	0	48	-1.0	-50.67	380.67	8.01	-42.66
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007754092	0	46	-1.0	-49.41	375.29	8.28	-41.13
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754093	0	41	-1.0	-58.52	328.92	7.48	-51.04
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007754094	0	36	-1.0	-54.48	328.57	4.40	-50.08
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007754095	0	46	-1.0	-50.23	372.33	7.21	-43.02
CCN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007754096	0	45	-1.0	-52.82	361.34	6.21	-46.61
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300007754097	0	39	-1.0	-51.28	321.25	4.67	-46.61
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007754098	0	41	-1.0	-50.20	351.29	8.37	-41.83
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300007754099	0	45	-1.0	-50.03	378.97	9.52	-40.51
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007754100	0	34	-1.0	-55.82	314.56	3.44	-52.38
CCC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300007754101	0	41	-1.0	-48.00	347.70	7.46	-40.54
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007754102	0	48	-1.0	-50.53	376.57	6.75	-43.78
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(Cl)OC=C2)C1	REAL300007754103	0	32	-1.0	-50.22	283.23	3.94	-46.28
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007754104	0	32	-1.0	-48.08	295.86	5.02	-43.06
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007754105	0	49	-1.0	-53.82	391.59	5.86	-47.96
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007754106	0	41	-1.0	-54.00	340.12	8.06	-45.94
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754107	0	43	-1.0	-50.66	337.42	3.24	-47.42
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007754108	0	42	-1.0	-49.80	323.22	7.28	-42.52
CC1(C)CCN(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300007754109	0	46	-1.0	-48.69	341.83	5.69	-43.00
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007754110	0	50	-1.0	-50.96	388.62	5.85	-45.11
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754111	0	38	-1.0	-48.96	327.72	3.26	-45.70
COC1=NC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C	REAL300007754112	0	41	-1.0	-50.10	333.96	2.86	-47.24
CC(C)CN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007754113	0	44	-1.0	-49.36	350.97	5.74	-43.62
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754114	0	44	-1.0	-51.44	346.27	4.91	-46.53
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007754115	0	45	-1.0	-53.04	345.57	2.89	-50.15
COCC1=CC(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=NO1	REAL300007754116	0	41	-1.0	-53.80	342.99	3.47	-50.33
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007754117	0	40	-1.0	-52.41	345.55	7.76	-44.65
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)N=C1	REAL300007754118	0	46	-1.0	-54.33	359.63	5.85	-48.48
CC(C)N1N=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754119	0	41	-1.0	-48.57	330.93	4.81	-43.76
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300007754120	0	42	-1.0	-46.92	328.54	5.48	-41.44
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007754121	0	42	-1.0	-52.85	344.31	6.63	-46.22
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CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754560	0	36	-1.0	-53.69	276.50	6.20	-47.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007754561	0	37	-1.0	-60.88	321.67	7.01	-53.87
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754562	0	41	-1.0	-72.03	343.33	1.54	-70.49
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754563	0	42	-1.0	-59.95	339.92	6.68	-53.27
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007754564	0	37	-1.0	-57.98	306.84	5.55	-52.43
COCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754565	0	38	-1.0	-58.78	311.58	4.60	-54.18
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300007754566	0	37	-1.0	-55.23	306.56	2.44	-52.79
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007754567	0	40	-1.0	-71.51	341.55	3.07	-68.44
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007754568	0	36	-1.0	-76.49	308.36	1.05	-75.44
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1C	REAL300007754569	0	41	-1.0	-43.34	309.05	4.75	-38.59
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007754570	0	36	-1.0	-53.78	313.48	4.70	-49.08
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007754571	0	34	-1.0	-60.26	303.90	6.40	-53.86
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007754572	0	36	-1.0	-60.36	298.41	5.24	-55.12
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754573	0	48	-1.0	-60.46	394.55	4.05	-56.41
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007754574	0	41	-1.0	-52.73	325.44	-0.13	-52.86
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007754575	0	40	-1.0	-60.88	325.46	6.13	-54.75
CCN1N=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1C	REAL300007754576	0	40	-1.0	-50.40	309.36	4.10	-46.30
CC(C)CN1C=NC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754577	0	40	-1.0	-62.71	322.57	6.37	-56.34
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007754578	0	43	-1.0	-43.03	306.67	7.01	-36.02
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007754579	0	44	-1.0	-50.97	356.82	7.06	-43.91
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007754580	0	39	-1.0	-65.46	323.74	4.25	-61.21
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007754581	0	37	-1.0	-41.87	322.82	5.41	-36.46
COC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1OC	REAL300007754582	0	39	-1.0	-43.70	323.26	3.99	-39.71
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(OC)C=C1Br	REAL300007754583	0	39	-1.0	-44.35	332.74	4.35	-40.00
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Br	REAL300007754584	0	34	-1.0	-58.36	296.98	6.02	-52.34
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007754585	0	37	-1.0	-44.06	304.73	6.74	-37.32
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007754586	0	36	-1.0	-40.43	298.18	5.95	-34.48
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007754587	0	35	-1.0	-56.35	302.94	4.47	-51.88
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007754588	0	38	-1.0	-46.30	319.53	5.85	-40.45
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754589	0	46	-1.0	-52.13	348.94	5.43	-46.70
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007754590	0	34	-1.0	-59.03	290.69	5.79	-53.24
COCC1=CC=C(OC)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754591	0	42	-1.0	-48.63	337.47	3.89	-44.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891001	0	42	-1.0	-63.42	347.85	8.56	-54.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891002	0	43	-1.0	-61.85	363.52	7.98	-53.87
CC1=CC=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C=C1C(=O)[O-]	REAL300007891003	0	42	-1.0	-59.53	355.97	8.64	-50.89
CC1(C)CN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C2=CC(F)=CC=C21	REAL300007891004	0	36	-1.0	-62.74	325.50	7.70	-55.04
CC1(C)CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891005	0	39	-1.0	-52.01	339.95	8.10	-43.91
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC(F)=CC=C21	REAL300007891006	0	39	-1.0	-50.06	339.93	8.11	-41.95
CC1(C)CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891007	0	39	-1.0	-68.01	331.50	8.99	-59.02
CC1(C)CN(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891008	0	37	-1.0	-50.47	328.47	5.83	-44.64
CC1(C)CN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C2=CC(F)=CC=C21	REAL300007891009	0	39	-1.0	-52.70	344.51	6.24	-46.46
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC(F)=CC=C21	REAL300007891010	0	36	-1.0	-48.20	332.20	7.23	-40.97
CC1(C)CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891011	0	36	-1.0	-54.34	316.05	5.16	-49.18
CC1(C)CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891012	0	39	-1.0	-68.01	331.50	8.99	-59.02
CC1(C)CN(S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891013	0	39	-1.0	-60.50	348.62	9.66	-50.84
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC(F)=CC=C21	REAL300007891014	0	36	-1.0	-49.53	324.70	6.47	-43.06
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)O1	REAL300007891015	0	39	-1.0	-50.97	342.95	6.94	-44.03
CC1(C)CN(S(=O)(=O)CCCC(=O)[O-])C2=CC(F)=CC=C21	REAL300007891016	0	38	-1.0	-53.64	326.01	6.74	-46.90
CC1(C)CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C2=CC(F)=CC=C21	REAL300007891017	0	42	-1.0	-58.37	363.79	8.84	-49.53
CC1(C)CN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891018	0	42	-1.0	-58.79	363.78	8.83	-49.96
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC(F)=CC=C21	REAL300007891019	0	36	-1.0	-49.53	324.70	6.47	-43.06
CC1(C)CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=CC(F)=CC=C21	REAL300007891020	0	43	-1.0	-49.67	371.02	8.39	-41.28
CC1(C)CN(S(=O)(=O)CCCC(=O)[O-])C2=CC(F)=CC=C21	REAL300007891021	0	38	-1.0	-53.64	326.01	6.74	-46.90
CC1(C)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC(F)=CC=C21	REAL300007891022	0	36	-1.0	-49.73	333.14	7.13	-42.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)=C1C	REAL300007891023	0	45	-1.0	-64.85	365.65	9.11	-55.74
CC1=CC=CC(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)=C1C(=O)[O-]	REAL300007891024	0	42	-1.0	-72.13	356.17	9.16	-62.97
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)=C1	REAL300007891025	0	46	-1.0	-52.98	395.00	7.81	-45.17
CC1(C)CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891026	0	36	-1.0	-56.77	331.59	7.15	-49.62
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891027	0	42	-1.0	-57.11	351.25	8.81	-48.30
CC1(C)CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC(F)=CC=C21	REAL300007891028	0	42	-1.0	-50.88	362.11	8.89	-41.99
CC1(C)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C2=CC(F)=CC=C21	REAL300007891029	0	36	-1.0	-52.55	324.95	6.21	-46.34
CC1(C)CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891030	0	42	-1.0	-52.43	362.11	8.88	-43.55
CC1=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C=C(C(=O)[O-])O1	REAL300007891031	0	39	-1.0	-51.48	336.68	7.03	-44.45
CC1(C)CN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891032	0	38	-1.0	-52.22	335.13	6.31	-45.91
CC1(C)CN(S(=O)(=O)C2=CSN=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891033	0	35	-1.0	-65.47	320.80	6.23	-59.24
CC1(C)CN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C2=CC(F)=CC=C21	REAL300007891034	0	35	-1.0	-55.46	315.96	5.56	-49.90
CC1(C)CN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891035	0	38	-1.0	-69.94	328.21	7.16	-62.78
CC1(C)CN(S(=O)(=O)CCCCCC(=O)[O-])C2=CC(F)=CC=C21	REAL300007891036	0	44	-1.0	-54.40	369.00	8.30	-46.10
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C2=CC(F)=CC=C21	REAL300007891037	0	38	-1.0	-51.25	335.80	6.31	-44.94
CC1(C)CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891038	0	39	-1.0	-46.90	356.66	8.61	-38.29
COC1=CC=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C=C1C(=O)[O-]	REAL300007891039	0	43	-1.0	-57.44	367.24	8.17	-49.27
CC1=CC(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)=CC=C1C(=O)[O-]	REAL300007891040	0	42	-1.0	-49.22	355.97	8.65	-40.57
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)=C1	REAL300007891041	0	46	-1.0	-52.98	395.00	7.81	-45.17
CC1(C)CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891042	0	39	-1.0	-46.90	356.66	8.61	-38.29
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891043	0	39	-1.0	-51.50	333.17	8.29	-43.21
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891044	0	42	-1.0	-47.16	371.04	9.39	-37.77
CC1(C)CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C2=CC(F)=CC=C21	REAL300007891045	0	42	-1.0	-58.37	363.79	8.84	-49.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891046	0	43	-1.0	-61.85	363.52	7.98	-53.87
CC1=CC=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C=C1C(=O)[O-]	REAL300007891047	0	42	-1.0	-59.53	355.97	8.64	-50.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891048	0	42	-1.0	-63.42	347.85	8.56	-54.86
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891049	0	43	-1.0	-45.87	365.92	8.17	-37.70
CC1(C)CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C2=CC(F)=CC=C21	REAL300007891050	0	42	-1.0	-49.57	350.34	8.00	-41.57
CC1(C)CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891051	0	42	-1.0	-52.43	362.11	8.88	-43.55
COC1=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)SC(C(=O)[O-])=C1	REAL300007891052	0	40	-1.0	-50.14	362.44	6.61	-43.53
CC1(C)CN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C2=CC(F)=CC=C21	REAL300007891053	0	44	-1.0	-49.59	376.74	8.78	-40.81
CC1(C)CN(S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=CC(F)=CC=C21	REAL300007891054	0	46	-1.0	-54.14	384.52	9.95	-44.19
CCC1=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C=C(C(=O)[O-])O1	REAL300007891055	0	42	-1.0	-57.87	358.35	7.75	-50.12
CC1(C)CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891056	0	41	-1.0	-62.63	358.25	9.69	-52.94
CC1(C)CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891057	0	41	-1.0	-54.87	358.38	9.71	-45.16
CC1=NC=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C=C1C(=O)[O-]	REAL300007891058	0	41	-1.0	-51.99	351.41	6.82	-45.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891059	0	43	-1.0	-50.87	363.54	7.98	-42.89
COC1=CC(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)=CC=C1C(=O)[O-]	REAL300007891060	0	43	-1.0	-55.52	367.23	8.18	-47.34
COC1=CC=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C(CC(=O)[O-])=C1	REAL300007891061	0	46	-1.0	-63.78	383.07	8.36	-55.42
CC1(C)CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C2=CC(F)=CC=C21	REAL300007891062	0	42	-1.0	-50.92	367.59	8.93	-41.99
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C=C1	REAL300007891063	0	48	-1.0	-51.10	394.87	9.78	-41.32
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891064	0	39	-1.0	-49.87	326.30	6.15	-43.72
CC1(C)CN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C2=CC(F)=CC=C21	REAL300007891065	0	45	-1.0	-52.03	370.52	9.98	-42.05
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)=C1	REAL300007891066	0	39	-1.0	-56.62	342.67	7.07	-49.55
CC1(C)CN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891067	0	39	-1.0	-57.31	352.45	8.50	-48.81
CC1(C)CN(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C2=CC(F)=CC=C21	REAL300007891068	0	36	-1.0	-64.57	321.30	6.51	-58.06
CC1(C)CN(S(=O)(=O)C2(C(=O)[O-])CCC2)C2=CC(F)=CC=C21	REAL300007891069	0	39	-1.0	-48.65	315.58	6.74	-41.91
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)=C1	REAL300007891070	0	43	-1.0	-67.30	362.39	8.46	-58.84
CC1(C)CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891071	0	36	-1.0	-54.34	316.05	5.16	-49.18
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891072	0	39	-1.0	-49.87	326.30	6.15	-43.72
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891073	0	41	-2.0	-141.96	366.80	9.07	-132.89
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891074	0	46	-1.0	-51.93	387.60	8.05	-43.88
CC1(C)CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2=CC(F)=CC=C21	REAL300007891075	0	36	-1.0	-47.68	339.60	6.76	-40.92
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C2=CC(F)=CC=C21	REAL300007891076	0	45	-1.0	-54.03	370.06	9.99	-44.04
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891077	0	46	-1.0	-61.44	384.79	8.88	-52.56
COC1=CC=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C(C(=O)[O-])=C1	REAL300007891078	0	43	-1.0	-71.13	359.49	8.33	-62.80
CC1(C)CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891079	0	36	-1.0	-47.01	323.42	4.37	-42.64
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C)C2=CC=C(F)C=C21	REAL300007891080	0	39	-1.0	-56.18	341.42	5.89	-50.29
CC1(C)CN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C2=CC(F)=CC=C21	REAL300007891081	0	45	-1.0	-52.87	385.85	10.37	-42.50
CC1(C)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC(F)=CC=C21	REAL300007891082	0	39	-1.0	-53.38	330.06	7.25	-46.13
CC1(C)CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC(F)=CC=C21	REAL300007891083	0	42	-1.0	-57.30	340.65	7.52	-49.78
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)S1	REAL300007891084	0	39	-1.0	-54.76	350.02	7.79	-46.97
CC1(C)CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891085	0	45	-1.0	-73.87	378.22	11.43	-62.44
CC1(C)CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C2=CC(F)=CC=C21	REAL300007891086	0	42	-1.0	-63.35	353.61	9.07	-54.28
CC1(C)CN(S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C2=CC(F)=CC=C21	REAL300007891087	0	42	-1.0	-74.28	366.29	6.75	-67.53
CC1(C)CN(S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C2=CC(F)=CC=C21	REAL300007891088	0	42	-1.0	-47.35	366.54	9.36	-37.99
CC1(C)CN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891089	0	39	-1.0	-57.23	336.67	7.43	-49.80
CC1(C)CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891090	0	36	-1.0	-47.01	323.42	4.37	-42.64
CC1(C)CN(S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C2=CC(F)=CC=C21	REAL300007891091	0	36	-1.0	-58.45	343.79	8.38	-50.07
CC1(C)CN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891092	0	39	-1.0	-63.32	321.77	7.90	-55.42
CC1=CC(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)=CN=C1C(=O)[O-]	REAL300007891093	0	41	-1.0	-51.35	352.62	6.85	-44.50
CC1(C)CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C2=CC(F)=CC=C21	REAL300007891094	0	42	-1.0	-63.35	353.61	9.07	-54.28
CCOC1=CC=C(S(=O)(=O)N2CC(C)(C)C3=CC=C(F)C=C32)C=C1C(=O)[O-]	REAL300007891095	0	46	-1.0	-57.84	389.08	9.08	-48.76
CC1(C)CN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=CC(F)=CC=C21	REAL300007891096	0	46	-1.0	-49.67	384.01	9.97	-39.70
CC1(C)CN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C2=CC(F)=CC=C21	REAL300007891097	0	38	-1.0	-60.24	327.10	7.17	-53.07
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)CO1	REAL300007891098	0	39	-1.0	-47.97	326.44	4.88	-43.09
CCC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)CO1	REAL300007891099	0	39	-1.0	-51.93	326.45	4.87	-47.06
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)CO1	REAL300007891100	0	42	-1.0	-54.36	325.77	5.35	-49.01
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)CO1	REAL300007891101	0	43	-1.0	-53.68	344.24	4.69	-48.99
CCC1CN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)CO1	REAL300007891102	0	42	-1.0	-51.46	342.46	5.41	-46.05
CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C(C)CO1	REAL300007891103	0	36	-1.0	-47.82	294.60	4.11	-43.71
CCC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)CO1	REAL300007891104	0	39	-1.0	-51.93	326.45	4.87	-47.06
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)CO1	REAL300007891105	0	39	-1.0	-47.97	326.44	4.88	-43.09
CCC1CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(C)CO1	REAL300007891106	0	39	-1.0	-51.62	300.91	5.03	-46.59
CCC1CN(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C(C)CO1	REAL300007891107	0	37	-1.0	-49.38	303.80	2.57	-46.81
CCC1CN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C(C)CO1	REAL300007891108	0	39	-1.0	-50.89	330.99	3.01	-47.88
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)CO1	REAL300007891109	0	36	-1.0	-46.83	306.69	3.84	-42.99
CCC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C(C)CO1	REAL300007891110	0	36	-1.0	-56.49	303.81	1.83	-54.66
CCC1CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)CO1	REAL300007891111	0	44	-1.0	-49.10	344.66	4.04	-45.06
CCC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)CO1	REAL300007891112	0	44	-1.0	-50.39	342.82	4.05	-46.34
CCC1CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(C)CO1	REAL300007891113	0	39	-1.0	-51.62	300.91	5.03	-46.59
CCC1CN(S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C(C)CO1	REAL300007891114	0	39	-1.0	-56.59	331.12	6.39	-50.20
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(C)CO1	REAL300007891115	0	36	-1.0	-49.07	311.20	3.25	-45.82
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C(C)CO1	REAL300007891116	0	39	-1.0	-49.33	319.57	3.72	-45.61
CCC1CN(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)CO1	REAL300007891117	0	41	-1.0	-56.91	316.14	3.55	-53.36
CCC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)CO1	REAL300007891118	0	42	-1.0	-56.13	349.55	5.65	-50.48
CCC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)CO1	REAL300007891119	0	44	-1.0	-50.39	342.82	4.05	-46.34
CCC1CN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C(C)CO1	REAL300007891120	0	42	-1.0	-57.39	341.44	5.63	-51.76
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(C)CO1	REAL300007891121	0	36	-1.0	-49.07	311.20	3.25	-45.82
CCC1CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)CO1	REAL300007891122	0	43	-1.0	-47.62	357.52	5.16	-42.46
CCC1CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2OC)C(C)CO1	REAL300007891123	0	43	-1.0	-45.02	363.06	5.85	-39.17
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)CO1	REAL300007891124	0	36	-1.0	-48.05	308.16	3.86	-44.19
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C)CO1	REAL300007891125	0	45	-1.0	-55.78	342.57	5.90	-49.88
CCC1CN(S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C(C)CO1	REAL300007891126	0	42	-1.0	-54.35	333.75	5.78	-48.57
CCC1CN(S(=O)(=O)C2=CC(COC)=CC(C(=O)[O-])=C2)C(C)CO1	REAL300007891127	0	46	-1.0	-52.89	380.84	4.63	-48.26
CCC1CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)CO1	REAL300007891128	0	36	-1.0	-50.33	317.45	3.96	-46.37
CCC1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])C(C)CO1	REAL300007891129	0	42	-1.0	-43.38	339.83	6.05	-37.33
CCC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)CO1	REAL300007891130	0	42	-1.0	-50.43	323.93	5.33	-45.10
CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)C(C)CO1	REAL300007891131	0	42	-1.0	-53.61	347.14	6.84	-46.77
CCC1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)CO1	REAL300007891132	0	42	-1.0	-46.52	348.63	5.66	-40.86
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)C(C)CO1	REAL300007891133	0	44	-1.0	-41.54	364.02	5.95	-35.59
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C(C)CO1	REAL300007891134	0	36	-1.0	-48.34	302.58	3.12	-45.22
CCC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)CO1	REAL300007891135	0	42	-1.0	-48.50	348.62	5.65	-42.85
CCC1CN(S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(C)CO1	REAL300007891136	0	39	-1.0	-52.12	319.58	3.68	-48.44
CCC1CN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C(C)CO1	REAL300007891137	0	38	-1.0	-46.03	320.96	3.09	-42.94
CCC1CN(S(=O)(=O)C2=CSN=C2C(=O)[O-])C(C)CO1	REAL300007891138	0	35	-1.0	-63.66	306.33	3.09	-60.57
CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(C)CO1	REAL300007891139	0	35	-1.0	-64.14	304.07	2.56	-61.58
CCC1CN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C(C)CO1	REAL300007891140	0	38	-1.0	-67.06	309.82	4.04	-63.02
CCC1CN(S(=O)(=O)CCCCCC(=O)[O-])C(C)CO1	REAL300007891141	0	44	-1.0	-51.36	346.46	5.09	-46.27
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C(C)CO1	REAL300007891142	0	38	-1.0	-50.09	322.31	3.09	-47.00
CCC1CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(C)CO1	REAL300007891143	0	39	-1.0	-46.47	342.50	5.43	-41.04
CCC1CN(S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C(C)CO1	REAL300007891144	0	39	-1.0	-46.50	347.07	5.53	-40.97
CCC1CN(S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(C)CO1	REAL300007891145	0	43	-1.0	-57.61	353.73	4.95	-52.66
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C)CO1	REAL300007891146	0	42	-1.0	-47.40	342.44	5.42	-41.98
CCC1CN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C(C)CO1	REAL300007891147	0	44	-1.0	-51.72	345.04	4.98	-46.74
CCC1CN(S(=O)(=O)C2=CC(COC)=CC(C(=O)[O-])=C2)C(C)CO1	REAL300007891148	0	46	-1.0	-52.89	380.84	4.63	-48.26
CCC1CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(C)CO1	REAL300007891149	0	39	-1.0	-46.47	342.50	5.43	-41.04
CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C(C)CO1	REAL300007891150	0	39	-1.0	-48.70	306.89	4.87	-43.83
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)CO1	REAL300007891151	0	42	-1.0	-48.47	340.80	5.72	-42.75
CCC1CN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])=C(C)C3=C2)C(C)CO1	REAL300007891152	0	45	-1.0	-50.11	362.09	6.13	-43.98
CCC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)CO1	REAL300007891153	0	42	-1.0	-56.13	349.55	5.65	-50.48
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(C)CO1	REAL300007891154	0	43	-1.0	-53.68	344.24	4.69	-48.99
CCC1CN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)CO1	REAL300007891155	0	42	-1.0	-51.46	342.46	5.41	-46.05
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)CO1	REAL300007891156	0	42	-1.0	-54.36	325.77	5.35	-49.01
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2OC)C(C)CO1	REAL300007891157	0	43	-1.0	-45.65	358.26	4.91	-40.74
CCC1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C(C)CO1	REAL300007891158	0	42	-1.0	-48.26	327.95	4.82	-43.44
CCC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)CO1	REAL300007891159	0	42	-1.0	-48.50	348.62	5.65	-42.85
CCC1CN(S(=O)(=O)C2=C(OC)C=C(C(=O)[O-])S2)C(C)CO1	REAL300007891160	0	40	-1.0	-46.38	336.16	4.04	-42.34
CCC1CN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C(C)CO1	REAL300007891161	0	44	-1.0	-48.45	351.58	5.47	-42.98
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C)CO1	REAL300007891162	0	42	-1.0	-46.68	356.56	5.68	-41.00
CCC1CN(S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C)CO1	REAL300007891163	0	46	-1.0	-51.97	372.55	6.75	-45.22
CCC1=C(S(=O)(=O)N2CC(CC)OCC2C)C=C(C(=O)[O-])O1	REAL300007891164	0	42	-1.0	-51.67	342.30	4.42	-47.25
CCC1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)CO1	REAL300007891165	0	41	-1.0	-57.76	342.64	6.55	-51.21
CCC1CN(S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)C(C)CO1	REAL300007891166	0	42	-1.0	-49.44	352.66	6.29	-43.15
CCC1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C(C)CO1	REAL300007891167	0	41	-1.0	-39.92	328.96	5.71	-34.21
CCC1CN(S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C(C)CO1	REAL300007891168	0	41	-1.0	-45.59	337.91	3.59	-42.00
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(C)CO1	REAL300007891169	0	43	-1.0	-47.98	344.44	4.74	-43.24
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)C(C)CO1	REAL300007891170	0	43	-1.0	-53.45	353.72	4.96	-48.49
CCC1CN(S(=O)(=O)C2=CC=C(OC)C=C2CC(=O)[O-])C(C)CO1	REAL300007891171	0	46	-1.0	-61.75	366.98	5.24	-56.51
CCC1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C(C)CO1	REAL300007891172	0	42	-1.0	-49.93	343.10	5.63	-44.30
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(C)CO1	REAL300007891173	0	42	-1.0	-45.16	364.82	5.92	-39.24
CCC1CN(S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)CO1	REAL300007891174	0	48	-1.0	-48.92	378.91	6.55	-42.37
CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)CO1	REAL300007891175	0	39	-1.0	-50.30	315.98	3.20	-47.10
CCC1CN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(C)CO1	REAL300007891176	0	45	-1.0	-50.03	348.82	6.76	-43.27
CCC1CN(S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C(C)CO1	REAL300007891177	0	39	-1.0	-50.23	329.14	3.85	-46.38
CCC1CN(S(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])C(C)CO1	REAL300007891178	0	39	-1.0	-56.52	335.67	6.48	-50.04
CCC1CN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)CO1	REAL300007891179	0	39	-1.0	-49.42	328.02	5.21	-44.21
CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C(C)CO1	REAL300007891180	0	36	-1.0	-58.13	304.91	3.64	-54.49
CCC1CN(S(=O)(=O)C2=CC(OC)=CC=C2C(=O)[O-])C(C)CO1	REAL300007891181	0	43	-1.0	-49.47	330.86	4.38	-45.09
CCC1CN(S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC(OC)=C2OC)C(C)CO1	REAL300007891182	0	51	-1.0	-49.25	399.46	5.92	-43.33
CCC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C(C)CO1	REAL300007891183	0	36	-1.0	-56.49	303.81	1.83	-54.66
CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)CO1	REAL300007891184	0	39	-1.0	-50.30	315.98	3.20	-47.10
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)CO1	REAL300007891185	0	41	-2.0	-135.40	353.31	5.84	-129.56
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2COC)C(C)CO1	REAL300007891186	0	46	-1.0	-52.92	365.83	4.61	-48.31
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)CO1	REAL300007891187	0	38	-1.0	-49.09	314.73	3.28	-45.81
CCC1CN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C(C)CO1	REAL300007891188	0	42	-1.0	-54.59	340.25	6.02	-48.57
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)CO1	REAL300007891189	0	36	-1.0	-45.20	326.10	3.53	-41.67
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C(C)CO1	REAL300007891190	0	45	-1.0	-50.07	344.56	6.49	-43.58
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(CC)OCC1C	REAL300007891191	0	46	-1.0	-53.33	366.07	5.61	-47.72
CCC1CN(S(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])C(C)CO1	REAL300007891192	0	43	-1.0	-65.43	343.86	5.17	-60.26
CCC1CN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C(C)CO1	REAL300007891193	0	38	-1.0	-53.66	311.58	3.05	-50.61
CCC1CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(C)CO1	REAL300007891194	0	36	-1.0	-42.97	300.95	1.36	-41.61
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C(C)CO1	REAL300007891195	0	39	-1.0	-53.69	315.85	2.66	-51.03
CCC1CN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C(C)CO1	REAL300007891196	0	45	-1.0	-51.04	371.68	7.16	-43.88
CCC1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)CO1	REAL300007891197	0	42	-1.0	-54.07	323.95	4.54	-49.53
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C(C)CO1	REAL300007891198	0	39	-1.0	-48.02	324.55	4.40	-43.62
CCC1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C)CO1	REAL300007891199	0	45	-1.0	-68.48	353.44	8.02	-60.46
CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)C(C)CO1	REAL300007891200	0	42	-1.0	-44.87	335.48	5.98	-38.89
CCC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)CO1	REAL300007891201	0	42	-1.0	-56.99	323.80	5.86	-51.13
CCC1CN(S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C(C)CO1	REAL300007891202	0	39	-1.0	-47.35	355.48	5.49	-41.86
CCC1CN(S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C(C)CO1	REAL300007891203	0	42	-1.0	-62.22	354.35	3.48	-58.74
CCC1CN(S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C(C)CO1	REAL300007891204	0	42	-1.0	-44.15	343.99	6.45	-37.70
CCC1CN(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)CO1	REAL300007891205	0	44	-1.0	-47.50	319.35	4.93	-42.57
CCC1CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(C)CO1	REAL300007891206	0	36	-1.0	-42.97	300.95	1.36	-41.61
CCC1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)CO1	REAL300007891207	0	41	-1.0	-44.49	309.61	3.37	-41.12
CCC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C(C)CO1	REAL300007891208	0	36	-1.0	-56.49	303.81	1.83	-54.66
CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C(C)CO1	REAL300007891209	0	36	-1.0	-42.60	311.52	4.71	-37.89
CCC1CN(S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C(C)CO1	REAL300007891210	0	41	-1.0	-50.56	339.07	3.63	-46.93
CCC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)CO1	REAL300007891211	0	42	-1.0	-56.99	323.80	5.86	-51.13
CCOC1=CC=C(S(=O)(=O)N2CC(CC)OCC2C)C=C1C(=O)[O-]	REAL300007891212	0	46	-1.0	-58.05	375.59	5.86	-52.19
CCC1CN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C)CO1	REAL300007891213	0	46	-1.0	-51.66	371.88	6.76	-44.90
CCC1CN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C(C)CO1	REAL300007891214	0	38	-1.0	-43.75	292.79	2.96	-40.79
CCC1CN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)C(C)CO1	REAL300007891215	0	44	-1.0	-54.23	367.54	5.31	-48.92
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCC2=CC=C(Cl)C=C21	REAL300007891216	0	42	-1.0	-48.47	359.50	8.59	-39.88
CC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891217	0	42	-1.0	-53.42	358.75	8.62	-44.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300007891218	0	45	-1.0	-55.52	359.35	8.81	-46.71
CC1=CC=C(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)C=C1C(=O)[O-]	REAL300007891219	0	45	-1.0	-52.72	374.80	9.17	-43.55
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)CCC2=CC=C(Cl)C=C21	REAL300007891220	0	39	-1.0	-58.84	340.64	8.19	-50.65
CC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891221	0	42	-1.0	-53.42	358.75	8.62	-44.80
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCC2=CC=C(Cl)C=C21	REAL300007891222	0	42	-1.0	-48.47	359.50	8.59	-39.88
CC1CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891223	0	42	-1.0	-63.42	345.66	9.60	-53.82
CC1CN(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891224	0	40	-1.0	-51.50	347.25	6.34	-45.16
CC1CN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CCC2=CC=C(Cl)C=C21	REAL300007891225	0	42	-1.0	-48.65	364.06	6.72	-41.93
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)CCC2=CC=C(Cl)C=C21	REAL300007891226	0	39	-1.0	-46.94	351.75	7.71	-39.23
CC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891227	0	39	-1.0	-49.94	332.14	5.50	-44.44
CC1CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CCC2=CC=C(Cl)C=C21	REAL300007891228	0	47	-1.0	-48.44	374.38	7.66	-40.78
CC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC2=CC=C(Cl)C=C21	REAL300007891229	0	47	-1.0	-45.73	376.30	8.14	-37.59
CC1CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891230	0	42	-1.0	-63.42	345.66	9.60	-53.82
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCC2=CC=C(Cl)C=C21	REAL300007891231	0	39	-1.0	-50.77	343.49	6.99	-43.78
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)O1	REAL300007891232	0	42	-1.0	-50.44	361.72	7.46	-42.98
CC1CN(S(=O)(=O)CCCC(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891233	0	41	-1.0	-52.53	344.17	7.77	-44.76
CC1CN(S(=O)(=O)N2CCCC2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891234	0	44	-1.0	-58.16	360.55	7.44	-50.72
CC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCC2=CC=C(Cl)C=C21	REAL300007891235	0	45	-1.0	-58.41	383.31	9.31	-49.10
CC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC2=CC=C(Cl)C=C21	REAL300007891236	0	47	-1.0	-45.73	376.30	8.14	-37.59
CC1CN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891237	0	45	-1.0	-60.58	381.94	9.86	-50.72
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCC2=CC=C(Cl)C=C21	REAL300007891238	0	39	-1.0	-50.77	343.49	6.99	-43.78
CC1CN(S(=O)(=O)CCCC(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891239	0	41	-1.0	-52.53	344.17	7.77	-44.76
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCC2=CC=C(Cl)C=C21	REAL300007891240	0	39	-1.0	-49.10	352.69	7.59	-41.51
CC1=CC=CC(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)=C1C(=O)[O-]	REAL300007891241	0	45	-1.0	-51.76	356.88	9.71	-42.05
CC1CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891242	0	39	-1.0	-52.70	340.30	7.74	-44.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300007891243	0	45	-1.0	-47.76	360.44	9.29	-38.47
CC1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CCC2=CC=C(Cl)C=C21	REAL300007891244	0	45	-1.0	-48.80	381.68	9.36	-39.44
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)CCC2=CC=C(Cl)C=C21	REAL300007891245	0	39	-1.0	-48.41	344.50	6.69	-41.72
CC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891246	0	45	-1.0	-50.07	380.91	9.40	-40.67
CC1=C(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)C=C(C(=O)[O-])O1	REAL300007891247	0	42	-1.0	-53.43	347.91	7.28	-46.15
CC1CN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891248	0	41	-1.0	-45.86	354.66	6.79	-39.07
CC1CN(S(=O)(=O)C2=CSN=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891249	0	38	-1.0	-65.47	340.30	6.77	-58.70
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)CCC2=CC=C(Cl)C=C21	REAL300007891250	0	38	-1.0	-63.06	337.59	6.30	-56.76
CC1CN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891251	0	41	-1.0	-66.21	342.79	7.71	-58.50
CC1CN(S(=O)(=O)CCCCCC(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891252	0	47	-1.0	-53.61	387.17	9.33	-44.28
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CCC2=CC=C(Cl)C=C21	REAL300007891253	0	41	-1.0	-50.57	355.36	6.80	-43.77
CC1=CC(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)=CC=C1C(=O)[O-]	REAL300007891254	0	45	-1.0	-48.12	375.40	9.66	-38.46
CC1CN(S(=O)(=O)N(C)CCC(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891255	0	43	-1.0	-49.19	357.64	7.33	-41.86
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300007891256	0	42	-1.0	-51.28	351.95	8.72	-42.56
CC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCC2=CC=C(Cl)C=C21	REAL300007891257	0	45	-1.0	-58.41	383.31	9.31	-49.10
CC1=CC=C(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)C=C1C(=O)[O-]	REAL300007891258	0	45	-1.0	-52.72	374.80	9.17	-43.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300007891259	0	45	-1.0	-55.52	359.35	8.81	-46.71
CC1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCC2=CC=C(Cl)C=C21	REAL300007891260	0	45	-1.0	-52.18	368.45	8.81	-43.37
CC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891261	0	45	-1.0	-50.07	380.91	9.40	-40.67
CCC1=C(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)C=C(C(=O)[O-])O1	REAL300007891262	0	45	-1.0	-53.39	377.14	8.21	-45.18
CC1=NC=C(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)C=C1C(=O)[O-]	REAL300007891263	0	44	-1.0	-45.92	370.95	7.30	-38.62
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CCC2=CC=C(Cl)C=C21	REAL300007891264	0	42	-1.0	-51.74	349.85	6.90	-44.84
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)=C1	REAL300007891265	0	42	-1.0	-51.83	361.45	7.58	-44.25
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)CCC2=CC=C(Cl)C=C21	REAL300007891266	0	39	-1.0	-59.37	339.95	7.02	-52.35
CC1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCC2=CC=C(Cl)C=C21	REAL300007891267	0	42	-1.0	-43.29	340.04	7.68	-35.61
CC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891268	0	39	-1.0	-49.94	332.14	5.50	-44.44
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CCC2=CC=C(Cl)C=C21	REAL300007891269	0	42	-1.0	-51.74	349.85	6.90	-44.84
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CCC2=CC=C(Cl)C=C21	REAL300007891270	0	41	-1.0	-49.68	354.55	6.79	-42.89
CC1CN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891271	0	45	-1.0	-54.98	373.26	9.72	-45.26
CC1CN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891272	0	41	-1.0	-54.78	355.29	7.34	-47.44
CC1CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891273	0	39	-1.0	-44.89	342.29	4.86	-40.03
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)CCC2=CC=C(Cl)C=C21	REAL300007891274	0	42	-1.0	-54.43	359.75	6.36	-48.07
CC1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCC2=CC=C(Cl)C=C21	REAL300007891275	0	42	-1.0	-51.42	349.28	7.78	-43.64
CC1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCC2=CC=C(Cl)C=C21	REAL300007891276	0	45	-1.0	-53.43	365.88	8.34	-45.09
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)S1	REAL300007891277	0	42	-1.0	-50.31	370.09	8.33	-41.98
CC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891278	0	45	-1.0	-59.66	367.26	9.91	-49.75
CC1CN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891279	0	42	-1.0	-54.85	355.48	8.45	-46.40
CC1CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891280	0	47	-1.0	-51.40	362.14	8.35	-43.05
CC1CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCC2=CC=C(Cl)C=C21	REAL300007891281	0	39	-1.0	-44.89	342.29	4.86	-40.03
CC1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891282	0	44	-1.0	-59.69	359.68	7.66	-52.03
CC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891283	0	39	-1.0	-49.94	332.14	5.50	-44.44
CC1CN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891284	0	42	-1.0	-58.32	339.86	8.29	-50.03
CC1=CC(S(=O)(=O)N2CCC3=CC=C(Cl)C=C3C(C)C2)=CN=C1C(=O)[O-]	REAL300007891285	0	44	-1.0	-52.33	371.38	7.37	-44.96
CC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891286	0	45	-1.0	-59.66	367.26	9.91	-49.75
CC1CN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300007891287	0	41	-1.0	-55.86	341.35	7.75	-48.11
CCC(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891288	0	41	-1.0	-44.45	337.28	5.92	-38.53
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891289	0	32	-1.0	-53.42	296.44	4.88	-48.54
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CC1	REAL300007891290	0	33	-1.0	-44.19	297.65	4.50	-39.69
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891291	0	35	-1.0	-55.40	319.31	0.86	-54.54
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300007891292	0	33	-1.0	-41.08	304.55	3.11	-37.97
COC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OC	REAL300007891293	0	40	-1.0	-55.68	331.58	3.64	-52.04
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891294	0	32	-1.0	-51.01	292.90	4.87	-46.14
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300007891295	0	45	-1.0	-44.69	360.46	7.14	-37.55
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCOC3=C2)CC1	REAL300007891296	0	35	-1.0	-47.36	302.09	2.67	-44.69
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300007891297	0	29	-1.0	-55.70	277.59	4.46	-51.24
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300007891298	0	29	-1.0	-41.33	279.85	3.94	-37.39
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891299	0	34	-1.0	-62.66	291.67	5.96	-56.70
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300007891300	0	35	-1.0	-56.87	320.43	5.61	-51.26
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891301	0	39	-1.0	-45.93	340.42	0.00	-45.93
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891302	0	40	-1.0	-47.84	341.20	5.16	-42.68
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)CC1	REAL300007891303	0	35	-1.0	-48.39	303.38	3.75	-44.64
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300007891304	0	35	-1.0	-51.35	310.65	1.31	-50.04
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891305	0	38	-1.0	-54.67	343.63	1.54	-53.13
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1C	REAL300007891306	0	39	-1.0	-54.67	318.14	4.36	-50.31
O=C([O-])CC1(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CC1	REAL300007891307	0	34	-1.0	-48.41	305.57	4.19	-44.22
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(Br)C=C2)CC1	REAL300007891308	0	32	-1.0	-57.75	303.49	4.93	-52.82
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)CC1	REAL300007891309	0	34	-1.0	-54.71	302.29	4.06	-50.65
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891310	0	46	-1.0	-62.41	400.47	2.97	-59.44
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300007891311	0	38	-1.0	-55.68	334.61	4.72	-50.96
CCN1N=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300007891312	0	38	-1.0	-52.99	320.87	3.57	-49.42
CC(C)CN1C=NC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007891313	0	38	-1.0	-51.47	319.44	5.79	-45.68
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891314	0	41	-1.0	-59.35	308.41	6.42	-52.93
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CC1	REAL300007891315	0	42	-1.0	-51.09	356.93	6.45	-44.64
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007891316	0	37	-1.0	-49.29	323.85	2.88	-46.41
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)CC1	REAL300007891317	0	35	-1.0	-54.57	325.19	5.00	-49.57
COC1=CC(Cl)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OC	REAL300007891318	0	37	-1.0	-46.54	312.85	3.02	-43.52
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(OC)C=C1Br	REAL300007891319	0	37	-1.0	-46.72	336.03	3.60	-43.12
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300007891320	0	32	-1.0	-45.94	297.10	4.70	-41.24
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CC1	REAL300007891321	0	35	-1.0	-42.54	308.12	6.27	-36.27
O=C([O-])CC1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CC1	REAL300007891322	0	34	-1.0	-49.26	313.78	5.61	-43.65
COCCOC1=C(Cl)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300007891323	0	40	-1.0	-50.62	377.43	4.30	-46.32
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300007891324	0	33	-1.0	-45.87	303.02	3.15	-42.72
O=C([O-])CC1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CC1	REAL300007891325	0	36	-1.0	-49.13	305.76	5.48	-43.65
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891326	0	44	-1.0	-50.40	352.85	5.05	-45.35
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CC1	REAL300007891327	0	32	-1.0	-45.77	290.81	4.20	-41.57
COCC1=CC=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007891328	0	40	-1.0	-47.15	337.32	3.28	-43.87
COCC1=CC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NO1	REAL300007899001	0	42	-1.0	-55.24	361.90	4.05	-51.19
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N=C1	REAL300007899002	0	47	-1.0	-49.68	379.67	6.56	-43.12
CC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300007899003	0	42	-1.0	-46.26	341.93	5.11	-41.15
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2CC2CC2)C[C@H]1C1CC1	REAL300007899004	0	43	-1.0	-51.05	354.44	6.40	-44.65
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C[C@H]1C1CC1	REAL300007899005	0	43	-1.0	-51.03	356.59	7.03	-44.00
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C[C@H]1C1CC1	REAL300007899006	0	38	-1.0	-51.15	337.35	5.18	-45.97
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC3=CC=CN=C32)C[C@H]1C1CC1	REAL300007899007	0	41	-1.0	-56.53	335.95	6.26	-50.27
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=NN1C(C)C	REAL300007899008	0	45	-1.0	-51.90	357.99	5.52	-46.38
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C[C@H]1C1CC1	REAL300007899009	0	41	-1.0	-59.67	343.59	6.64	-53.03
CC1=CN=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C)=C1	REAL300007899010	0	41	-1.0	-51.47	333.41	5.45	-46.02
CC1=CN=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300007899011	0	38	-1.0	-51.28	310.63	4.87	-46.41
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC=C(Br)CC2)C[C@H]1C1CC1	REAL300007899012	0	39	-1.0	-46.66	332.26	5.59	-41.07
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300007899013	0	44	-1.0	-53.57	367.02	1.98	-51.59
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC3CCC(C2)O3)C[C@H]1C1CC1	REAL300007899014	0	43	-1.0	-52.35	338.74	4.25	-48.10
N#CC1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300007899015	0	42	-1.0	-57.55	346.20	5.62	-51.93
COC1=CC=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300007899016	0	39	-1.0	-54.31	336.69	3.69	-50.62
C=CCN(CC=C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300007899017	0	42	-1.0	-47.01	351.45	6.19	-40.82
COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C(F)F)=C1	REAL300007899018	0	43	-1.0	-48.33	362.26	6.72	-41.61
COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N=C1	REAL300007899019	0	39	-1.0	-50.34	332.69	3.53	-46.81
CC1=CC=CN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300007899020	0	38	-1.0	-50.86	316.68	5.02	-45.84
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300007899021	0	42	-1.0	-49.09	369.01	4.38	-44.71
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C[C@H]1C1CC1	REAL300007899022	0	41	-1.0	-51.73	339.34	6.34	-45.39
CCOC1=CC=CN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300007899023	0	42	-1.0	-55.33	352.55	5.47	-49.86
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=NC=CC=C12	REAL300007899024	0	44	-1.0	-57.11	353.83	7.43	-49.68
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC=N1	REAL300007899025	0	38	-1.0	-49.46	325.71	5.01	-44.45
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=CC=CC=C32)C[C@H]1C1CC1	REAL300007899026	0	40	-1.0	-53.39	338.25	5.99	-47.40
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(F)(F)C2)C[C@H]1C1CC1	REAL300007899027	0	38	-1.0	-51.61	326.74	4.71	-46.90
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CS2)C[C@H]1C1CC1	REAL300007899028	0	32	-1.0	-47.02	287.47	2.99	-44.03
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C[C@H]1C1CC1	REAL300007899029	0	38	-1.0	-53.85	339.45	5.26	-48.59
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300007899030	0	49	-1.0	-52.34	393.17	8.25	-44.09
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C1	REAL300007899031	0	39	-1.0	-51.98	338.59	4.36	-47.62
O=C([O-])C1=CC=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1	REAL300007899032	0	39	-1.0	-56.51	338.62	4.35	-52.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899033	0	42	-1.0	-60.08	356.57	5.05	-55.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899034	0	43	-1.0	-58.56	372.53	4.27	-54.29
CC1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C1C(=O)[O-]	REAL300007899035	0	42	-1.0	-57.57	358.70	5.01	-52.56
O=C([O-])C1=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=CS1	REAL300007899036	0	36	-1.0	-50.18	325.36	4.22	-45.96
O=C([O-])C1=CC=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1	REAL300007899037	0	39	-1.0	-56.51	338.62	4.35	-52.16
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C1	REAL300007899038	0	39	-1.0	-51.98	338.59	4.36	-47.62
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899039	0	39	-1.0	-54.39	333.27	6.14	-48.25
O=C([O-])C1=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=CN1	REAL300007899040	0	37	-1.0	-54.51	327.34	1.98	-52.53
O=C([O-])CN1C=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=N1	REAL300007899041	0	39	-1.0	-53.34	350.41	2.54	-50.80
O=C([O-])CN1C=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=N1	REAL300007899041	1	38	-2.0	-99.19	344.37	2.30	-96.89
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)S1	REAL300007899042	0	36	-1.0	-50.13	330.31	3.53	-46.60
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)S1	REAL300007899042	1	35	-2.0	-97.04	331.07	3.66	-93.38
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899043	0	35	-2.0	-121.62	315.91	1.15	-120.47
O=C([O-])C1=CNN=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899043	1	36	-1.0	-52.30	322.32	1.48	-50.82
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899044	0	39	-1.0	-54.39	333.27	6.14	-48.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)O1	REAL300007899045	0	35	-2.0	-100.69	324.56	2.54	-98.15
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)O1	REAL300007899045	1	36	-1.0	-51.48	323.87	2.89	-48.59
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)O1	REAL300007899046	0	38	-2.0	-101.45	342.80	3.02	-98.43
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)O1	REAL300007899046	1	39	-1.0	-51.55	349.20	3.30	-48.25
O=C([O-])CCCS(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899047	0	37	-2.0	-100.32	328.51	3.13	-97.19
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C1	REAL300007899048	0	41	-2.0	-97.20	366.26	5.24	-91.96
O=C([O-])C1=CC=CC(CS(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899049	0	41	-2.0	-105.26	370.52	4.77	-100.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)O1	REAL300007899050	0	35	-2.0	-100.69	324.56	2.54	-98.15
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)O1	REAL300007899050	1	36	-1.0	-51.48	323.87	2.89	-48.59
O=C([O-])COC1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C1	REAL300007899051	0	43	-1.0	-50.72	369.69	4.64	-46.08
O=C([O-])CCCS(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899052	0	37	-2.0	-100.32	328.51	3.13	-97.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899053	0	35	-2.0	-102.21	331.99	3.57	-98.64
O=C([O-])C1=CSC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1	REAL300007899053	1	36	-1.0	-50.61	338.85	3.45	-47.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1C	REAL300007899054	0	45	-1.0	-61.22	374.29	5.73	-55.49
CC1=CC=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1C(=O)[O-]	REAL300007899055	0	42	-1.0	-51.57	358.55	5.57	-46.00
O=C([O-])C1=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=CS1	REAL300007899056	0	36	-1.0	-54.86	330.15	3.43	-51.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899057	0	42	-1.0	-50.01	351.25	4.92	-45.09
O=C([O-])CC1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C1	REAL300007899058	0	42	-1.0	-51.02	360.78	5.13	-45.89
O=C([O-])C1=COC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899059	0	35	-2.0	-101.33	323.82	2.65	-98.68
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1	REAL300007899060	0	42	-1.0	-54.20	360.79	5.13	-49.07
CC1=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007899061	0	39	-1.0	-52.15	337.30	4.21	-47.94
CC1=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007899061	1	38	-2.0	-102.35	341.81	3.67	-98.68
O=C([O-])C1=CN=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1	REAL300007899062	0	38	-1.0	-50.75	334.08	2.46	-48.29
O=C([O-])C1=CN=CC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899062	1	37	-2.0	-98.32	333.98	2.73	-95.59
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899063	0	34	-2.0	-120.51	315.48	2.64	-117.87
O=C([O-])C1=NSC=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899063	1	35	-1.0	-49.27	319.77	2.55	-46.72
O=C([O-])C1=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)SC=N1	REAL300007899064	0	34	-2.0	-125.49	320.28	1.84	-123.65
O=C([O-])C1=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)SC=N1	REAL300007899064	1	35	-1.0	-64.86	311.39	2.38	-62.48
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899065	0	38	-1.0	-57.24	326.92	3.30	-53.94
O=C([O-])CCCCCS(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899066	0	43	-2.0	-95.85	371.50	4.69	-91.16
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=N1	REAL300007899067	0	38	-1.0	-53.86	340.92	2.60	-51.26
COC1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C1C(=O)[O-]	REAL300007899068	0	43	-1.0	-59.32	365.91	4.42	-54.90
CC1=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007899069	0	42	-1.0	-51.22	354.62	4.91	-46.31
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899070	0	39	-1.0	-52.37	339.18	4.99	-47.38
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C1	REAL300007899071	0	41	-2.0	-97.20	366.26	5.24	-91.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899072	0	43	-1.0	-58.56	372.53	4.27	-54.29
CC1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C1C(=O)[O-]	REAL300007899073	0	42	-1.0	-57.57	358.70	5.01	-52.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899074	0	42	-1.0	-60.08	356.57	5.05	-55.03
O=C([O-])CC1(CS(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)CC1	REAL300007899075	0	41	-2.0	-105.83	352.76	4.41	-101.42
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1	REAL300007899076	0	42	-1.0	-54.20	360.79	5.13	-49.07
CCC1=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007899077	0	42	-1.0	-54.22	366.86	4.38	-49.84
CCC1=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007899077	1	41	-2.0	-102.21	360.93	4.62	-97.59
CC1=NC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C1C(=O)[O-]	REAL300007899078	0	41	-1.0	-48.15	350.05	3.06	-45.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899079	0	43	-1.0	-51.00	372.57	4.28	-46.72
COC1=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007899080	0	43	-1.0	-57.28	365.86	4.44	-52.84
O=C([O-])CC1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C=C1F	REAL300007899081	0	42	-1.0	-52.79	366.17	5.16	-47.63
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C1F	REAL300007899081	1	41	-2.0	-96.43	367.43	5.00	-91.43
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899082	0	39	-1.0	-53.98	335.24	2.65	-51.33
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899083	0	38	-2.0	-104.70	341.53	3.49	-101.21
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1	REAL300007899083	1	39	-1.0	-54.64	348.93	3.42	-51.22
O=C([O-])C1=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)OC=C1	REAL300007899084	0	35	-2.0	-123.70	316.02	3.39	-120.31
O=C([O-])C1=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)OC=C1	REAL300007899084	1	36	-1.0	-53.48	323.42	3.32	-50.16
O=C([O-])C1(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)CCC1	REAL300007899085	0	38	-2.0	-111.55	322.73	4.40	-107.15
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=C1	REAL300007899086	0	43	-1.0	-46.86	360.06	4.44	-42.42
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899087	0	35	-2.0	-121.62	315.91	1.15	-120.47
O=C([O-])C1=CNN=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899087	1	36	-1.0	-52.30	322.32	1.48	-50.82
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899088	0	39	-1.0	-53.98	335.24	2.65	-51.33
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899089	0	35	-2.0	-95.12	339.47	2.82	-92.30
COC1=CC=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)C(C(=O)[O-])=C1	REAL300007899090	0	43	-1.0	-48.80	359.91	4.45	-44.35
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=NN1	REAL300007899091	0	35	-2.0	-96.24	323.29	0.44	-95.80
O=C([O-])C1=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=NN1	REAL300007899091	1	36	-1.0	-45.92	329.69	0.70	-45.22
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899092	0	39	-1.0	-57.02	340.19	2.00	-55.02
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C1	REAL300007899093	0	38	-2.0	-103.36	337.35	3.18	-100.18
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C1	REAL300007899094	0	41	-2.0	-102.58	349.27	4.20	-98.38
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)S1	REAL300007899095	0	39	-1.0	-53.04	348.18	4.10	-48.94
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)S1	REAL300007899095	1	38	-2.0	-104.07	348.88	4.22	-99.85
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899096	0	42	-1.0	-56.80	354.50	5.47	-51.33
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899097	0	38	-2.0	-101.06	343.81	3.38	-97.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=NN1	REAL300007899098	0	35	-2.0	-96.24	323.29	0.44	-95.80
O=C([O-])C1=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=NN1	REAL300007899098	1	36	-1.0	-45.92	329.69	0.70	-45.22
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899099	0	38	-2.0	-122.95	324.52	4.37	-118.58
CC1=CC(S(=O)(=O)NC(CC2CCCO2)C(F)(F)F)=CN=C1C(=O)[O-]	REAL300007899100	0	41	-1.0	-54.57	350.99	3.11	-51.46
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899101	0	42	-1.0	-56.80	354.50	5.47	-51.33
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC(CC1CCCO1)C(F)(F)F	REAL300007899102	0	38	-1.0	-48.36	325.91	3.41	-44.95
O=C([O-])C1=CC=NC=C1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899102	1	37	-2.0	-118.92	325.77	3.28	-115.64
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1CCCCO1	REAL300007899103	0	42	-1.0	-47.99	341.97	4.82	-43.17
CCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899104	0	42	-1.0	-53.68	342.50	4.86	-48.82
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C1CCCCO1	REAL300007899105	0	45	-1.0	-58.44	352.92	5.44	-53.00
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C1CCCCO1	REAL300007899106	0	46	-1.0	-53.75	361.41	4.75	-49.00
CCC(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1CCCCO1	REAL300007899107	0	45	-1.0	-52.99	361.48	5.33	-47.66
CCC(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1CCCCO1	REAL300007899108	0	39	-1.0	-49.28	321.19	4.43	-44.85
CCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899109	0	42	-1.0	-53.68	342.50	4.86	-48.82
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1CCCCO1	REAL300007899110	0	42	-1.0	-47.99	341.97	4.82	-43.17
CCC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1CCCCO1	REAL300007899111	0	42	-1.0	-48.05	325.57	5.59	-42.46
CCC(NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899112	0	40	-1.0	-51.08	330.81	2.54	-48.54
CCC(NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1CCCCO1	REAL300007899113	0	42	-1.0	-50.16	346.85	2.89	-47.27
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1CCCCO1	REAL300007899114	0	39	-1.0	-46.47	334.46	3.97	-42.50
CCC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1CCCCO1	REAL300007899115	0	39	-1.0	-56.44	313.43	2.19	-54.25
CCC(NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1CCCCO1	REAL300007899116	0	47	-1.0	-50.67	344.91	3.63	-47.04
CCC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CCCCO1	REAL300007899117	0	47	-1.0	-50.93	360.50	3.83	-47.10
CCC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1CCCCO1	REAL300007899118	0	42	-1.0	-48.05	325.57	5.59	-42.46
CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1CCCCO1	REAL300007899119	0	42	-1.0	-42.16	342.43	6.18	-35.98
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1CCCCO1	REAL300007899120	0	39	-1.0	-47.39	328.83	3.28	-44.11
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1)C1CCCCO1	REAL300007899121	0	42	-1.0	-49.69	347.89	3.65	-46.04
CCC(NS(=O)(=O)N1CCCC1C(=O)[O-])C1CCCCO1	REAL300007899122	0	44	-1.0	-56.40	337.96	3.82	-52.58
CCC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1CCCCO1	REAL300007899123	0	45	-1.0	-56.80	367.12	5.45	-51.35
CCC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CCCCO1	REAL300007899124	0	47	-1.0	-50.93	360.50	3.83	-47.10
CCC(NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899125	0	45	-1.0	-57.60	363.04	5.47	-52.13
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1CCCCO1	REAL300007899126	0	39	-1.0	-47.39	328.83	3.28	-44.11
CCC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1CCCCO1	REAL300007899127	0	46	-1.0	-48.36	373.42	5.03	-43.33
CCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC)C1CCCCO1	REAL300007899128	0	46	-1.0	-48.43	374.58	5.99	-42.44
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1CCCCO1	REAL300007899129	0	39	-1.0	-49.30	335.73	3.82	-45.48
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C1CCCCO1	REAL300007899130	0	48	-1.0	-59.80	370.72	5.96	-53.84
CCC(NS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-])C1CCCCO1	REAL300007899131	0	45	-1.0	-50.90	353.82	5.70	-45.20
CCC(NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899132	0	49	-1.0	-56.46	398.91	4.43	-52.03
CCC(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899133	0	39	-1.0	-50.60	334.20	3.73	-46.87
CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-])C1CCCCO1	REAL300007899134	0	45	-1.0	-40.54	365.40	6.39	-34.15
CCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C1CCCCO1	REAL300007899135	0	45	-1.0	-48.93	347.67	5.31	-43.62
CCC(NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21)C1CCCCO1	REAL300007899136	0	45	-1.0	-48.37	362.31	6.91	-41.46
CCC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1CCCCO1	REAL300007899137	0	45	-1.0	-48.19	364.15	5.59	-42.60
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1)C1CCCCO1	REAL300007899138	0	47	-1.0	-44.43	381.72	5.74	-38.69
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1CCCCO1	REAL300007899139	0	39	-1.0	-49.17	328.99	2.97	-46.20
CCC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1CCCCO1	REAL300007899140	0	45	-1.0	-52.09	364.69	5.65	-46.44
CCC(NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899141	0	42	-1.0	-51.52	334.82	3.90	-47.62
CCC(NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899142	0	41	-1.0	-49.85	337.54	2.94	-46.91
CCC(NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1CCCCO1	REAL300007899143	0	38	-1.0	-49.10	315.95	2.71	-46.39
CCC(NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1CCCCO1	REAL300007899144	0	38	-1.0	-53.24	326.34	2.46	-50.78
CCC(NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1CCCCO1	REAL300007899145	0	41	-1.0	-55.45	322.75	3.51	-51.94
CCC(NS(=O)(=O)CCCCCC(=O)[O-])C1CCCCO1	REAL300007899146	0	47	-1.0	-52.48	367.87	4.99	-47.49
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1CCCCO1	REAL300007899147	0	41	-1.0	-49.50	337.90	2.97	-46.53
CCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899148	0	42	-1.0	-49.86	360.57	5.23	-44.63
CCC(NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C1CCCCO1	REAL300007899149	0	46	-1.0	-57.56	369.62	4.82	-52.74
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C1CCCCO1	REAL300007899150	0	45	-1.0	-48.75	358.69	5.33	-43.42
CCC(NS(=O)(=O)N(C)CCC(=O)[O-])C1CCCCO1	REAL300007899151	0	43	-1.0	-48.52	328.67	2.72	-45.80
CCC(NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12)C1CCCCO1	REAL300007899152	0	47	-1.0	-52.48	371.38	5.03	-47.45
CCC(NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899153	0	49	-1.0	-56.46	398.91	4.43	-52.03
CCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899154	0	42	-1.0	-49.86	360.57	5.23	-44.63
CCC(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1C)C1CCCCO1	REAL300007899155	0	42	-1.0	-49.81	338.88	5.29	-44.52
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C1CCCCO1	REAL300007899156	0	45	-1.0	-52.73	367.01	5.84	-46.89
CCC(NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1)C1CCCCO1	REAL300007899157	0	48	-1.0	-50.19	388.89	6.16	-44.03
CCC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1CCCCO1	REAL300007899158	0	45	-1.0	-56.80	367.12	5.45	-51.35
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C1CCCCO1	REAL300007899159	0	46	-1.0	-53.75	361.41	4.75	-49.00
CCC(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1CCCCO1	REAL300007899160	0	45	-1.0	-52.99	361.48	5.33	-47.66
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C1CCCCO1	REAL300007899161	0	45	-1.0	-58.44	352.92	5.44	-53.00
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC)C1CCCCO1	REAL300007899162	0	46	-1.0	-45.77	369.12	5.22	-40.55
CCC(NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1CCCCO1	REAL300007899163	0	45	-1.0	-48.90	349.19	4.73	-44.17
CCC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1CCCCO1	REAL300007899164	0	45	-1.0	-52.09	364.69	5.65	-46.44
CCC(NS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1)C1CCCCO1	REAL300007899165	0	43	-1.0	-48.23	348.60	2.91	-45.32
CCC(NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1)C1CCCCO1	REAL300007899166	0	47	-1.0	-49.78	380.22	5.46	-44.32
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C1CCCCO1	REAL300007899167	0	45	-1.0	-48.93	372.45	5.55	-43.38
CCC(NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1)C1CCCCO1	REAL300007899168	0	49	-1.0	-53.00	388.70	6.73	-46.27
CCC1=C(S(=O)(=O)NC(CC)C2CCCCO2)C=C(C(=O)[O-])O1	REAL300007899169	0	45	-1.0	-54.83	363.09	4.67	-50.16
CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C1CCCCO1	REAL300007899170	0	44	-1.0	-42.40	353.84	6.25	-36.15
CCC(NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1)C1CCCCO1	REAL300007899171	0	45	-1.0	-49.67	379.78	6.31	-43.36
CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C1CCCCO1	REAL300007899172	0	44	-1.0	-37.66	353.83	6.24	-31.42
CCC(NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1)C1CCCCO1	REAL300007899173	0	44	-1.0	-44.36	352.30	3.53	-40.83
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C1CCCCO1	REAL300007899174	0	46	-1.0	-49.61	367.48	4.79	-44.82
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1)C1CCCCO1	REAL300007899175	0	46	-1.0	-54.88	370.49	4.86	-50.02
CCC(NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-])C1CCCCO1	REAL300007899176	0	49	-1.0	-56.61	377.47	5.21	-51.40
CCC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1CCCCO1	REAL300007899177	0	45	-1.0	-51.53	370.88	5.62	-45.91
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)C1CCCCO1	REAL300007899178	0	45	-1.0	-48.48	382.55	5.72	-42.76
CCC(NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1CCCCO1	REAL300007899179	0	51	-1.0	-49.03	395.61	6.40	-42.63
CCC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1CCCCO1	REAL300007899180	0	42	-1.0	-52.07	330.55	2.86	-49.21
CCC(NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1CCCCO1	REAL300007899181	0	48	-1.0	-51.39	375.26	6.77	-44.62
CCC(NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1)C1CCCCO1	REAL300007899182	0	42	-1.0	-52.75	347.68	3.78	-48.97
CCC(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C1CCCCO1	REAL300007899183	0	42	-1.0	-49.94	354.86	5.15	-44.79
CCC(NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1CCCCO1	REAL300007899184	0	39	-1.0	-57.84	314.77	3.69	-54.15
CCC(NS(=O)(=O)C1(C(=O)[O-])CCC1)C1CCCCO1	REAL300007899185	0	42	-1.0	-43.47	318.75	3.63	-39.84
CCC(NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-])C1CCCCO1	REAL300007899186	0	46	-1.0	-46.86	355.09	4.97	-41.89
CCC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1CCCCO1	REAL300007899187	0	39	-1.0	-56.44	313.43	2.19	-54.25
CCC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1CCCCO1	REAL300007899188	0	42	-1.0	-52.07	330.55	2.86	-49.21
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCO1	REAL300007899189	0	44	-2.0	-137.67	369.28	5.70	-131.97
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC)C1CCCCO1	REAL300007899190	0	49	-1.0	-55.88	384.95	4.63	-51.25
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1CCCCO1	REAL300007899191	0	41	-1.0	-47.77	340.80	2.89	-44.88
CCC(NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1CCCCO1	REAL300007899192	0	45	-1.0	-53.02	349.67	5.82	-47.20
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCO1	REAL300007899193	0	39	-1.0	-45.34	342.07	3.51	-41.83
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCO1	REAL300007899193	1	38	-2.0	-96.65	343.35	3.30	-93.35
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21)C1CCCCO1	REAL300007899194	0	48	-1.0	-52.42	374.62	6.80	-45.62
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC)C1CCCCO1	REAL300007899195	0	49	-1.0	-53.38	382.96	5.65	-47.73
CCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-])C1CCCCO1	REAL300007899196	0	46	-1.0	-49.10	355.08	4.89	-44.21
CCC(NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899197	0	41	-1.0	-54.28	339.48	3.00	-51.28
CCC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899198	0	39	-1.0	-45.55	326.50	1.00	-44.55
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1CCCCO1	REAL300007899199	0	42	-1.0	-53.05	345.35	2.59	-50.46
CCC(NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1)C1CCCCO1	REAL300007899200	0	48	-1.0	-52.25	389.68	6.97	-45.28
CCC(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCO1	REAL300007899201	0	42	-1.0	-51.85	333.25	3.87	-47.98
CCC(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCO1	REAL300007899202	0	45	-1.0	-54.02	338.81	4.52	-49.50
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)C1CCCCO1	REAL300007899203	0	42	-1.0	-49.32	355.79	4.49	-44.83
CCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-])C1CCCCO1	REAL300007899204	0	48	-1.0	-54.22	369.84	7.95	-46.27
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F)C1CCCCO1	REAL300007899205	0	45	-1.0	-47.58	362.40	6.07	-41.51
CCC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1CCCCO1	REAL300007899206	0	45	-1.0	-56.00	347.93	5.95	-50.05
CCC(NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1CCCCO1	REAL300007899207	0	42	-1.0	-47.83	371.96	5.42	-42.41
CCC(NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1CCCCO1	REAL300007899208	0	45	-1.0	-66.90	368.14	3.34	-63.56
CCC(NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1CCCCO1	REAL300007899209	0	45	-1.0	-44.52	369.30	5.97	-38.55
CCC(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1CCCCO1	REAL300007899210	0	42	-1.0	-54.02	336.52	4.01	-50.01
CCC(NS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCCO1	REAL300007899211	0	47	-1.0	-52.74	333.72	4.68	-48.06
CCC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1CCCCO1	REAL300007899212	0	39	-1.0	-45.55	326.50	1.00	-44.55
CCC(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CCCCO1	REAL300007899213	0	44	-1.0	-45.68	331.72	3.24	-42.44
CCC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1CCCCO1	REAL300007899214	0	39	-1.0	-56.44	313.43	2.19	-54.25
CCC(NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1CCCCO1	REAL300007899215	0	39	-1.0	-40.49	338.41	4.98	-35.51
CCC(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCCCO1	REAL300007899216	0	42	-1.0	-58.70	324.04	4.43	-54.27
CCC(NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C1CCCCO1	REAL300007899217	0	44	-1.0	-50.79	355.66	3.63	-47.16
CCC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1CCCCO1	REAL300007899218	0	45	-1.0	-56.00	347.93	5.95	-50.05
CCOC1=CC=C(S(=O)(=O)NC(CC)C2CCCCO2)C=C1C(=O)[O-]	REAL300007899219	0	49	-1.0	-62.30	391.47	5.74	-56.56
CCC(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1CCCCO1	REAL300007899220	0	49	-1.0	-48.83	386.59	6.70	-42.13
CCC(NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1CCCCO1	REAL300007899221	0	41	-1.0	-45.89	320.29	3.87	-42.02
CCC(NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1)C1CCCCO1	REAL300007899222	0	47	-1.0	-55.78	385.55	5.10	-50.68
CC(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899223	0	39	-1.0	-63.16	330.60	5.74	-57.42
CCC(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899224	0	46	-1.0	-48.88	363.47	7.74	-41.14
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300007899225	0	31	-1.0	-46.52	296.84	4.85	-41.67
COC1=CC=C(C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899226	0	41	-1.0	-52.14	331.17	5.77	-46.37
CC1=CC=C(Br)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899227	0	37	-1.0	-50.25	323.11	6.69	-43.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007899228	0	38	-1.0	-54.09	326.85	5.61	-48.48
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007899229	0	40	-1.0	-56.88	345.48	2.68	-54.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007899230	0	38	-1.0	-50.03	330.78	4.96	-45.07
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1OC	REAL300007899231	0	45	-1.0	-48.05	351.96	4.97	-43.08
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899232	0	37	-1.0	-47.30	312.03	6.19	-41.11
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	REAL300007899233	0	45	-1.0	-50.88	345.43	5.72	-45.16
CC1=NN(C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899234	0	40	-1.0	-53.71	321.61	4.17	-49.54
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O=C([O-])CN(C1CCCCC1)S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007907178	0	40	-1.0	-59.91	335.05	5.50	-54.41
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)=C1	REAL300007907179	0	51	-1.0	-62.14	389.28	8.53	-53.61
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907180	0	35	-1.0	-62.24	309.27	3.11	-59.13
CCC(C)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907181	0	42	-1.0	-48.76	348.09	5.04	-43.72
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007907182	0	27	-1.0	-43.34	279.29	2.09	-41.25
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907183	0	37	-1.0	-60.64	318.75	3.01	-57.63
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907184	0	33	-1.0	-41.75	299.78	3.89	-37.86
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007907185	0	34	-1.0	-58.45	313.82	2.85	-55.60
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907186	0	36	-1.0	-57.56	329.12	0.02	-57.54
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007907187	0	34	-1.0	-44.32	314.41	2.29	-42.03
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1OC	REAL300007907188	0	41	-1.0	-45.71	337.10	2.46	-43.25
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907189	0	33	-1.0	-43.17	296.01	3.81	-39.36
CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907190	0	41	-1.0	-46.69	319.14	2.74	-43.95
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907191	0	36	-1.0	-48.95	302.87	1.46	-47.49
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007907192	0	46	-1.0	-48.91	370.07	6.30	-42.61
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007907193	0	36	-1.0	-49.75	312.90	1.65	-48.10
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1Br	REAL300007907194	0	30	-1.0	-47.64	285.57	3.19	-44.45
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007907195	0	30	-1.0	-48.97	289.70	3.12	-45.85
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907196	0	35	-1.0	-60.12	303.67	4.82	-55.30
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007907197	0	36	-1.0	-47.97	331.28	4.45	-43.52
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907198	0	40	-1.0	-52.10	352.43	-1.02	-53.12
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907199	0	41	-1.0	-52.54	352.02	4.28	-48.26
CC1=CC(F)=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907200	0	33	-1.0	-49.84	297.24	3.18	-46.66
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007907201	0	36	-1.0	-51.35	314.10	2.94	-48.41
COCC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907202	0	37	-1.0	-49.19	324.49	2.18	-47.01
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300007907203	0	36	-1.0	-46.96	317.31	0.10	-46.86
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907204	0	39	-1.0	-60.03	354.45	0.64	-59.39
CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907205	0	35	-1.0	-56.76	317.00	-1.48	-58.24
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1C	REAL300007907206	0	40	-1.0	-47.96	319.78	2.61	-45.35
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007907207	0	35	-1.0	-48.46	323.58	3.48	-44.98
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007907208	0	33	-1.0	-48.30	311.33	3.98	-44.32
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007907209	0	35	-1.0	-50.86	310.37	2.84	-48.02
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300007907210	0	40	-1.0	-63.36	341.26	-1.81	-65.17
CN(C1CCOCC1)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907211	0	39	-1.0	-44.58	309.65	0.28	-44.30
CC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007907212	0	39	-1.0	-52.11	339.94	3.65	-48.46
CCN1N=C(C)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1C	REAL300007907213	0	39	-1.0	-48.69	324.62	2.32	-46.37
CC(C)N1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300007907214	0	36	-1.0	-52.84	313.77	1.60	-51.24
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907215	0	39	-1.0	-57.58	333.71	3.76	-53.82
CC(C)N1C=NC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907216	0	36	-1.0	-58.20	314.63	2.89	-55.31
CC(C)C1=NC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CN1	REAL300007907217	0	36	-1.0	-50.14	314.32	0.93	-49.21
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907218	0	42	-1.0	-47.83	315.59	4.63	-43.20
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907219	0	38	-1.0	-50.28	336.03	1.85	-48.43
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1OC	REAL300007907220	0	38	-1.0	-47.16	340.96	2.23	-44.93
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1Br	REAL300007907221	0	33	-1.0	-45.93	308.06	3.68	-42.25
CC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907222	0	33	-1.0	-48.46	281.11	3.38	-45.08
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007907223	0	36	-1.0	-46.30	319.76	5.11	-41.19
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007907224	0	35	-1.0	-40.69	315.84	3.93	-36.76
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007907225	0	34	-1.0	-50.53	314.02	2.14	-48.39
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007907226	0	37	-1.0	-48.96	330.62	3.89	-45.07
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907227	0	45	-1.0	-48.20	364.46	3.87	-44.33
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007907228	0	33	-1.0	-47.34	302.55	3.42	-43.92
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907229	0	41	-1.0	-49.26	348.75	2.50	-46.76
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C2=C1	REAL300007931001	0	47	-1.0	-64.12	370.32	6.81	-57.31
COC1=CC(OC)=C2CCCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2=C1	REAL300007931002	0	47	-1.0	-52.11	372.59	6.15	-45.96
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)C2=C1	REAL300007931003	0	47	-1.0	-54.49	381.60	6.89	-47.60
CCC1=C(S(=O)(=O)N2CCCC3=C(OC)C=C(OC)C=C32)C=C(C(=O)[O-])O1	REAL300007931004	0	47	-1.0	-60.49	381.24	5.85	-54.64
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CN=C(C)C(C(=O)[O-])=C3)C2=C1	REAL300007931005	0	46	-1.0	-54.58	370.85	4.84	-49.74
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)C2=C1	REAL300007931006	0	44	-1.0	-53.88	355.04	4.44	-49.44
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CC(C)=C(C(=O)[O-])O3)C2=C1	REAL300007931007	0	44	-1.0	-59.61	365.11	5.28	-54.33
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)C2=C1	REAL300007931008	0	41	-1.0	-56.21	337.26	4.93	-51.28
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3(C(=O)[O-])CCC3)C2=C1	REAL300007931009	0	44	-1.0	-48.36	336.99	4.95	-43.41
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2=C1	REAL300007931010	0	41	-1.0	-55.73	336.15	3.17	-52.56
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)C2=C1	REAL300007931011	0	44	-1.0	-53.88	355.04	4.44	-49.44
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2=C1	REAL300007931012	0	41	-1.0	-48.63	345.81	2.66	-45.97
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=NN3C)C2=C1	REAL300007931013	0	44	-1.0	-61.73	361.69	3.92	-57.81
COC1=CC(OC)=C2CCCN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2=C1	REAL300007931014	0	44	-1.0	-55.10	353.19	5.42	-49.68
COC1=CC(OC)=C2CCCN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2=C1	REAL300007931015	0	47	-1.0	-56.84	369.76	5.99	-50.85
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)S3)C2=C1	REAL300007931016	0	44	-1.0	-52.82	371.72	5.91	-46.91
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])C2=C1	REAL300007931017	0	47	-1.0	-61.69	368.30	7.07	-54.62
COC1=CC(OC)=C2CCCN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])C2=C1	REAL300007931018	0	44	-1.0	-59.02	359.30	5.59	-53.43
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2=C1	REAL300007931019	0	41	-1.0	-48.63	345.81	2.66	-45.97
COC1=CC(OC)=C2CCCN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])C2=C1	REAL300007931020	0	44	-1.0	-61.97	343.27	6.00	-55.97
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CN=C(C(=O)[O-])C(C)=C3)C2=C1	REAL300007931021	0	46	-1.0	-53.40	372.00	4.87	-48.53
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])C2=C1	REAL300007931022	0	47	-1.0	-61.69	368.30	7.07	-54.62
COC1=CC(OC)=C2CCCN(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])C2=C1	REAL300007931023	0	43	-1.0	-64.10	352.16	5.51	-58.59
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931024	0	31	-1.0	-40.01	275.70	4.87	-35.14
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007931025	0	32	-1.0	-51.85	287.32	4.23	-47.62
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007931026	0	34	-1.0	-52.91	310.14	1.39	-51.52
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007931027	0	32	-1.0	-40.69	294.92	3.59	-37.10
COC1=CC(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1OC	REAL300007931028	0	39	-1.0	-43.68	311.17	3.38	-40.30
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007931029	0	44	-1.0	-50.18	350.35	7.66	-42.52
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007931030	0	34	-1.0	-45.92	293.92	3.02	-42.90
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1Br	REAL300007931031	0	28	-1.0	-54.08	254.71	4.12	-49.96
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007931032	0	28	-1.0	-41.59	270.73	4.49	-37.10
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931033	0	33	-1.0	-60.50	275.38	5.64	-54.86
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007931034	0	34	-1.0	-54.36	310.40	5.84	-48.52
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007931035	0	38	-1.0	-46.91	330.06	0.49	-46.42
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931036	0	39	-1.0	-43.59	331.88	5.70	-37.89
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007931037	0	37	-1.0	-55.66	333.96	2.00	-53.66
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C)=C1C	REAL300007931038	0	38	-1.0	-43.93	298.76	4.07	-39.86
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007931039	0	33	-1.0	-45.82	302.18	4.39	-41.43
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007931040	0	31	-1.0	-40.85	294.84	5.27	-35.58
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931041	0	45	-1.0	-50.27	386.95	2.98	-47.29
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007931042	0	38	-1.0	-52.80	319.94	-0.47	-53.27
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007931043	0	37	-1.0	-53.94	314.82	4.93	-49.01
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007931044	0	41	-1.0	-59.92	351.71	6.84	-53.08
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007931045	0	36	-1.0	-56.33	314.16	3.30	-53.03
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007931046	0	34	-1.0	-49.44	314.41	4.96	-44.48
COC1=CC(Cl)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1OC	REAL300007931047	0	36	-1.0	-44.68	309.05	3.17	-41.51
COC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C(OC)C=C1Br	REAL300007931048	0	36	-1.0	-41.97	321.06	3.62	-38.35
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Br	REAL300007931049	0	31	-1.0	-42.23	288.93	5.06	-37.17
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007931050	0	34	-1.0	-52.94	302.91	6.67	-46.27
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007931051	0	38	-1.0	-44.08	344.90	7.91	-36.17
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007931052	0	33	-1.0	-49.74	301.25	5.90	-43.84
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Cl	REAL300007931053	0	39	-1.0	-43.00	370.40	4.60	-38.40
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007931054	0	32	-1.0	-45.30	294.91	3.51	-41.79
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007931055	0	35	-1.0	-45.54	308.95	5.48	-40.06
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931056	0	43	-1.0	-47.78	337.85	4.70	-43.08
COCC1=CC=C(OC)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931057	0	39	-1.0	-46.49	326.10	3.37	-43.12
CC1=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300007939001	0	40	-1.0	-67.44	331.99	5.09	-62.35
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007939002	0	42	-1.0	-58.35	357.39	8.06	-50.29
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007939003	0	35	-1.0	-59.67	323.27	3.30	-56.37
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300007939004	0	49	-1.0	-55.29	382.16	6.72	-48.57
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=C(Cl)OC=C1	REAL300007939005	0	33	-1.0	-57.47	295.15	3.88	-53.59
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007939006	0	33	-1.0	-56.10	303.32	4.93	-51.17
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300007939007	0	50	-1.0	-66.18	401.42	5.60	-60.58
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007939008	0	42	-1.0	-49.18	348.33	8.02	-41.16
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939009	0	44	-1.0	-54.42	341.88	3.16	-51.26
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007939010	0	43	-1.0	-62.63	340.13	7.53	-55.10
CC1(C)CCN(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300007939011	0	47	-1.0	-58.80	345.84	5.27	-53.53
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007939012	0	51	-1.0	-59.15	396.19	5.88	-53.27
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939013	0	39	-1.0	-57.75	332.42	3.25	-54.50
COC1=NC=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1C	REAL300007939014	0	42	-1.0	-56.00	342.19	2.70	-53.30
CC(C)CN1C=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=N1	REAL300007939015	0	45	-1.0	-58.65	356.93	5.69	-52.96
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939016	0	45	-1.0	-58.37	360.50	5.34	-53.03
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007939017	0	46	-1.0	-61.72	354.86	3.53	-58.19
COCC1=CC(CS(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=NO1	REAL300007939018	0	42	-1.0	-65.69	346.46	3.53	-62.16
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])N=C1	REAL300007939019	0	47	-1.0	-62.25	368.34	5.72	-56.53
CC(C)N1N=CC=C1S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939020	0	42	-1.0	-54.07	329.91	4.31	-49.76
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007939021	0	43	-1.0	-54.42	342.57	5.46	-48.96
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007939022	0	43	-1.0	-55.72	348.78	6.92	-48.80
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007939023	0	38	-1.0	-61.40	322.97	4.21	-57.19
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007939024	0	41	-1.0	-66.76	327.82	5.84	-60.92
CC1=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=NN1C(C)C	REAL300007939025	0	45	-1.0	-62.42	357.22	5.41	-57.01
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007939026	0	41	-1.0	-67.10	330.60	6.23	-60.87
CC1=CN=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(C)=C1	REAL300007939027	0	41	-1.0	-60.90	320.29	5.17	-55.73
CC1=CN=CC=C1S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939028	0	38	-1.0	-56.48	307.68	4.36	-52.12
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)N1CC=C(Br)CC1	REAL300007939029	0	39	-1.0	-56.08	323.62	4.86	-51.22
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939030	0	44	-1.0	-66.05	349.19	1.31	-64.74
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)N1CC2CCC(C1)O2	REAL300007939031	0	43	-1.0	-58.49	324.05	3.75	-54.74
N#CC1CCN(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300007939032	0	42	-1.0	-60.92	331.23	4.88	-56.04
COC1=CC=NC(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300007939033	0	39	-1.0	-62.85	320.34	2.70	-60.15
C=CCN(CC=C)S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939034	0	42	-1.0	-60.02	335.83	5.24	-54.78
COC1=CC=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(C(F)F)=C1	REAL300007939035	0	43	-1.0	-65.51	343.33	6.41	-59.10
COC1=CC=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])N=C1	REAL300007939036	0	39	-1.0	-61.90	321.37	2.70	-59.20
CC1=CC=CN=C1S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939037	0	38	-1.0	-64.49	306.51	4.49	-60.00
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939038	0	42	-1.0	-57.24	354.74	3.74	-53.50
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007939039	0	41	-1.0	-59.11	330.80	6.12	-52.99
CCOC1=CC=CN=C1S(=O)(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300007939040	0	42	-1.0	-70.51	339.29	4.87	-65.64
CC1=CC=C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007939041	0	44	-1.0	-72.00	343.57	7.35	-64.65
CC1=CC(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=CC=N1	REAL300007939042	0	38	-1.0	-56.85	309.97	4.35	-52.50
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007939043	0	40	-1.0	-63.35	328.06	5.54	-57.81
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)N1CCC(F)(F)C1	REAL300007939044	0	38	-1.0	-56.28	309.86	3.93	-52.35
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CN=CS1	REAL300007939045	0	32	-1.0	-57.72	280.63	2.71	-55.01
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007939046	0	38	-1.0	-68.64	322.47	4.71	-63.93
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300007939047	0	49	-1.0	-65.07	385.66	7.52	-57.55
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939048	0	37	-1.0	-58.63	316.65	4.81	-53.82
CCC(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939049	0	44	-1.0	-47.11	354.11	6.98	-40.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007939050	0	29	-1.0	-42.17	282.73	3.96	-38.21
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939051	0	39	-1.0	-46.82	323.05	5.20	-41.62
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939052	0	35	-1.0	-39.50	303.27	5.70	-33.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007939053	0	36	-1.0	-46.76	316.99	4.97	-41.79
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939054	0	38	-1.0	-50.03	336.11	1.91	-48.12
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007939055	0	36	-1.0	-46.58	321.38	4.20	-42.38
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300007939056	0	43	-1.0	-43.86	341.58	4.24	-39.62
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939057	0	35	-1.0	-40.65	300.20	5.52	-35.13
CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939058	0	43	-1.0	-44.97	324.35	4.58	-40.39
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939059	0	38	-1.0	-51.26	308.11	3.31	-47.95
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007939060	0	48	-1.0	-46.98	377.27	8.19	-38.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007939061	0	38	-1.0	-47.90	319.87	3.58	-44.32
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1Br	REAL300007939062	0	32	-1.0	-45.05	288.00	4.86	-40.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007939063	0	32	-1.0	-46.51	296.68	5.03	-41.48
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939064	0	37	-1.0	-58.57	301.23	6.61	-51.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007939065	0	38	-1.0	-43.91	337.71	6.26	-37.65
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939066	0	42	-1.0	-49.74	359.20	0.78	-48.96
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939067	0	43	-1.0	-51.03	357.82	6.21	-44.82
CC1=CC(F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939068	0	35	-1.0	-44.23	300.80	5.04	-39.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007939069	0	38	-1.0	-49.56	316.74	4.79	-44.77
COCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939070	0	39	-1.0	-47.46	330.47	4.11	-43.35
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007939071	0	38	-1.0	-44.23	324.86	1.85	-42.38
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939072	0	41	-1.0	-58.53	360.43	2.60	-55.93
CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939073	0	37	-1.0	-53.20	324.91	0.25	-52.95
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300007939074	0	42	-1.0	-44.54	328.82	4.86	-39.68
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007939075	0	37	-1.0	-55.06	331.38	4.85	-50.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007939076	0	35	-1.0	-42.94	320.91	5.73	-37.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007939077	0	37	-1.0	-52.57	316.29	4.75	-47.82
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300007939078	0	42	-1.0	-55.36	342.91	-0.19	-55.55
CN(C1CCOCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939079	0	41	-1.0	-44.79	317.29	2.23	-42.56
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007939080	0	41	-1.0	-50.23	344.03	5.52	-44.71
CCN1N=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007939081	0	41	-1.0	-46.17	329.32	4.16	-42.01
CC(C)N1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007939082	0	38	-1.0	-46.08	321.41	3.34	-42.74
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939083	0	41	-1.0	-55.94	340.06	5.35	-50.59
CC(C)N1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939084	0	38	-1.0	-49.46	319.59	4.73	-44.73
CC(C)C1=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1	REAL300007939085	0	38	-1.0	-57.75	317.54	2.76	-54.99
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939086	0	44	-1.0	-47.01	322.28	6.58	-40.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007939087	0	45	-1.0	-54.89	378.29	7.22	-47.67
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939088	0	40	-1.0	-49.10	341.45	3.81	-45.29
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300007939089	0	40	-1.0	-44.98	340.15	3.97	-41.01
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007939090	0	35	-1.0	-47.35	314.89	5.60	-41.75
CC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939091	0	35	-1.0	-45.78	290.45	5.11	-40.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007939092	0	38	-1.0	-46.60	329.34	7.05	-39.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007939093	0	37	-1.0	-39.08	322.46	5.77	-33.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007939094	0	36	-1.0	-46.00	320.85	4.05	-41.95
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007939095	0	39	-1.0	-46.29	338.22	5.71	-40.58
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939096	0	47	-1.0	-45.81	369.14	5.71	-40.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007939097	0	35	-1.0	-49.55	309.56	5.32	-44.23
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939098	0	43	-1.0	-47.58	356.72	4.25	-43.33
COC(CNS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1CCCCC1	REAL300007941001	0	42	-1.0	-57.49	340.07	4.04	-53.45
COC(CNS(=O)(=O)C1(C(=O)[O-])CCC1)C1CCCCC1	REAL300007941002	0	45	-1.0	-43.63	348.18	4.15	-39.48
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC(OC)C2CCCCC2)=C1	REAL300007941003	0	49	-1.0	-47.80	381.82	5.56	-42.24
COC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])C1CCCCC1	REAL300007941004	0	42	-1.0	-51.80	340.25	2.34	-49.46
COC(CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1CCCCC1	REAL300007941005	0	45	-1.0	-50.07	355.17	3.65	-46.42
COC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCC1	REAL300007941006	0	47	-2.0	-136.31	390.41	6.29	-130.02
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(OC)C1CCCCC1	REAL300007941007	0	52	-1.0	-51.76	409.68	5.52	-46.24
COC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1CCCCC1	REAL300007941008	0	44	-1.0	-48.36	359.72	3.42	-44.94
COC(CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1CCCCC1	REAL300007941009	0	48	-1.0	-56.36	377.81	6.23	-50.13
COC(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCC1	REAL300007941010	0	42	-1.0	-46.55	363.17	3.96	-42.59
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCC1	REAL300007941010	1	41	-2.0	-95.06	361.27	3.75	-91.31
COC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21)C1CCCCC1	REAL300007941011	0	51	-1.0	-53.08	399.11	7.46	-45.62
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(OC)C1CCCCC1	REAL300007941012	0	52	-1.0	-55.10	403.88	6.00	-49.10
COC1=CC=C(S(=O)(=O)NCC(OC)C2CCCCC2)C(C(=O)[O-])=C1	REAL300007941013	0	49	-1.0	-50.24	381.66	5.54	-44.70
COC(CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1CCCCC1	REAL300007941014	0	44	-1.0	-56.08	359.59	3.53	-52.55
COC(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1CCCCC1	REAL300007941015	0	42	-1.0	-44.30	347.01	1.55	-42.75
COC(CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1CCCCC1	REAL300007941016	0	45	-1.0	-51.57	362.39	2.73	-48.84
COC(CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1)C1CCCCC1	REAL300007941017	0	51	-1.0	-52.13	409.42	7.58	-44.55
COC(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300007941018	0	45	-1.0	-54.25	352.41	3.97	-50.28
COC(CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300007941019	0	48	-1.0	-56.31	370.91	4.60	-51.71
COC(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)C1CCCCC1	REAL300007941020	0	45	-1.0	-50.45	374.79	5.03	-45.42
COC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-])C1CCCCC1	REAL300007941021	0	51	-1.0	-52.48	397.33	8.53	-43.95
COC(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1CCCCC1	REAL300007941022	0	48	-1.0	-56.32	375.53	6.65	-49.67
COC(CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1CCCCC1	REAL300007941023	0	48	-1.0	-68.14	389.84	3.95	-64.19
COC(CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1CCCCC1	REAL300007941024	0	48	-1.0	-45.26	390.11	6.55	-38.71
COC(CNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1CCCCC1	REAL300007941025	0	45	-1.0	-55.75	360.68	4.26	-51.49
COC(CNS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300007941026	0	50	-1.0	-50.90	369.57	5.38	-45.52
COC(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1CCCCC1	REAL300007941027	0	42	-1.0	-44.30	347.01	1.55	-42.75
COC(CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300007941028	0	47	-1.0	-49.26	367.34	3.85	-45.41
COC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])C1CCCCC1	REAL300007941029	0	42	-1.0	-51.80	340.25	2.34	-49.46
COC(CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1CCCCC1	REAL300007941030	0	42	-1.0	-41.15	363.91	5.77	-35.38
COC(CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCCCC1	REAL300007941031	0	45	-1.0	-59.12	344.57	4.92	-54.20
COC(CNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C1CCCCC1	REAL300007941032	0	47	-1.0	-51.99	377.32	4.08	-47.91
COC(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1CCCCC1	REAL300007941033	0	48	-1.0	-56.32	375.53	6.65	-49.67
CCOC1=CC=C(S(=O)(=O)NCC(OC)C2CCCCC2)C=C1C(=O)[O-]	REAL300007941034	0	52	-1.0	-58.48	413.15	5.90	-52.58
COC(CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1CCCCC1	REAL300007941035	0	52	-1.0	-48.54	409.47	6.81	-41.73
COC(CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1CCCCC1	REAL300007941036	0	44	-1.0	-43.61	347.73	4.45	-39.16
COC(CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1)C1CCCCC1	REAL300007941037	0	50	-1.0	-55.79	405.27	5.69	-50.10
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C1	REAL300007941038	0	36	-1.0	-49.91	339.23	4.76	-45.15
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941039	0	36	-1.0	-53.57	339.25	4.75	-48.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941040	0	39	-1.0	-56.83	353.87	5.66	-51.17
CC1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300007941041	0	39	-1.0	-54.72	359.33	5.40	-49.32
O=C([O-])C1=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=CS1	REAL300007941042	0	33	-1.0	-45.87	322.45	4.53	-41.34
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941043	0	36	-1.0	-53.57	339.25	4.75	-48.82
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C1	REAL300007941044	0	36	-1.0	-49.91	339.23	4.76	-45.15
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941045	0	36	-1.0	-49.06	328.54	5.62	-43.44
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=CN1	REAL300007941046	0	34	-1.0	-51.92	327.76	2.47	-49.45
O=C([O-])CN1C=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=N1	REAL300007941047	0	36	-1.0	-53.08	343.79	2.88	-50.20
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)S1	REAL300007941048	0	33	-1.0	-48.28	331.50	3.88	-44.40
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941049	0	33	-1.0	-52.30	315.36	1.78	-50.52
O=C([O-])C1CCCN(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C1	REAL300007941050	0	41	-1.0	-49.07	355.44	3.81	-45.26
O=C([O-])C1CCN(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)CC1	REAL300007941051	0	41	-1.0	-46.36	355.86	3.85	-42.51
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941052	0	36	-1.0	-49.06	328.54	5.62	-43.44
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)O1	REAL300007941053	0	33	-1.0	-49.92	323.99	3.11	-46.81
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)O1	REAL300007941054	0	36	-1.0	-49.83	342.22	3.59	-46.24
O=C([O-])CCCS(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941055	0	35	-1.0	-54.03	325.27	3.39	-50.64
O=C([O-])C1CCCN1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941056	0	38	-1.0	-59.28	339.04	3.91	-55.37
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C1	REAL300007941057	0	39	-1.0	-60.59	363.02	5.48	-55.11
O=C([O-])C1CCN(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)CC1	REAL300007941058	0	41	-1.0	-46.36	355.86	3.85	-42.51
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941059	0	39	-1.0	-61.63	363.03	5.47	-56.16
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)O1	REAL300007941060	0	33	-1.0	-49.92	323.99	3.11	-46.81
O=C([O-])CCCS(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941061	0	35	-1.0	-54.03	325.27	3.39	-50.64
O=C([O-])C1=CSC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941062	0	33	-1.0	-50.06	332.42	3.77	-46.29
CC1=CC=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1C(=O)[O-]	REAL300007941063	0	39	-1.0	-51.88	356.18	5.81	-46.07
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=CS1	REAL300007941064	0	33	-1.0	-51.94	330.89	3.77	-48.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941065	0	39	-1.0	-48.18	349.00	5.41	-42.77
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C1	REAL300007941066	0	39	-1.0	-50.43	361.41	5.53	-44.90
O=C([O-])C1=COC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941067	0	33	-1.0	-49.49	324.24	2.86	-46.63
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941068	0	39	-1.0	-53.23	361.41	5.52	-47.71
CC1=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300007941069	0	36	-1.0	-53.83	343.98	3.85	-49.98
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941070	0	35	-1.0	-47.79	334.40	2.94	-44.85
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941071	0	32	-1.0	-49.92	316.75	3.02	-46.90
O=C([O-])C1=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)SC=N1	REAL300007941072	0	32	-1.0	-63.01	314.38	2.29	-60.72
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941073	0	35	-1.0	-52.26	325.76	3.83	-48.43
O=C([O-])CCCCCS(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941074	0	41	-1.0	-55.67	368.27	4.95	-50.72
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=N1	REAL300007941075	0	35	-1.0	-51.99	335.10	2.96	-49.03
CC1=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300007941076	0	39	-1.0	-49.24	355.25	5.29	-43.95
CN(CCC(=O)[O-])S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941077	0	37	-1.0	-49.57	338.69	2.98	-46.59
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941078	0	36	-1.0	-49.18	339.80	5.35	-43.83
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C1	REAL300007941079	0	39	-1.0	-60.59	363.02	5.48	-55.11
CC1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300007941080	0	39	-1.0	-54.72	359.33	5.40	-49.32
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941081	0	39	-1.0	-56.83	353.87	5.66	-51.17
O=C([O-])CC1(CS(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)CC1	REAL300007941082	0	39	-1.0	-48.05	349.81	4.63	-43.42
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941083	0	39	-1.0	-53.23	361.41	5.52	-47.71
CCC1=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C(C(=O)[O-])O1	REAL300007941084	0	39	-1.0	-53.46	363.18	4.66	-48.80
CC1=NC=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300007941085	0	38	-1.0	-46.81	350.68	3.47	-43.34
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941086	0	36	-1.0	-50.81	331.14	3.09	-47.72
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941087	0	36	-1.0	-50.87	341.97	3.70	-47.17
O=C([O-])C1=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)OC=C1	REAL300007941088	0	33	-1.0	-53.41	316.46	3.61	-49.80
O=C([O-])C1(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)CCC1	REAL300007941089	0	36	-1.0	-42.74	324.12	3.98	-38.76
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941090	0	33	-1.0	-52.30	315.36	1.78	-50.52
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941091	0	36	-1.0	-50.81	331.14	3.09	-47.72
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941092	0	35	-1.0	-48.38	335.44	2.88	-45.50
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941093	0	39	-1.0	-56.86	353.00	5.91	-50.95
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941094	0	33	-1.0	-46.31	338.90	3.40	-42.91
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941094	1	32	-2.0	-95.69	336.66	3.01	-92.68
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=CC=N1	REAL300007941095	0	35	-1.0	-55.37	335.31	2.97	-52.40
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=NN1	REAL300007941096	0	33	-1.0	-44.20	322.72	0.99	-43.21
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941097	0	36	-1.0	-54.86	340.75	2.50	-52.36
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C1	REAL300007941098	0	36	-1.0	-55.12	329.26	3.91	-51.21
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)C1	REAL300007941099	0	39	-1.0	-57.11	346.14	4.43	-52.68
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)S1	REAL300007941100	0	36	-1.0	-49.77	349.32	4.44	-45.33
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941101	0	39	-1.0	-57.69	351.65	5.93	-51.76
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941102	0	36	-1.0	-56.27	335.91	4.09	-52.18
O=C([O-])C1CCCCN1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941103	0	41	-1.0	-50.15	346.32	4.82	-45.33
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=NN1	REAL300007941104	0	33	-1.0	-44.20	322.72	0.99	-43.21
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941105	0	38	-1.0	-59.32	339.04	3.91	-55.41
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941106	0	33	-1.0	-52.30	315.36	1.78	-50.52
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941107	0	36	-1.0	-60.79	321.38	4.62	-56.17
CC1=CC(S(=O)(=O)NCC2=CC(F)=CC=C2OC(F)F)=CN=C1C(=O)[O-]	REAL300007941108	0	38	-1.0	-52.29	351.92	3.50	-48.79
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941109	0	39	-1.0	-57.69	351.65	5.93	-51.76
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1=CC(F)=CC=C1OC(F)F	REAL300007941110	0	35	-1.0	-43.82	324.10	3.84	-39.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941111	0	39	-1.0	-56.68	304.95	6.80	-49.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941112	0	40	-1.0	-56.23	321.19	6.16	-50.07
CC1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300007941113	0	39	-1.0	-53.27	302.17	6.49	-46.78
O=C([O-])C1=C(S(=O)(=O)N2CC3CCC(C3)C2)C=CS1	REAL300007941114	0	33	-1.0	-64.62	281.14	6.11	-58.51
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)S1	REAL300007941115	0	33	-1.0	-48.24	278.14	5.11	-43.13
O=C([O-])C1CCCN(S(=O)(=O)N2CC3CCC(C3)C2)C1	REAL300007941116	0	41	-1.0	-50.60	313.10	5.53	-45.07
O=C([O-])C1CCN(S(=O)(=O)N2CC3CCC(C3)C2)CC1	REAL300007941117	0	41	-1.0	-46.35	313.86	5.54	-40.81
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941118	0	36	-1.0	-54.56	295.53	7.21	-47.35
O=C([O-])C1=CC=C(CS(=O)(=O)N2CC3CCC(C3)C2)C=C1	REAL300007941119	0	39	-1.0	-55.11	309.44	6.76	-48.35
O=C([O-])C1CCN(S(=O)(=O)N2CC3CCC(C3)C2)CC1	REAL300007941120	0	41	-1.0	-46.35	313.86	5.54	-40.81
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941121	0	39	-1.0	-57.85	309.43	6.75	-51.10
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1	REAL300007941122	0	40	-1.0	-47.84	317.41	6.25	-41.59
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941123	0	40	-1.0	-48.15	324.73	7.22	-40.93
O=C([O-])C1=CSC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941124	0	33	-1.0	-50.43	279.17	5.03	-45.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1C	REAL300007941125	0	42	-1.0	-58.64	318.06	7.24	-51.40
CC1=CC=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1C(=O)[O-]	REAL300007941126	0	39	-1.0	-59.17	295.19	7.12	-52.05
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941127	0	43	-1.0	-54.07	349.96	6.08	-47.99
O=C([O-])C1=CC(S(=O)(=O)N2CC3CCC(C3)C2)=CS1	REAL300007941128	0	33	-1.0	-51.85	277.97	5.03	-46.82
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941129	0	39	-1.0	-49.86	314.89	7.45	-42.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941130	0	39	-1.0	-49.16	299.53	6.70	-42.46
O=C([O-])C1=C(S(=O)(=O)N2CC3CCC(C3)C2)C2=CC=CC=C2S1	REAL300007941131	0	39	-1.0	-57.44	311.71	8.16	-49.28
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1	REAL300007941132	0	39	-1.0	-48.51	308.51	6.75	-41.76
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1[N+](=O)[O-]	REAL300007941133	0	41	-1.0	-42.02	333.14	7.39	-34.63
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941134	0	39	-1.0	-51.71	308.94	6.71	-45.00
O=C([O-])C1=NSC=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941135	0	32	-1.0	-68.94	275.72	4.56	-64.38
O=C([O-])C1=C(S(=O)(=O)N2CC3CCC(C3)C2)SC=N1	REAL300007941136	0	32	-1.0	-68.99	277.28	4.15	-64.84
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941137	0	36	-1.0	-47.19	311.62	6.87	-40.32
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941138	0	36	-1.0	-47.24	316.19	6.98	-40.26
COC1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300007941139	0	40	-1.0	-59.39	313.41	6.03	-53.36
CC1=CC(S(=O)(=O)N2CC3CCC(C3)C2)=CC=C1C(=O)[O-]	REAL300007941140	0	39	-1.0	-48.30	302.12	6.50	-41.80
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CC4CCC(C4)C3)C=CC=C21	REAL300007941141	0	41	-1.0	-51.69	322.36	6.45	-45.24
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941142	0	43	-1.0	-54.07	349.96	6.08	-47.99
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941143	0	36	-1.0	-47.19	311.62	6.87	-40.32
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941144	0	36	-1.0	-51.96	275.84	5.92	-46.04
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941145	0	39	-1.0	-50.84	319.16	7.26	-43.58
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CC4CCC(C4)C3)C=C21	REAL300007941146	0	42	-1.0	-50.90	333.05	7.29	-43.61
O=C([O-])C1=CC=C(CS(=O)(=O)N2CC3CCC(C3)C2)C=C1	REAL300007941147	0	39	-1.0	-55.11	309.44	6.76	-48.35
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941148	0	40	-1.0	-56.23	321.19	6.16	-50.07
CC1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300007941149	0	39	-1.0	-53.27	302.17	6.49	-46.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941150	0	39	-1.0	-56.68	304.95	6.80	-49.88
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941151	0	40	-1.0	-46.42	325.33	6.38	-40.04
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941152	0	39	-1.0	-51.71	308.94	6.71	-45.00
COC1=C(S(=O)(=O)N2CC3CCC(C3)C2)SC(C(=O)[O-])=C1	REAL300007941153	0	37	-1.0	-47.11	315.48	5.55	-41.56
CC1=C(Br)C=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300007941154	0	39	-1.0	-46.58	328.78	7.43	-39.15
O=C([O-])C1CC2=CC(S(=O)(=O)N3CC4CCC(C4)C3)=CC=C2O1	REAL300007941155	0	41	-1.0	-49.52	322.95	6.63	-42.89
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1C(F)(F)F	REAL300007941156	0	39	-1.0	-47.69	316.25	6.76	-40.93
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CC4CCC(C4)C3)C=C2)CC1	REAL300007941157	0	43	-1.0	-52.75	341.03	8.23	-44.52
CCC1=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C(C(=O)[O-])O1	REAL300007941158	0	39	-1.0	-53.17	301.55	5.55	-47.62
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941159	0	38	-1.0	-53.02	305.32	7.28	-45.74
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CC4CCC(C4)C3)=CC=C2S1	REAL300007941160	0	39	-1.0	-50.69	323.99	7.46	-43.23
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941161	0	38	-1.0	-48.71	307.05	7.38	-41.33
CC1=NC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300007941162	0	38	-1.0	-47.45	297.61	4.60	-42.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941163	0	40	-1.0	-48.57	321.18	6.18	-42.39
COC1=CC(S(=O)(=O)N2CC3CCC(C3)C2)=CC=C1C(=O)[O-]	REAL300007941164	0	40	-1.0	-54.33	313.40	6.02	-48.31
COC1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C(CC(=O)[O-])=C1	REAL300007941165	0	43	-1.0	-66.00	337.99	7.17	-58.83
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1F	REAL300007941166	0	39	-1.0	-49.61	313.71	6.78	-42.83
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941167	0	39	-1.0	-45.87	333.60	7.36	-38.51
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1	REAL300007941168	0	45	-1.0	-49.90	348.22	7.98	-41.92
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CC4CCC(C4)C3)C=CC=C12	REAL300007941169	0	42	-1.0	-50.43	326.14	8.23	-42.20
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941170	0	36	-1.0	-54.55	300.12	7.31	-47.24
O=C([O-])C1=CC(S(=O)(=O)N2CC3CCC(C3)C2)=CC=C1Cl	REAL300007941171	0	36	-1.0	-51.72	299.27	6.32	-45.40
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941172	0	40	-1.0	-59.22	308.16	6.02	-53.20
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CC3CCC(C3)C2)=C1OC	REAL300007941173	0	48	-1.0	-50.27	381.08	7.46	-42.81
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300007941174	0	38	-2.0	-139.36	312.98	6.91	-132.45
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941175	0	43	-1.0	-54.78	334.77	6.04	-48.74
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CC2CCC(C2)C1	REAL300007941176	0	39	-1.0	-57.81	308.79	7.49	-50.32
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941177	0	33	-1.0	-47.44	287.22	4.76	-42.68
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C2=CC=CC=C12	REAL300007941178	0	42	-1.0	-51.17	325.76	8.22	-42.95
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941179	0	43	-1.0	-55.89	343.09	7.08	-48.81
COC1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C(C(=O)[O-])=C1	REAL300007941180	0	40	-1.0	-60.17	306.95	5.90	-54.27
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CC4CCC(C4)C3)C=C2C=C1	REAL300007941181	0	42	-1.0	-51.33	332.00	8.20	-43.13
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CCC(C3)C2)S1	REAL300007941182	0	36	-1.0	-49.63	304.98	6.04	-43.59
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941183	0	42	-1.0	-62.99	323.31	8.94	-54.05
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CC3CCC(C3)C2)=C1	REAL300007941184	0	39	-1.0	-42.62	323.12	7.84	-34.78
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941185	0	39	-1.0	-59.53	293.82	6.90	-52.63
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CC3CCC(C3)C1)=C2	REAL300007941186	0	36	-1.0	-47.65	324.61	6.94	-40.71
O=C([O-])C1=NC(S(=O)(=O)N2CC3CCC(C3)C2)=C2C=CC=CN21	REAL300007941187	0	39	-1.0	-67.29	321.26	5.00	-62.29
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CC4CCC(C4)C3)=C2C=C1	REAL300007941188	0	39	-1.0	-46.35	324.73	7.52	-38.83
O=C([O-])C1CCCCN1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941189	0	41	-1.0	-53.91	298.48	6.08	-47.83
O=C([O-])C1=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C(Cl)S1	REAL300007941190	0	33	-1.0	-47.37	284.78	6.16	-41.21
CC1=CC(S(=O)(=O)N2CC3CCC(C3)C2)=CN=C1C(=O)[O-]	REAL300007941191	0	38	-1.0	-51.38	298.53	4.65	-46.73
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC2CCC(C2)C1	REAL300007941192	0	39	-1.0	-59.53	293.82	6.90	-52.63
CCOC1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300007941193	0	43	-1.0	-60.04	335.89	6.92	-53.12
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CC4CCC(C4)C3)C=C2C1	REAL300007941194	0	43	-1.0	-48.63	340.33	8.23	-40.40
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CC4CCC(C4)C3)C=C2C=C1	REAL300007941195	0	41	-1.0	-54.46	327.87	6.34	-48.12
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1	REAL300007941196	0	34	-1.0	-52.72	302.66	3.48	-49.24
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941197	0	34	-1.0	-54.10	302.28	3.49	-50.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941198	0	37	-1.0	-57.35	309.60	3.91	-53.44
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941199	0	38	-1.0	-58.68	326.12	3.33	-55.35
CC1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1C(=O)[O-]	REAL300007941200	0	37	-1.0	-56.66	318.31	4.02	-52.64
O=C([O-])C1=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=CS1	REAL300007941201	0	31	-1.0	-63.78	288.41	3.23	-60.55
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941202	0	34	-1.0	-54.10	302.28	3.49	-50.61
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1	REAL300007941203	0	34	-1.0	-52.72	302.66	3.48	-49.24
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941204	0	34	-1.0	-68.20	294.50	4.64	-63.56
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=CN1	REAL300007941205	0	32	-1.0	-52.79	290.84	1.21	-51.58
O=C([O-])CN1C=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=N1	REAL300007941206	0	34	-1.0	-54.50	306.84	1.62	-52.88
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)S1	REAL300007941207	0	31	-1.0	-49.84	294.54	2.62	-47.22
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941208	0	31	-1.0	-52.18	275.47	0.41	-51.77
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3=NC=CN=C3C2)C1	REAL300007941209	0	39	-1.0	-51.35	320.10	2.62	-48.73
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=NC=CN=C3C2)CC1	REAL300007941210	0	39	-1.0	-51.73	317.43	2.50	-49.23
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941211	0	34	-1.0	-68.20	294.50	4.64	-63.56
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941212	0	34	-1.0	-59.68	309.28	5.03	-54.65
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)O1	REAL300007941213	0	31	-1.0	-51.07	287.04	1.85	-49.22
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)O1	REAL300007941214	0	34	-1.0	-52.32	305.27	2.32	-50.00
O=C([O-])C1CCCN1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941215	0	36	-1.0	-62.19	301.95	2.62	-59.57
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1	REAL300007941216	0	37	-1.0	-58.30	326.53	4.23	-54.07
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=NC=CN=C3C2)CC1	REAL300007941217	0	39	-1.0	-51.73	317.43	2.50	-49.23
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941218	0	37	-1.0	-61.95	326.53	4.22	-57.73
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)O1	REAL300007941219	0	31	-1.0	-51.07	287.04	1.85	-49.22
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1	REAL300007941220	0	38	-1.0	-51.54	333.75	3.76	-47.78
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941221	0	38	-1.0	-47.15	336.13	4.52	-42.63
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941222	0	31	-1.0	-53.01	295.47	2.51	-50.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1C	REAL300007941223	0	40	-1.0	-58.60	326.78	4.44	-54.16
CC1=CC=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1C(=O)[O-]	REAL300007941224	0	37	-1.0	-54.57	309.88	4.35	-50.22
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941225	0	41	-1.0	-57.89	357.36	3.20	-54.69
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=CS1	REAL300007941226	0	31	-1.0	-52.74	293.98	2.52	-50.22
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941227	0	37	-1.0	-58.33	333.39	5.67	-52.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941228	0	37	-1.0	-52.26	306.89	3.80	-48.46
O=C([O-])C1=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C2=CC=CC=C2S1	REAL300007941229	0	37	-1.0	-58.85	324.27	5.46	-53.39
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1	REAL300007941230	0	37	-1.0	-51.81	324.85	4.26	-47.55
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1[N+](=O)[O-]	REAL300007941231	0	39	-1.0	-44.24	343.25	4.64	-39.60
O=C([O-])C1=COC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941232	0	31	-1.0	-51.81	287.28	1.60	-50.21
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941233	0	37	-1.0	-53.87	324.45	4.26	-49.61
CC1=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C(C(=O)[O-])O1	REAL300007941234	0	34	-1.0	-57.29	300.38	2.47	-54.82
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941235	0	33	-1.0	-48.53	297.49	1.68	-46.85
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941236	0	30	-1.0	-67.56	283.14	1.67	-65.89
O=C([O-])C1=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)SC=N1	REAL300007941237	0	30	-1.0	-67.40	284.66	1.30	-66.10
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941238	0	33	-1.0	-71.78	291.37	2.89	-68.89
O=C([O-])CCCCCS(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941239	0	39	-1.0	-54.03	331.76	3.69	-50.34
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=N1	REAL300007941240	0	33	-1.0	-54.13	298.18	1.69	-52.44
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941241	0	34	-1.0	-51.20	319.02	4.00	-47.20
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941242	0	34	-1.0	-51.18	323.58	4.10	-47.08
COC1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1C(=O)[O-]	REAL300007941243	0	38	-1.0	-62.80	329.57	3.57	-59.23
CC1=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=CC=C1C(=O)[O-]	REAL300007941244	0	37	-1.0	-51.07	318.29	4.03	-47.04
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941245	0	35	-1.0	-49.69	302.73	1.65	-48.04
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCC4=NC=CN=C4C3)C=CC=C21	REAL300007941246	0	39	-1.0	-55.19	329.72	3.57	-51.62
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941247	0	41	-1.0	-57.89	357.36	3.20	-54.69
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941248	0	34	-1.0	-51.20	319.02	4.00	-47.20
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941249	0	34	-1.0	-57.14	294.94	3.58	-53.56
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941250	0	37	-1.0	-54.72	323.60	4.33	-50.39
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCC4=NC=CN=C4C3)C=C21	REAL300007941251	0	40	-1.0	-54.90	349.23	4.84	-50.06
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1	REAL300007941252	0	37	-1.0	-58.30	326.53	4.23	-54.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941253	0	38	-1.0	-58.68	326.12	3.33	-55.35
CC1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1C(=O)[O-]	REAL300007941254	0	37	-1.0	-56.66	318.31	4.02	-52.64
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941255	0	37	-1.0	-57.35	309.60	3.91	-53.44
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941256	0	38	-1.0	-47.66	332.43	3.59	-44.07
O=C([O-])CC1(CS(=O)(=O)N2CCC3=NC=CN=C3C2)CC1	REAL300007941257	0	37	-1.0	-52.72	313.38	3.35	-49.37
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941258	0	37	-1.0	-53.87	324.45	4.26	-49.61
COC1=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)SC(C(=O)[O-])=C1	REAL300007941259	0	35	-1.0	-49.52	323.88	2.42	-47.10
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCC4=NC=CN=C4C3)=CC=C2O1	REAL300007941260	0	39	-1.0	-53.19	339.11	4.14	-49.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1C(F)(F)F	REAL300007941261	0	37	-1.0	-50.14	332.40	4.31	-45.83
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCC4=NC=CN=C4C3)C=C2)CC1	REAL300007941262	0	41	-1.0	-54.62	348.79	5.36	-49.26
CCC1=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C(C(=O)[O-])O1	REAL300007941263	0	37	-1.0	-54.07	320.93	3.08	-50.99
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941264	0	36	-1.0	-62.78	322.89	5.35	-57.43
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCC4=NC=CN=C4C3)=CC=C2S1	REAL300007941265	0	37	-1.0	-54.95	340.15	4.99	-49.96
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941266	0	36	-1.0	-53.70	322.86	5.34	-48.36
CC1=NC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1C(=O)[O-]	REAL300007941267	0	36	-1.0	-50.29	313.75	2.20	-48.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941268	0	38	-1.0	-51.19	326.12	3.35	-47.84
COC1=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=CC=C1C(=O)[O-]	REAL300007941269	0	38	-1.0	-57.08	329.56	3.58	-53.50
COC1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C(CC(=O)[O-])=C1	REAL300007941270	0	41	-1.0	-64.91	346.01	4.02	-60.89
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1F	REAL300007941271	0	37	-1.0	-53.63	329.88	4.31	-49.32
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941272	0	37	-1.0	-47.71	341.34	4.50	-43.21
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1	REAL300007941273	0	43	-1.0	-51.71	355.88	5.12	-46.59
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941274	0	34	-1.0	-51.33	292.51	1.78	-49.55
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCC4=NC=CN=C4C3)C=CC=C12	REAL300007941275	0	40	-1.0	-53.33	333.50	5.34	-47.99
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941276	0	34	-1.0	-51.95	305.00	2.45	-49.50
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941277	0	34	-1.0	-60.32	315.98	5.29	-55.03
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=CC=C1Cl	REAL300007941278	0	34	-1.0	-55.05	314.81	3.88	-51.17
O=C([O-])C1=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)OC=C1	REAL300007941279	0	31	-1.0	-57.15	277.65	2.25	-54.90
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941280	0	38	-1.0	-65.09	323.97	4.00	-61.09
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941281	0	31	-1.0	-52.18	275.47	0.41	-51.77
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941282	0	34	-1.0	-51.33	292.51	1.78	-49.55
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1C(=O)[O-]	REAL300007941283	0	36	-2.0	-139.74	329.14	4.45	-135.29
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941284	0	41	-1.0	-54.62	342.62	3.15	-51.47
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941285	0	33	-1.0	-49.45	298.50	1.61	-47.84
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941286	0	37	-1.0	-55.58	316.48	4.62	-50.96
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941287	0	31	-1.0	-48.46	301.98	2.13	-46.33
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C2=CC=CC=C12	REAL300007941288	0	40	-1.0	-52.85	333.11	5.34	-47.51
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941289	0	41	-1.0	-58.07	347.97	4.25	-53.82
COC1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C(C(=O)[O-])=C1	REAL300007941290	0	38	-1.0	-68.72	322.02	3.81	-64.91
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=CC=N1	REAL300007941291	0	33	-1.0	-56.30	298.35	1.71	-54.59
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=NN1	REAL300007941292	0	31	-1.0	-46.09	285.77	-0.25	-46.34
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941293	0	34	-1.0	-55.44	303.75	1.26	-54.18
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCC4=NC=CN=C4C3)C=C2C=C1	REAL300007941294	0	40	-1.0	-55.29	348.18	5.75	-49.54
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC3=NC=CN=C3C2)C1	REAL300007941295	0	37	-1.0	-54.43	301.35	2.88	-51.55
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)S1	REAL300007941296	0	34	-1.0	-53.00	312.41	3.17	-49.83
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941297	0	40	-1.0	-72.22	340.36	6.96	-65.26
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C1	REAL300007941298	0	37	-1.0	-45.26	330.52	4.99	-40.27
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941299	0	37	-1.0	-63.03	313.98	4.82	-58.21
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CCC3=NC=CN=C3C1)=C2	REAL300007941300	0	34	-1.0	-51.44	332.00	4.07	-47.37
O=C([O-])C1=NC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=C2C=CC=CN21	REAL300007941301	0	37	-1.0	-66.85	328.65	2.13	-64.72
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCC4=NC=CN=C4C3)=C2C=C1	REAL300007941302	0	37	-1.0	-47.83	328.91	4.74	-43.09
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941303	0	39	-1.0	-50.67	303.02	3.17	-47.50
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=NN1	REAL300007941304	0	31	-1.0	-46.09	285.77	-0.25	-46.34
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941305	0	36	-1.0	-60.92	304.10	2.32	-58.60
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941306	0	31	-1.0	-52.18	275.47	0.41	-51.77
O=C([O-])C1=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C(Cl)S1	REAL300007941307	0	31	-1.0	-57.18	305.42	3.84	-53.34
CC1=CC(S(=O)(=O)N2CCC3=NC=CN=C3C2)=CN=C1C(=O)[O-]	REAL300007941308	0	36	-1.0	-53.69	314.89	2.23	-51.46
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941309	0	37	-1.0	-63.03	313.98	4.82	-58.21
CCOC1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1C(=O)[O-]	REAL300007941310	0	41	-1.0	-63.25	351.46	4.46	-58.79
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCC4=NC=CN=C4C3)C=C2C1	REAL300007941311	0	41	-1.0	-55.06	347.73	5.38	-49.68
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC2=NC=CN=C2C1	REAL300007941312	0	33	-1.0	-60.23	290.16	2.82	-57.41
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCC4=NC=CN=C4C3)C=C2C=C1	REAL300007941313	0	39	-1.0	-58.87	344.03	3.89	-54.98
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1	REAL300007941314	0	39	-1.0	-48.19	338.52	7.97	-40.22
O=C([O-])C1=CC=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941315	0	39	-1.0	-52.11	338.37	7.94	-44.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941316	0	42	-1.0	-49.64	351.30	8.75	-40.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941317	0	43	-1.0	-56.68	361.79	7.86	-48.82
CC1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1C(=O)[O-]	REAL300007941318	0	42	-1.0	-51.75	354.38	8.49	-43.26
O=C([O-])C1=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=CS1	REAL300007941319	0	36	-1.0	-62.14	320.54	7.54	-54.60
O=C([O-])C1=CC=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941320	0	39	-1.0	-52.11	338.37	7.94	-44.17
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1	REAL300007941321	0	39	-1.0	-48.19	338.52	7.97	-40.22
O=C([O-])C1=CC=CC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941322	0	39	-1.0	-67.81	328.09	8.93	-58.88
O=C([O-])CN1C=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=N1	REAL300007941323	0	39	-1.0	-50.54	344.00	6.12	-44.42
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)S1	REAL300007941324	0	36	-1.0	-47.01	331.47	7.10	-39.91
O=C([O-])C1CCCN(S(=O)(=O)N(CC2CC2)CC2CC2)C1	REAL300007941325	0	44	-1.0	-47.49	346.58	6.70	-40.79
O=C([O-])C1CCN(S(=O)(=O)N(CC2CC2)CC2CC2)CC1	REAL300007941326	0	44	-1.0	-46.13	347.08	6.74	-39.39
O=C([O-])C1=CC=CC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941327	0	39	-1.0	-67.81	328.09	8.93	-58.88
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941328	0	39	-1.0	-59.19	343.17	9.46	-49.73
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(CC2CC2)CC2CC2)O1	REAL300007941329	0	39	-1.0	-50.37	342.41	6.83	-43.54
O=C([O-])C1CCCN1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941330	0	41	-1.0	-61.90	335.81	6.61	-55.29
O=C([O-])C1=CC=C(CS(=O)(=O)N(CC2CC2)CC2CC2)C=C1	REAL300007941331	0	42	-1.0	-56.08	363.19	8.74	-47.34
O=C([O-])C1CCN(S(=O)(=O)N(CC2CC2)CC2CC2)CC1	REAL300007941332	0	44	-1.0	-46.13	347.08	6.74	-39.39
O=C([O-])C1=CC=CC(CS(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941333	0	42	-1.0	-57.90	363.21	8.72	-49.18
O=C([O-])COC1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1	REAL300007941334	0	43	-1.0	-47.55	369.63	8.23	-39.32
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941335	0	43	-1.0	-53.77	378.51	8.98	-44.79
O=C([O-])C1=CSC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941336	0	36	-1.0	-50.33	332.51	7.00	-43.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1C	REAL300007941337	0	45	-1.0	-50.72	370.17	9.26	-41.46
CC1=CC=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1C(=O)[O-]	REAL300007941338	0	42	-1.0	-72.29	354.58	8.91	-63.38
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941339	0	46	-1.0	-55.10	393.50	7.67	-47.43
O=C([O-])C1=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=CS1	REAL300007941340	0	36	-1.0	-50.25	330.76	7.01	-43.24
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941341	0	42	-1.0	-56.76	366.90	9.95	-46.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941342	0	42	-1.0	-55.67	347.65	8.59	-47.08
O=C([O-])C1=C(S(=O)(=O)N(CC2CC2)CC2CC2)C2=CC=CC=C2S1	REAL300007941343	0	42	-1.0	-57.19	356.80	9.91	-47.28
O=C([O-])CC1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1	REAL300007941344	0	42	-1.0	-48.48	360.73	8.74	-39.74
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1[N+](=O)[O-]	REAL300007941345	0	44	-1.0	-43.16	376.68	8.99	-34.17
O=C([O-])CC1=CC=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941346	0	42	-1.0	-52.09	360.57	8.72	-43.37
CC1=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C(C(=O)[O-])O1	REAL300007941347	0	39	-1.0	-54.43	335.82	6.92	-47.51
O=C([O-])C1=CN=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941348	0	38	-1.0	-47.65	333.63	6.15	-41.50
O=C([O-])C1=NSC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941349	0	35	-1.0	-66.14	315.49	5.93	-60.21
O=C([O-])C1=C(S(=O)(=O)N(CC2CC2)CC2CC2)SC=N1	REAL300007941350	0	35	-1.0	-66.72	314.62	5.43	-61.29
O=C([O-])C1=NC=CC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941351	0	38	-1.0	-70.68	325.59	7.03	-63.65
O=C([O-])CCCCCS(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941352	0	44	-1.0	-51.57	368.43	8.19	-43.38
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=N1	REAL300007941353	0	38	-1.0	-49.85	334.35	6.16	-43.69
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941354	0	39	-1.0	-46.80	355.28	8.47	-38.33
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941355	0	39	-1.0	-46.87	359.84	8.58	-38.29
COC1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1C(=O)[O-]	REAL300007941356	0	43	-1.0	-57.63	365.64	8.02	-49.61
CC1=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=CC=C1C(=O)[O-]	REAL300007941357	0	42	-1.0	-47.51	354.40	8.50	-39.01
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N(CC3CC3)CC3CC3)C=CC=C21	REAL300007941358	0	44	-1.0	-56.37	369.89	8.38	-47.99
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941359	0	46	-1.0	-55.10	393.50	7.67	-47.43
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941360	0	39	-1.0	-46.80	355.28	8.47	-38.33
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941361	0	39	-1.0	-50.05	321.95	7.82	-42.23
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941362	0	42	-1.0	-45.14	365.43	9.16	-35.98
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N(CC3CC3)CC3CC3)C=C21	REAL300007941363	0	45	-1.0	-50.41	385.45	9.31	-41.10
O=C([O-])C1=CC=C(CS(=O)(=O)N(CC2CC2)CC2CC2)C=C1	REAL300007941364	0	42	-1.0	-56.08	363.19	8.74	-47.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941365	0	43	-1.0	-56.68	361.79	7.86	-48.82
CC1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1C(=O)[O-]	REAL300007941366	0	42	-1.0	-51.75	354.38	8.49	-43.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941367	0	42	-1.0	-49.64	351.30	8.75	-40.89
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941368	0	43	-1.0	-43.82	374.00	7.90	-35.92
O=C([O-])CC1(CS(=O)(=O)N(CC2CC2)CC2CC2)CC1	REAL300007941369	0	42	-1.0	-54.88	348.05	7.88	-47.00
O=C([O-])CC1=CC=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941370	0	42	-1.0	-52.09	360.57	8.72	-43.37
COC1=C(S(=O)(=O)N(CC2CC2)CC2CC2)SC(C(=O)[O-])=C1	REAL300007941371	0	40	-1.0	-46.65	351.76	7.14	-39.51
O=C([O-])C1CC2=CC(S(=O)(=O)N(CC3CC3)CC3CC3)=CC=C2O1	REAL300007941372	0	44	-1.0	-49.36	375.27	8.63	-40.73
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1C(F)(F)F	REAL300007941373	0	42	-1.0	-46.39	368.48	8.78	-37.61
O=C([O-])C1(C2=CC=C(S(=O)(=O)N(CC3CC3)CC3CC3)C=C2)CC1	REAL300007941374	0	46	-1.0	-52.44	384.52	9.83	-42.61
CCC1=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C(C(=O)[O-])O1	REAL300007941375	0	42	-1.0	-54.48	349.96	7.38	-47.10
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941376	0	41	-1.0	-61.05	356.39	9.61	-51.44
O=C([O-])C1=CC2=CC(S(=O)(=O)N(CC3CC3)CC3CC3)=CC=C2S1	REAL300007941377	0	42	-1.0	-50.45	376.31	9.46	-40.99
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941378	0	41	-1.0	-51.84	356.34	9.62	-42.22
CC1=NC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1C(=O)[O-]	REAL300007941379	0	41	-1.0	-47.11	349.93	6.67	-40.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941380	0	43	-1.0	-48.51	361.82	7.88	-40.63
COC1=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=CC=C1C(=O)[O-]	REAL300007941381	0	43	-1.0	-53.45	361.94	7.91	-45.54
COC1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C(CC(=O)[O-])=C1	REAL300007941382	0	46	-1.0	-65.27	380.87	8.22	-57.05
O=C([O-])CC1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1F	REAL300007941383	0	42	-1.0	-50.32	366.02	8.77	-41.55
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941384	0	42	-1.0	-45.54	375.65	8.90	-36.64
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1	REAL300007941385	0	48	-1.0	-49.70	393.47	9.63	-40.07
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941386	0	39	-1.0	-48.96	320.31	5.97	-42.99
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N(CC3CC3)CC3CC3)C=CC=C12	REAL300007941387	0	45	-1.0	-53.77	372.20	10.16	-43.61
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941388	0	39	-1.0	-50.38	342.14	6.95	-43.43
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941389	0	39	-1.0	-59.14	347.73	9.55	-49.59
O=C([O-])C1=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=CC=C1Cl	REAL300007941390	0	39	-1.0	-51.65	350.92	8.34	-43.31
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941391	0	43	-1.0	-64.05	355.82	8.24	-55.81
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1OC	REAL300007941392	0	51	-1.0	-49.89	419.81	9.15	-40.74
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941393	0	39	-1.0	-48.96	320.31	5.97	-42.99
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1C(=O)[O-]	REAL300007941394	0	41	-2.0	-134.87	365.88	8.81	-126.06
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941395	0	46	-1.0	-48.15	385.01	7.99	-40.16
O=C([O-])C1=CC=NC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941396	0	38	-1.0	-48.80	334.57	6.09	-42.71
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941397	0	42	-1.0	-55.78	351.26	9.08	-46.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941398	0	36	-1.0	-46.48	339.08	6.65	-39.83
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C2=CC=CC=C12	REAL300007941399	0	45	-1.0	-51.88	373.12	10.18	-41.70
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941400	0	46	-1.0	-56.28	383.42	8.76	-47.52
COC1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C(C(=O)[O-])=C1	REAL300007941401	0	43	-1.0	-68.59	355.89	8.22	-60.37
O=C([O-])C1=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=CC=N1	REAL300007941402	0	38	-1.0	-53.82	334.61	6.17	-47.65
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941403	0	39	-1.0	-53.64	342.28	5.69	-47.95
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N(CC3CC3)CC3CC3)C=C2C=C1	REAL300007941404	0	45	-1.0	-50.84	384.16	10.19	-40.65
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N(CC2CC2)CC2CC2)C1	REAL300007941405	0	42	-1.0	-54.23	335.10	7.23	-47.00
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(CC2CC2)CC2CC2)S1	REAL300007941406	0	39	-1.0	-50.32	349.36	7.66	-42.66
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941407	0	45	-1.0	-71.78	372.07	11.21	-60.57
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N(CC2CC2)CC2CC2)=C1	REAL300007941408	0	42	-1.0	-43.08	362.40	9.26	-33.82
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941409	0	42	-1.0	-63.65	351.43	9.05	-54.60
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N(CC1CC1)CC1CC1)=C2	REAL300007941410	0	39	-1.0	-47.56	369.00	8.58	-38.98
O=C([O-])C1=NC(S(=O)(=O)N(CC2CC2)CC2CC2)=C2C=CC=CN21	REAL300007941411	0	42	-1.0	-67.08	357.81	6.29	-60.79
O=C([O-])C1=CN2C=NC(S(=O)(=O)N(CC3CC3)CC3CC3)=C2C=C1	REAL300007941412	0	42	-1.0	-45.80	367.49	9.20	-36.60
O=C([O-])C1CCCCN1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941413	0	44	-1.0	-53.36	338.35	7.64	-45.72
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941414	0	41	-1.0	-61.49	337.62	6.77	-54.72
O=C([O-])C1=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C(Cl)S1	REAL300007941415	0	36	-1.0	-55.79	340.59	8.20	-47.59
CC1=CC(S(=O)(=O)N(CC2CC2)CC2CC2)=CN=C1C(=O)[O-]	REAL300007941416	0	41	-1.0	-50.06	350.91	6.73	-43.33
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941417	0	42	-1.0	-63.65	351.43	9.05	-54.60
CCOC1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1C(=O)[O-]	REAL300007941418	0	46	-1.0	-59.97	387.53	8.93	-51.04
O=C([O-])C1CC2=CC=C(S(=O)(=O)N(CC3CC3)CC3CC3)C=C2C1	REAL300007941419	0	46	-1.0	-48.45	383.51	9.85	-38.60
O=C([O-])C1=CC=NC=C1S(=O)(=O)N(CC1CC1)CC1CC1	REAL300007941420	0	38	-1.0	-59.32	323.62	7.12	-52.20
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N(CC3CC3)CC3CC3)C=C2C=C1	REAL300007941421	0	44	-1.0	-54.09	380.03	8.32	-45.77
CC(=O)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941422	0	35	-1.0	-69.32	295.55	5.40	-63.92
CCC(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941423	0	42	-1.0	-57.69	338.02	7.75	-49.94
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(Cl)S1	REAL300007941424	0	27	-1.0	-50.63	268.37	4.73	-45.90
COC1=CC=C(C)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941425	0	37	-1.0	-63.50	308.57	5.79	-57.71
CC1=CC=C(Br)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941426	0	33	-1.0	-56.06	288.29	6.28	-49.78
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007941427	0	34	-1.0	-56.10	303.59	5.59	-50.51
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941428	0	36	-1.0	-63.11	320.03	2.68	-60.43
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007941429	0	34	-1.0	-50.80	304.80	4.88	-45.92
COC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1OC	REAL300007941430	0	41	-1.0	-57.74	326.46	4.91	-52.83
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941431	0	33	-1.0	-57.44	296.21	6.02	-51.42
CN(C1CCCCC1)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941432	0	41	-1.0	-57.42	316.04	5.55	-51.87
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007941433	0	46	-1.0	-57.38	361.22	8.96	-48.42
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007941434	0	36	-1.0	-56.51	302.98	4.24	-52.27
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1Br	REAL300007941435	0	30	-1.0	-57.17	274.18	5.60	-51.57
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007941436	0	30	-1.0	-53.79	276.35	5.63	-48.16
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941437	0	35	-1.0	-54.27	287.38	6.85	-47.42
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007941438	0	36	-1.0	-53.21	323.77	7.11	-46.10
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941439	0	40	-1.0	-62.37	345.09	1.66	-60.71
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941440	0	41	-1.0	-53.99	341.77	6.99	-47.00
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007941441	0	36	-1.0	-59.98	304.79	5.69	-54.29
COCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941442	0	37	-1.0	-58.80	314.41	4.88	-53.92
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300007941443	0	36	-1.0	-55.72	308.70	2.81	-52.91
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941444	0	39	-1.0	-71.47	344.36	3.38	-68.09
CS(=O)(=O)CCCS(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941445	0	35	-1.0	-66.61	310.76	1.12	-65.49
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1C	REAL300007941446	0	40	-1.0	-55.37	312.12	5.48	-49.89
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007941447	0	35	-1.0	-61.53	317.82	5.79	-55.74
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007941448	0	33	-1.0	-54.64	306.84	6.45	-48.19
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007941449	0	35	-1.0	-56.41	299.47	5.48	-50.93
CN(C1CCOCC1)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941450	0	39	-1.0	-54.10	306.04	3.15	-50.95
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=NN1C1=CC=CC=N1	REAL300007941451	0	39	-1.0	-60.82	329.76	6.44	-54.38
CCN1N=C(C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1C	REAL300007941452	0	39	-1.0	-58.44	312.92	4.86	-53.58
CC(C)CN1C=NC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941453	0	39	-1.0	-67.55	326.43	6.62	-60.93
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941454	0	42	-1.0	-54.33	311.75	7.85	-46.48
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007941455	0	43	-1.0	-62.38	362.37	7.73	-54.65
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941456	0	38	-1.0	-70.86	321.51	4.44	-66.42
COC1=CC(Cl)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1OC	REAL300007941457	0	38	-1.0	-54.73	327.36	4.63	-50.10
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Br	REAL300007941458	0	33	-1.0	-50.19	294.69	6.21	-43.98
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007941459	0	36	-1.0	-57.39	313.56	7.56	-49.83
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007941460	0	35	-1.0	-56.25	319.83	6.71	-49.54
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007941461	0	34	-1.0	-55.32	300.67	4.66	-50.66
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007941462	0	37	-1.0	-55.66	324.33	6.46	-49.20
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941463	0	45	-1.0	-58.35	352.85	6.43	-51.92
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007941464	0	33	-1.0	-60.16	293.51	6.09	-54.07
COCC1=CC=C(OC)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941465	0	41	-1.0	-65.13	342.22	4.85	-60.28
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)O1	REAL300007950001	0	40	-1.0	-49.28	324.55	5.53	-43.75
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)O1	REAL300007950002	0	43	-1.0	-49.44	342.79	6.01	-43.43
O=C([O-])CCCS(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950003	0	42	-1.0	-51.93	325.89	5.80	-46.13
O=C([O-])C1CCCN1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950004	0	45	-1.0	-45.95	335.44	5.56	-40.39
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1	REAL300007950005	0	46	-1.0	-57.90	363.58	7.90	-50.00
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CCSCC3)CC2)CC1	REAL300007950006	0	48	-1.0	-46.79	354.55	6.16	-40.63
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950007	0	46	-1.0	-59.86	363.60	7.89	-51.97
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)O1	REAL300007950008	0	40	-1.0	-49.28	324.55	5.53	-43.75
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1	REAL300007950009	0	47	-1.0	-48.34	370.97	7.46	-40.88
O=C([O-])CCCS(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950010	0	42	-1.0	-51.93	325.89	5.80	-46.13
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950011	0	40	-1.0	-49.58	332.99	6.20	-43.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1C	REAL300007950012	0	49	-1.0	-57.45	363.98	8.09	-49.36
CC1=CC=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1C(=O)[O-]	REAL300007950013	0	46	-1.0	-54.53	348.04	8.05	-46.48
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950014	0	50	-1.0	-53.33	394.85	6.88	-46.45
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=CS1	REAL300007950015	0	40	-1.0	-50.61	331.46	6.20	-44.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950016	0	46	-1.0	-48.33	341.11	7.39	-40.94
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1	REAL300007950017	0	46	-1.0	-49.01	361.98	7.95	-41.06
O=C([O-])C1=COC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950018	0	40	-1.0	-48.87	324.80	5.28	-43.59
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950019	0	46	-1.0	-52.00	361.98	7.95	-44.05
CC1=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C(C(=O)[O-])O1	REAL300007950020	0	43	-1.0	-53.95	337.99	6.14	-47.81
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950021	0	42	-1.0	-46.89	334.94	5.37	-41.52
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950022	0	39	-1.0	-66.06	320.59	5.35	-60.71
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)SC=N1	REAL300007950023	0	39	-1.0	-55.67	316.96	4.65	-51.02
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950024	0	42	-1.0	-68.67	322.79	6.24	-62.43
O=C([O-])CCCCCS(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950025	0	48	-1.0	-53.00	368.89	7.36	-45.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=N1	REAL300007950026	0	42	-1.0	-50.74	335.67	5.38	-45.36
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950027	0	43	-1.0	-46.83	356.51	7.68	-39.15
COC1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1C(=O)[O-]	REAL300007950028	0	47	-1.0	-58.51	367.09	7.24	-51.27
CC1=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=CC=C1C(=O)[O-]	REAL300007950029	0	46	-1.0	-48.16	355.83	7.71	-40.45
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950030	0	44	-1.0	-48.58	339.19	5.38	-43.20
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950031	0	50	-1.0	-53.33	394.85	6.88	-46.45
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950032	0	43	-1.0	-46.83	356.51	7.68	-39.15
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950033	0	43	-1.0	-50.98	333.25	7.33	-43.65
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1	REAL300007950034	0	46	-1.0	-57.90	363.58	7.90	-50.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950035	0	47	-1.0	-55.54	364.20	6.99	-48.55
CC1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1C(=O)[O-]	REAL300007950036	0	46	-1.0	-51.69	355.83	7.70	-43.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950037	0	46	-1.0	-56.24	347.16	7.58	-48.66
O=C([O-])CC1(CS(=O)(=O)N2CCC3(CCSCC3)CC2)CC1	REAL300007950038	0	46	-1.0	-51.37	350.96	7.02	-44.35
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950039	0	46	-1.0	-52.00	361.98	7.95	-44.05
COC1=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)SC(C(=O)[O-])=C1	REAL300007950040	0	44	-1.0	-47.42	362.31	5.70	-41.72
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCC4(CCSCC4)CC3)=CC=C2O1	REAL300007950041	0	48	-1.0	-50.36	376.60	7.84	-42.52
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCC4(CCSCC4)CC3)C=C2)CC1	REAL300007950042	0	50	-1.0	-50.82	385.94	9.06	-41.76
CCC1=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C(C(=O)[O-])O1	REAL300007950043	0	46	-1.0	-52.61	358.16	6.80	-45.81
CC1=NC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1C(=O)[O-]	REAL300007950044	0	45	-1.0	-45.95	351.26	5.89	-40.06
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950045	0	47	-1.0	-48.49	364.33	7.00	-41.49
COC1=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=CC=C1C(=O)[O-]	REAL300007950046	0	47	-1.0	-54.00	367.07	7.25	-46.75
COC1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C(CC(=O)[O-])=C1	REAL300007950047	0	50	-1.0	-62.04	376.56	7.70	-54.34
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1F	REAL300007950048	0	46	-1.0	-51.01	367.39	7.99	-43.02
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1	REAL300007950049	0	52	-1.0	-49.83	393.06	8.82	-41.01
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950050	0	43	-1.0	-50.44	330.56	5.55	-44.89
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950051	0	43	-1.0	-50.24	342.52	6.15	-44.09
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=CC=C1Cl	REAL300007950052	0	43	-1.0	-50.19	352.31	7.56	-42.63
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)OC=C1	REAL300007950053	0	40	-1.0	-59.47	318.25	5.92	-53.55
O=C([O-])C1(S(=O)(=O)N2CCC3(CCSCC3)CC2)CCC1	REAL300007950054	0	43	-1.0	-41.89	317.81	6.01	-35.88
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950055	0	47	-1.0	-62.88	361.54	7.66	-55.22
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950056	0	40	-1.0	-51.29	313.39	4.09	-47.20
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950057	0	43	-1.0	-50.44	330.56	5.55	-44.89
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1C(=O)[O-]	REAL300007950058	0	45	-2.0	-135.43	366.66	8.13	-127.30
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950059	0	50	-1.0	-53.87	379.12	6.82	-47.05
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950060	0	42	-1.0	-50.12	336.79	5.25	-44.87
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950061	0	46	-1.0	-55.49	353.18	8.32	-47.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C1	REAL300007950062	0	40	-1.0	-45.83	339.46	5.83	-40.00
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950063	0	50	-1.0	-55.07	386.05	7.91	-47.16
COC1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C(C(=O)[O-])=C1	REAL300007950064	0	47	-1.0	-67.31	359.96	7.48	-59.83
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=CC=N1	REAL300007950065	0	42	-1.0	-54.98	335.87	5.41	-49.57
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=NN1	REAL300007950066	0	40	-1.0	-43.60	323.28	3.42	-40.18
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950067	0	43	-1.0	-54.51	339.21	4.86	-49.65
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC3(CCSCC3)CC2)C1	REAL300007950068	0	43	-1.0	-53.14	329.87	6.33	-46.81
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC3(CCSCC3)CC2)C1	REAL300007950069	0	46	-1.0	-54.98	346.83	6.88	-48.10
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)S1	REAL300007950070	0	43	-1.0	-50.18	351.68	6.88	-43.30
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950071	0	46	-1.0	-62.25	354.29	8.44	-53.81
O=C([O-])C1=NC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=C2C=CC=CN21	REAL300007950072	0	46	-1.0	-61.56	367.72	5.77	-55.79
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCC4(CCSCC4)CC3)=C2C=C1	REAL300007950073	0	46	-1.0	-44.91	366.42	8.42	-36.49
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950074	0	43	-1.0	-53.76	337.02	6.49	-47.27
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950075	0	48	-1.0	-50.99	342.97	6.73	-44.26
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=NN1	REAL300007950076	0	40	-1.0	-43.60	323.28	3.42	-40.18
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950077	0	45	-1.0	-58.78	340.10	6.30	-52.48
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950078	0	40	-1.0	-51.29	313.39	4.09	-47.20
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C(Cl)S1	REAL300007950079	0	40	-1.0	-54.77	342.04	7.48	-47.29
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950080	0	43	-1.0	-57.95	320.15	6.90	-51.05
CC1=CC(S(=O)(=O)N2CCC3(CCSCC3)CC2)=CN=C1C(=O)[O-]	REAL300007950081	0	45	-1.0	-51.25	352.43	5.93	-45.32
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950082	0	46	-1.0	-62.25	354.29	8.44	-53.81
CCOC1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1C(=O)[O-]	REAL300007950083	0	50	-1.0	-58.26	388.94	8.15	-50.11
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCC4(CCSCC4)CC3)C=C2C1	REAL300007950084	0	50	-1.0	-48.95	385.22	9.06	-39.89
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC2(CCSCC2)CC1	REAL300007950085	0	42	-1.0	-57.26	321.19	6.23	-51.03
CCC(CC)(CNS(=O)(=O)C1=CC=CC(F)=C1)C(=O)[O-]	REAL300007950086	0	37	-1.0	-49.02	309.22	4.61	-44.41
CCC(CC)(CNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007950087	0	42	-1.0	-58.32	345.59	5.03	-53.29
CCC(C)C1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950088	0	49	-1.0	-48.07	381.47	7.15	-40.92
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)S1)C(=O)[O-]	REAL300007950089	0	37	-1.0	-55.20	316.20	4.33	-50.87
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007950090	0	34	-1.0	-44.36	311.76	4.17	-40.19
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007950091	0	44	-1.0	-51.56	343.48	5.14	-46.42
CCC(CC)(CNS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007950092	0	40	-1.0	-42.58	337.15	6.25	-36.33
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007950093	0	41	-1.0	-47.41	338.80	4.99	-42.42
CCC(CC)(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007950094	0	43	-1.0	-60.26	363.07	2.05	-58.21
CCC(CC)(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007950095	0	41	-1.0	-47.08	347.55	4.43	-42.65
CCC(CC)(CNS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007950096	0	48	-1.0	-45.53	374.16	4.80	-40.73
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007950097	0	40	-1.0	-52.35	333.82	5.94	-46.41
CCC(CC)(CNS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007950098	0	48	-1.0	-45.83	357.54	5.17	-40.66
CCC(CC)(CNS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007950099	0	43	-1.0	-49.43	339.48	3.58	-45.85
CCC(CC)(CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007950100	0	53	-1.0	-47.78	404.66	8.36	-39.42
CCC(CC)(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007950101	0	43	-1.0	-56.09	346.87	3.69	-52.40
CCC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950102	0	43	-1.0	-52.56	340.81	6.02	-46.54
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007950103	0	37	-1.0	-56.28	318.87	5.27	-51.01
CCC(CC)(CNS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007950104	0	37	-1.0	-53.75	323.69	5.15	-48.60
CCC(CC)(CNS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950105	0	42	-1.0	-60.91	331.60	6.91	-54.00
CCC(CC)(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007950106	0	43	-1.0	-47.06	362.40	6.72	-40.34
CCC(CC)(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007950107	0	47	-1.0	-53.22	384.36	1.23	-51.99
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007950108	0	48	-1.0	-55.53	385.00	6.37	-49.16
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007950109	0	40	-1.0	-51.22	325.74	5.31	-45.91
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007950110	0	43	-1.0	-52.89	343.63	5.08	-47.81
CCC(CC)(CNS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007950111	0	44	-1.0	-53.34	352.99	4.31	-49.03
CCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=N1	REAL300007950112	0	43	-1.0	-49.56	346.95	2.20	-47.36
CCC(CC)(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007950113	0	46	-1.0	-59.86	387.83	2.76	-57.10
CCC(CC)(CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007950114	0	42	-1.0	-71.00	346.90	0.60	-70.40
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007950115	0	47	-1.0	-48.02	363.22	5.38	-42.64
CCC(CC)(CNS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007950116	0	40	-1.0	-45.45	345.47	6.05	-39.40
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007950117	0	42	-1.0	-49.33	342.53	5.02	-44.31
CCC(CC)(CNS(=O)(=O)C1=C(C)N(C)N=C1)C(=O)[O-]	REAL300007950118	0	40	-1.0	-56.66	324.63	2.72	-53.94
CCC(CC)(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007950119	0	47	-1.0	-57.00	373.48	0.14	-56.86
CCC(CC)(CNS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007950120	0	46	-1.0	-44.50	348.26	2.78	-41.72
CCC(CC)(CNS(=O)(=O)N1CC2CCC1C2)C(=O)[O-]	REAL300007950121	0	43	-1.0	-53.80	324.32	4.08	-49.72
CCC(CC)(CNS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007950122	0	46	-1.0	-54.69	371.25	5.90	-48.79
CCN1N=C(C)C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1C	REAL300007950123	0	46	-1.0	-51.30	360.97	4.58	-46.72
CCC(CC)(CNS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007950124	0	43	-1.0	-51.13	347.56	3.63	-47.50
CCC(CC)(CNS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007950125	0	46	-1.0	-50.77	366.09	5.88	-44.89
CCC(CC)(CNS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007950126	0	43	-1.0	-56.52	348.24	4.92	-51.60
CCC(CC)(CNS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007950127	0	43	-1.0	-59.41	344.16	3.13	-56.28
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007950128	0	49	-1.0	-48.52	354.95	7.09	-41.43
CCC(CC)(CNS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007950129	0	45	-1.0	-65.46	368.84	3.95	-61.51
CCC(CC)(CNS(=O)(=O)CC1CCCOC1)C(=O)[O-]	REAL300007950130	0	44	-1.0	-61.27	336.17	3.27	-58.00
CCC(CC)(CNS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007950131	0	45	-1.0	-54.93	362.72	3.80	-51.13
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007950132	0	40	-1.0	-54.02	341.88	5.73	-48.29
CCC(CC)(CNS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007950133	0	40	-1.0	-50.51	318.65	5.39	-45.12
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007950134	0	43	-1.0	-53.64	357.80	7.31	-46.33
CCC(CC)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007950135	0	42	-1.0	-48.25	350.66	6.81	-41.44
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007950136	0	41	-1.0	-51.31	343.40	4.22	-47.09
CCC(CC)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007950137	0	44	-1.0	-50.20	358.43	6.40	-43.80
CCC(CC)(CNS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007950138	0	52	-1.0	-48.69	401.14	6.00	-42.69
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007950139	0	40	-1.0	-48.79	334.99	5.42	-43.37
CCC(CC)(CNS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007950140	0	48	-1.0	-53.86	377.14	4.19	-49.67
CCC(CC)(CNS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007950141	0	41	-1.0	-50.46	328.47	4.54	-45.92
CCC(CC)(CNS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007950142	0	48	-1.0	-62.37	392.61	4.69	-57.68
CCC(CC)(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007950143	0	48	-1.0	-53.13	394.66	1.51	-51.62
CCC(CC)(CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007950144	0	55	-1.0	-54.77	389.46	6.23	-48.54
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007950145	0	45	-1.0	-57.78	356.05	6.23	-51.55
CCC(CC)(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950146	0	45	-1.0	-52.97	367.72	6.44	-46.53
CCN(CC1CC1)S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950147	0	45	-1.0	-56.49	351.57	4.90	-51.59
CCC(CC)(CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007950148	0	48	-1.0	-52.76	375.07	3.12	-49.64
CCCN1C=NC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300007950149	0	43	-1.0	-51.68	350.12	5.30	-46.38
CCC(CC)(CNS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300007950150	0	51	-1.0	-50.23	408.89	2.02	-48.21
CCC(CC)(CNS(=O)(=O)CCOCC1CC1)C(=O)[O-]	REAL300007950151	0	44	-1.0	-53.51	348.96	3.87	-49.64
CCC(CC)(CNS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007950152	0	53	-1.0	-45.29	401.23	6.08	-39.21
CCOCC(C)CS(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950153	0	46	-1.0	-60.04	358.25	3.82	-56.22
CCC(CC)(CNS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007950154	0	44	-1.0	-47.34	371.02	4.86	-42.48
CCC(CC)(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007950155	0	45	-1.0	-51.75	355.96	2.32	-49.43
CCC(CC)(CNS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007950156	0	41	-1.0	-46.40	352.34	4.56	-41.84
CCC(CC)(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007950157	0	41	-1.0	-49.11	338.48	4.83	-44.28
CCC(CC)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007950158	0	43	-1.0	-46.81	357.07	5.38	-41.43
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007950159	0	43	-1.0	-43.89	357.42	6.36	-37.53
CCC(CC)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007950160	0	43	-1.0	-42.24	354.92	6.63	-35.61
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007950161	0	43	-1.0	-45.73	357.23	6.07	-39.66
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007950162	0	46	-1.0	-57.52	352.45	6.51	-51.01
CCC(CC)(CNS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007950163	0	49	-1.0	-60.67	376.06	1.51	-59.16
CCOC1=CC=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300007950164	0	44	-1.0	-50.93	352.91	4.87	-46.06
CCC(CC)(CNS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007950165	0	44	-1.0	-49.86	361.29	2.24	-47.62
CCC(CC)(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007950166	0	44	-1.0	-58.81	366.76	5.08	-53.73
CCC(CC)(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007950167	0	45	-1.0	-48.95	373.89	6.89	-42.06
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007950168	0	42	-1.0	-52.73	339.12	4.94	-47.79
CCC(CC)(CNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007950169	0	40	-1.0	-57.30	342.97	5.89	-51.41
CCC(CC)(CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007950170	0	40	-1.0	-48.72	340.98	5.98	-42.74
CCC(CC)(CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007950171	0	44	-1.0	-65.02	366.17	2.50	-62.52
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007950172	0	40	-1.0	-53.32	345.10	5.81	-47.51
CCC(CC)(CNS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007950173	0	40	-1.0	-50.26	331.37	5.86	-44.40
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007950174	0	44	-1.0	-46.18	346.06	4.78	-41.40
CCC(CC)(CNS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007950175	0	41	-1.0	-49.31	347.84	4.55	-44.76
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007950176	0	45	-1.0	-51.17	368.86	4.26	-46.91
CCC(CC)(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007950177	0	40	-1.0	-56.70	346.33	3.59	-53.11
CCC(CC)(CNS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007950178	0	40	-1.0	-52.05	341.87	3.40	-48.65
CCC(CC)(CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007950179	0	48	-1.0	-52.04	375.38	5.82	-46.22
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007950180	0	40	-1.0	-49.82	336.67	3.55	-46.27
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950181	0	48	-1.0	-46.22	355.91	3.17	-43.05
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950182	0	49	-1.0	-55.07	406.47	3.77	-51.30
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007950183	0	41	-1.0	-50.87	325.28	4.88	-45.99
CCC1=CC=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300007950184	0	43	-1.0	-53.04	340.80	6.01	-47.03
CCC(CC)(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007950185	0	45	-1.0	-58.42	381.34	1.31	-57.11
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007950186	0	48	-1.0	-71.09	378.64	4.54	-66.55
CCC1=CC=C(CS(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950187	0	46	-1.0	-60.10	369.02	6.69	-53.41
CCC(CC)(CNS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007950188	0	40	-1.0	-47.22	338.28	5.15	-42.07
CCC(CC)(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007950189	0	46	-1.0	-51.64	383.71	3.06	-48.58
CCC(CC)(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007950190	0	47	-1.0	-56.55	384.02	1.91	-54.64
CCC(CC)(CNS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007950191	0	46	-1.0	-49.41	364.97	6.47	-42.94
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007950192	0	51	-1.0	-49.64	410.98	7.61	-42.03
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007950193	0	41	-1.0	-53.69	349.37	5.17	-48.52
CCC(CC)(CNS(=O)(=O)N(C)C1CCCC1)C(=O)[O-]	REAL300007950194	0	45	-1.0	-54.90	341.06	4.32	-50.58
CCC(CC)(CNS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007950195	0	46	-1.0	-51.40	344.12	2.78	-48.62
CCC(CC)(CNS(=O)(=O)CC1=CC(C)=NO1)C(=O)[O-]	REAL300007950196	0	39	-1.0	-61.64	323.07	3.40	-58.24
CCC(CC)(CNS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007950197	0	51	-1.0	-53.64	415.38	6.48	-47.16
CCC(CC)(CNS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007950198	0	49	-1.0	-49.75	392.27	6.17	-43.58
CCC(CC)(CNS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007950199	0	44	-1.0	-64.98	366.22	-0.72	-65.70
CCC(CC)(CNS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007950200	0	43	-1.0	-50.76	351.68	5.84	-44.92
CCC(CC)(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007950201	0	40	-1.0	-50.53	353.55	6.51	-44.02
CCC(CC)(CNS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007950202	0	43	-1.0	-50.13	365.39	7.37	-42.76
CCC(CC)(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007950203	0	40	-1.0	-52.92	340.67	5.98	-46.94
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007950204	0	43	-1.0	-55.36	360.53	7.42	-47.94
CCC(CC)(CNS(=O)(=O)CCC1CCCO1)C(=O)[O-]	REAL300007950205	0	44	-1.0	-48.57	344.56	3.36	-45.21
CCC(CC)(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007950206	0	43	-1.0	-47.54	361.43	6.51	-41.03
CCC(CC)(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007950207	0	48	-1.0	-48.44	381.57	6.05	-42.39
CCC(CC)(CNS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007950208	0	50	-1.0	-60.20	408.92	6.06	-54.14
CCC(CC)(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007950209	0	48	-1.0	-52.27	400.42	1.78	-50.49
CCC(CC)(CNS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007950210	0	46	-1.0	-48.62	373.85	7.55	-41.07
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007950211	0	48	-1.0	-52.42	372.82	5.24	-47.18
CCC(CC)(CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007950212	0	43	-1.0	-46.22	361.85	6.65	-39.57
CCC(CC)(CNS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007950213	0	42	-1.0	-60.03	335.23	1.49	-58.54
CCC(CC)(CNS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007950214	0	50	-1.0	-53.49	382.66	5.02	-48.47
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007950215	0	44	-1.0	-44.77	363.83	5.19	-39.58
CCC(CC)(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007950216	0	46	-1.0	-69.55	382.36	2.79	-66.76
CCC(CC)(CNS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007950217	0	41	-1.0	-48.68	356.76	6.11	-42.57
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950218	0	49	-1.0	-51.70	376.62	5.03	-46.67
CCC(CC)(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007950219	0	45	-1.0	-51.89	373.53	3.10	-48.79
CCC1=NOC2=NC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C12	REAL300007950220	0	44	-1.0	-46.45	362.78	2.36	-44.09
CCC(CC)(CNS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007950221	0	42	-1.0	-53.89	346.73	3.66	-50.23
CCC1=CC(CC)=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C(CC)=C1	REAL300007950222	0	55	-1.0	-45.77	399.52	9.43	-36.34
CCC(CC)(CNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007950223	0	44	-1.0	-59.78	343.70	4.60	-55.18
CCC(CC)(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007950224	0	43	-1.0	-45.82	370.15	2.72	-43.10
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007950225	0	46	-1.0	-66.65	368.40	8.29	-58.36
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007950226	0	44	-1.0	-51.04	347.11	4.80	-46.24
CCC(CC)(CNS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007950227	0	49	-1.0	-59.15	352.22	6.04	-53.11
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007950228	0	46	-1.0	-48.36	364.85	5.98	-42.38
CCC(CC)(CNS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007950229	0	55	0.0	-70.04	418.01	5.85	-64.19
CCC(CC)(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007950230	0	45	-1.0	-49.77	367.36	5.84	-43.93
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007950231	0	44	-1.0	-45.81	373.34	4.87	-40.94
CCC(CC)(CNS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007950232	0	43	-1.0	-58.38	348.40	5.99	-52.39
CCC(CC)(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007950233	0	49	0.0	-73.23	381.16	6.46	-66.77
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007950234	0	37	-1.0	-43.87	335.36	4.75	-39.12
CCC(CC)(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007950235	0	50	-1.0	-48.86	391.54	7.85	-41.01
CCC(CC)(CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007950236	0	48	-1.0	-58.42	379.79	5.29	-53.13
CCC(CC)(CNS(=O)(=O)CCCC(C)(C)C)C(=O)[O-]	REAL300007950237	0	48	-1.0	-58.99	364.46	5.48	-53.51
CCC(CC)(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007950238	0	46	-1.0	-68.54	363.52	1.71	-66.83
CCC(CC)(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007950239	0	40	-1.0	-50.36	334.09	5.03	-45.33
CCC(CC)(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007950239	1	39	-2.0	-124.19	338.33	4.66	-119.53
CCC(CC)(CNS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007950240	0	42	-1.0	-47.18	349.19	3.94	-43.24
CCC(CC)(CNS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007950241	0	47	-1.0	-45.92	345.09	6.17	-39.75
CCC(CC)(CNS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	REAL300007950242	0	40	-1.0	-58.04	323.21	4.52	-53.52
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007950243	0	49	-1.0	-49.81	386.72	6.25	-43.56
CCC(CC)(CNS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007950244	0	50	-1.0	-57.21	355.34	6.59	-50.62
CCC(CC)(CNS(=O)(=O)CCC1CCOC1)C(=O)[O-]	REAL300007950245	0	44	-1.0	-49.26	342.09	3.05	-46.21
CCC(CC)(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007950246	0	48	-1.0	-65.10	371.16	1.68	-63.42
CCC(CC)(CNS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007950247	0	46	-1.0	-48.54	355.84	5.70	-42.84
CCC(CC)(CNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007950248	0	44	-1.0	-47.86	351.11	6.84	-41.02
CCC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007950249	0	45	-1.0	-45.75	363.64	6.45	-39.30
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007950250	0	37	-1.0	-49.63	314.66	5.09	-44.54
CCC(CC)(CNS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007950251	0	37	-1.0	-49.46	319.22	5.20	-44.26
CCC(CC)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007950252	0	39	-1.0	-51.28	330.60	5.20	-46.08
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007950253	0	43	-1.0	-50.38	348.75	6.83	-43.55
CCC(CC)(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007950254	0	39	-1.0	-52.12	329.77	5.31	-46.81
CCC(CC)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007950255	0	42	-1.0	-42.51	344.08	6.29	-36.22
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007950256	0	41	-1.0	-46.71	329.92	4.02	-42.69
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950257	0	39	-1.0	-61.86	320.19	6.05	-55.81
CCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950258	0	44	-1.0	-47.13	351.76	4.94	-42.19
CCC(CC)(CNS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007950259	0	49	-1.0	-46.58	359.36	7.27	-39.31
CCC(CC)(CNS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007950260	0	46	-1.0	-46.86	349.37	6.85	-40.01
CCC(CC)(CNS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007950261	0	52	-1.0	-45.03	391.20	7.91	-37.12
CCC(CC)(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007950262	0	40	-1.0	-48.98	341.87	5.56	-43.42
CCC(CC)(CNS(=O)(=O)C=CC1=CC=CC=C1)C(=O)[O-]	REAL300007950263	0	41	-1.0	-55.81	334.29	5.71	-50.10
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007950264	0	40	-1.0	-50.74	320.39	6.10	-44.64
CCC(CC)(CNS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007950265	0	37	-1.0	-51.22	314.66	5.09	-46.13
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007950266	0	42	-1.0	-48.97	343.28	4.95	-44.02
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CC=C1C)C(=O)[O-]	REAL300007950267	0	43	-1.0	-45.52	337.27	6.30	-39.22
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007950268	0	43	-1.0	-55.78	340.80	5.73	-50.05
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300007950269	0	43	-1.0	-44.95	335.99	6.11	-38.84
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007950270	0	43	-1.0	-47.37	357.06	5.38	-41.99
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007950271	0	49	-1.0	-48.07	379.01	6.88	-41.19
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007950272	0	46	-1.0	-52.20	358.15	6.50	-45.70
CCC(CC)(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007950273	0	48	-1.0	-52.62	398.30	2.56	-50.06
CCCC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950274	0	46	-1.0	-54.90	366.77	6.75	-48.15
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300007950275	0	41	-1.0	-51.79	323.32	4.39	-47.40
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007950276	0	41	-1.0	-49.00	351.46	4.61	-44.39
CCC(CC)(CNS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007950277	0	40	-1.0	-46.13	342.30	5.74	-40.39
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007950278	0	51	-1.0	-47.14	409.56	8.20	-38.94
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007950279	0	41	-1.0	-46.21	348.80	4.35	-41.86
CCC(CC)(CNS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007950280	0	52	-1.0	-49.51	376.66	7.58	-41.93
CCC(CC)(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007950281	0	46	-1.0	-53.10	360.75	4.51	-48.59
CCC(CC)(CNS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007950282	0	53	-1.0	-51.93	399.43	6.69	-45.24
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007950283	0	42	-1.0	-55.92	346.61	5.73	-50.19
CCC(CC)(CNS(=O)(=O)C1=C(C)NN=C1C)C(=O)[O-]	REAL300007950284	0	40	-1.0	-52.99	318.58	2.36	-50.63
CCC(CC)(CNS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007950285	0	41	-1.0	-50.09	344.61	5.01	-45.08
CCC(CC)(CNS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007950286	0	55	-1.0	-47.33	403.90	8.46	-38.87
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007950287	0	40	-1.0	-43.99	339.16	5.71	-38.28
CCC(CC)(CNS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007950288	0	47	-1.0	-52.95	360.63	7.07	-45.88
CCC(CC)(CNS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007950289	0	45	-1.0	-53.36	352.78	3.67	-49.69
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007950290	0	45	-1.0	-52.90	356.65	3.78	-49.12
CCC(CC)(CNS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007950291	0	44	-1.0	-48.34	347.09	6.54	-41.80
CCC(CC)(CNS(=O)(=O)C1=C(C)ON=C1C)C(=O)[O-]	REAL300007950292	0	39	-1.0	-47.52	311.10	3.54	-43.98
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007950293	0	45	-1.0	-48.85	357.27	6.96	-41.89
CCC(CC)(CNS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007950294	0	42	-1.0	-48.62	338.71	4.42	-44.20
CCC(CC)(CNS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007950295	0	52	-1.0	-54.82	405.84	8.04	-46.78
CCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1OCC	REAL300007950296	0	51	-1.0	-52.49	400.36	5.62	-46.87
CCC(CC)(CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007950297	0	42	-1.0	-58.28	356.62	-0.51	-58.79
CCC(CC)(CNS(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007950298	0	45	-1.0	-55.01	366.79	6.38	-48.63
CCC(CC)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007950299	0	45	-1.0	-42.29	360.58	6.81	-35.48
CCC(CC)(CNS(=O)(=O)N1CCCCCC1)C(=O)[O-]	REAL300007950300	0	45	-1.0	-45.33	333.08	4.80	-40.53
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007950301	0	45	-1.0	-61.88	351.48	6.34	-55.54
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950302	0	43	-1.0	-60.44	349.24	5.33	-55.11
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007950303	0	41	-1.0	-48.41	340.04	4.91	-43.50
CCC(CC)(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007950304	0	42	-1.0	-56.90	357.04	-0.49	-57.39
CCC(CC)(CNS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007950305	0	45	-1.0	-55.33	365.71	6.16	-49.17
CCC(CC)(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007950306	0	46	-1.0	-48.52	355.44	5.71	-42.81
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007950307	0	45	-1.0	-49.47	357.98	5.92	-43.55
CCC(CC)(CNS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950308	0	45	-1.0	-60.56	359.37	7.28	-53.28
CCC(CC)(CNS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	REAL300007950309	0	45	-1.0	-54.33	339.45	4.23	-50.10
CCC(CC)(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007950310	0	48	-1.0	-56.06	397.15	2.64	-53.42
CCC(CC)(CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007950311	0	49	-1.0	-63.91	388.33	3.87	-60.04
CCC(CC)(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007950312	0	43	-1.0	-59.81	363.50	2.08	-57.73
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007950313	0	47	-1.0	-54.18	352.93	7.66	-46.52
CCC(CC)(CNS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300007950314	0	48	-1.0	-54.28	350.10	4.92	-49.36
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007950315	0	43	-1.0	-53.28	343.83	6.91	-46.37
CCC(CC)(CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007950316	0	47	-1.0	-55.45	376.57	7.95	-47.50
CCC(CC)(CNS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007950317	0	40	-1.0	-44.84	323.96	5.52	-39.32
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007950318	0	51	-1.0	-56.02	396.81	6.75	-49.27
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007950319	0	38	-1.0	-60.27	320.72	2.94	-57.33
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007950320	0	41	-1.0	-50.17	340.05	4.91	-45.26
CCC(CC)(CNS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300007950321	0	41	-1.0	-50.83	331.05	3.93	-46.90
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950322	0	52	-1.0	-54.43	392.81	7.32	-47.11
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007950323	0	40	-1.0	-54.06	337.85	5.64	-48.42
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007950324	0	47	-1.0	-48.42	372.07	5.40	-43.02
CCC1=CC=CC=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950325	0	43	-1.0	-56.35	333.88	6.31	-50.04
CCC(CC)(CNS(=O)(=O)C1=CN(C)C(C)=N1)C(=O)[O-]	REAL300007950326	0	40	-1.0	-61.64	325.91	3.41	-58.23
CCC(CC)(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007950327	0	40	-1.0	-60.14	342.87	5.76	-54.38
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007950328	0	38	-1.0	-50.17	312.37	3.36	-46.81
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950329	0	42	-1.0	-56.21	358.64	7.02	-49.19
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007950330	0	42	-1.0	-62.37	330.13	5.71	-56.66
CCC(CC)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007950331	0	43	-1.0	-47.37	351.54	5.06	-42.31
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007950332	0	41	-1.0	-51.92	333.63	3.95	-47.97
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007950333	0	40	-1.0	-51.83	324.64	5.28	-46.55
CCC(CC)(CNS(=O)(=O)CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007950334	0	43	-1.0	-60.32	347.54	5.92	-54.40
CCC(CC)(CNS(=O)(=O)N1CCCCC1C)C(=O)[O-]	REAL300007950335	0	45	-1.0	-53.10	328.32	4.66	-48.44
CCCN(CCC)S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950336	0	47	-1.0	-45.01	359.14	5.01	-40.00
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007950337	0	53	-1.0	-53.98	406.98	7.84	-46.14
CCC(CC)(CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007950338	0	40	-1.0	-56.71	353.60	6.25	-50.46
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007950339	0	47	-1.0	-54.62	367.28	6.28	-48.34
CCC(CC)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007950340	0	42	-1.0	-48.30	340.89	6.14	-42.16
CCC(CC)(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007950341	0	42	-1.0	-53.70	340.44	5.86	-47.84
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950342	0	45	-1.0	-58.06	362.27	6.99	-51.07
CCC(CC)(CNS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007950343	0	49	-1.0	-48.05	383.95	7.24	-40.81
CCC(CC)(CNS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007950344	0	47	-1.0	-55.17	378.94	5.04	-50.13
CCC(CC)(CNS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300007950345	0	49	-1.0	-48.43	383.82	2.63	-45.80
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007950346	0	40	-1.0	-42.68	332.58	6.14	-36.54
CCC(CC)(CNS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007950347	0	47	-1.0	-48.13	375.12	5.52	-42.61
CCC(CC)(CNS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007950348	0	53	-1.0	-45.99	412.34	7.05	-38.94
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007950349	0	51	-1.0	-53.91	397.03	6.75	-47.16
CCC(CC)(CNS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007950350	0	50	-1.0	-51.67	390.88	6.30	-45.37
CCCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950351	0	47	-1.0	-47.73	375.66	5.58	-42.15
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007950352	0	41	-1.0	-48.99	347.07	4.49	-44.50
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007950353	0	41	-1.0	-53.90	357.67	4.66	-49.24
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007950354	0	44	-1.0	-47.67	351.12	4.68	-42.99
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007950355	0	50	-1.0	-54.49	391.74	6.13	-48.36
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007950356	0	44	-1.0	-55.03	346.58	4.73	-50.30
CCC(CC)(CNS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007950357	0	48	-1.0	-50.61	387.77	4.05	-46.56
CCC(CC)(CNS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007950358	0	40	-1.0	-50.98	329.48	5.46	-45.52
CCC(CC)(CNS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007950359	0	40	-1.0	-52.15	338.39	6.05	-46.10
CCC(CC)(CNS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007950360	0	45	-1.0	-62.75	353.57	7.28	-55.47
CCC(CC)(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007950361	0	46	-1.0	-51.96	376.57	3.14	-48.82
CCC(CC)(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300007950362	0	45	-1.0	-57.30	378.99	0.70	-56.60
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300007950363	0	45	-1.0	-60.74	325.30	2.14	-58.60
CCC(CC)(CNS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300007950364	0	39	-1.0	-47.68	328.04	3.13	-44.55
CCC(CC)(CNS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007950365	0	40	-1.0	-55.11	328.36	5.43	-49.68
CCC(CC)(CNS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007950366	0	41	-1.0	-49.76	333.65	3.95	-45.81
CCC(CC)(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007950367	0	47	-1.0	-49.80	377.00	7.97	-41.83
CCC(CC)(CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007950368	0	40	-1.0	-44.66	357.64	6.43	-38.23
CCC(CC)(CNS(=O)(=O)CC1CCCCC1)C(=O)[O-]	REAL300007950369	0	46	-1.0	-46.85	345.50	5.67	-41.18
CCC(CC)(CNS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007950370	0	43	-1.0	-49.64	382.25	5.11	-44.53
CCC(CC)(CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007950371	0	57	-1.0	-53.90	436.95	8.15	-45.75
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300007950372	0	45	-1.0	-56.86	356.35	6.33	-50.53
CCC(CC)(CNS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300007950373	0	45	-1.0	-57.16	366.27	2.18	-54.98
CCC(CC)(CNS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007950374	0	47	-1.0	-48.09	358.35	5.34	-42.75
CCC(CC)(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007950375	0	48	-1.0	-55.44	386.59	8.65	-46.79
CCC(CC)(CNS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007950376	0	47	-1.0	-52.65	363.04	5.39	-47.26
CCC(CC)(CNS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007950377	0	45	-1.0	-50.18	348.73	5.75	-44.43
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007950378	0	42	-1.0	-56.30	334.24	5.13	-51.17
CCC(CC)(CNS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007950379	0	50	-1.0	-55.93	397.73	8.41	-47.52
CCN1C=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007950380	0	42	-1.0	-59.81	351.83	5.58	-54.23
CCN1C=C(S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007950380	1	41	-2.0	-136.64	352.48	5.08	-131.56
CCC(CC)(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007950381	0	44	-1.0	-55.97	373.30	5.22	-50.75
CCC(CC)(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007950382	0	51	-1.0	-49.65	414.05	7.83	-41.82
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300007950383	0	45	-1.0	-60.35	361.01	5.84	-54.51
CCC(CC)(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007950384	0	47	-1.0	-52.56	388.78	6.11	-46.45
CCC(CC)(CNS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007950385	0	40	-1.0	-69.97	330.57	3.73	-66.24
CCC(CC)(CNS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300007950386	0	59	-1.0	-55.42	437.00	7.36	-48.06
CCC(CC)(CNS(=O)(=O)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300007950387	0	43	-1.0	-60.27	347.54	5.91	-54.36
CCC(CC)(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007950388	0	45	-1.0	-55.78	379.88	1.18	-54.60
CCC(CC)(CNS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007950389	0	40	-1.0	-57.94	328.08	5.35	-52.59
CCC(CC)(CNS(=O)(=O)CC1=CC=CC=C1C)C(=O)[O-]	REAL300007950390	0	43	-1.0	-47.00	339.84	6.01	-40.99
CCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C2=CC=CC=C12	REAL300007950391	0	50	-1.0	-54.03	389.14	7.21	-46.82
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950392	0	47	-1.0	-51.40	364.30	6.05	-45.35
CCC(CC)(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007950393	0	42	-1.0	-63.30	346.20	4.75	-58.55
CCC(CC)(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007950394	0	44	-1.0	-50.58	363.36	5.67	-44.91
CCOCCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950395	0	51	-1.0	-56.63	409.21	4.99	-51.64
CCCCCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950396	0	53	-1.0	-46.06	416.27	7.31	-38.75
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007950397	0	47	-1.0	-53.86	353.58	7.26	-46.60
CCC(CC)(CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007950398	0	43	-1.0	-52.17	351.25	6.37	-45.80
CCC(CC)(CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007950399	0	41	-1.0	-45.36	356.81	6.18	-39.18
CCC(CC)(CNS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007950400	0	42	-1.0	-48.63	337.51	3.93	-44.70
CCC(CC)(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007950401	0	45	-1.0	-56.31	364.07	5.97	-50.34
CCC(CC)(CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007950402	0	43	-1.0	-64.38	341.87	1.01	-63.37
CCC(CC)(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007950403	0	42	-1.0	-56.00	346.18	4.75	-51.25
CCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C(C)=C1	REAL300007950404	0	47	-1.0	-54.63	368.43	5.65	-48.98
CCC(CC)(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300007950405	0	45	-1.0	-52.42	379.42	0.72	-51.70
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007950406	0	41	-1.0	-51.79	333.08	4.66	-47.13
CCC(CC)(CNS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007950407	0	41	-1.0	-46.27	340.62	5.74	-40.53
CCCCCCCS(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950408	0	48	-1.0	-45.23	371.75	6.31	-38.92
CCC(CC)(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007950409	0	43	-1.0	-61.14	365.20	6.27	-54.87
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950410	0	48	-1.0	-58.46	372.30	6.32	-52.14
CCN1C=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])N=C1C	REAL300007950411	0	43	-1.0	-57.90	348.34	4.34	-53.56
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007950412	0	43	-1.0	-52.13	337.24	4.11	-48.02
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007950413	0	42	-1.0	-53.15	334.08	5.03	-48.12
CCC(CC)(CNS(=O)(=O)CC1CCCCO1)C(=O)[O-]	REAL300007950414	0	44	-1.0	-48.35	340.73	3.59	-44.76
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007950415	0	43	-1.0	-46.11	357.22	6.08	-40.03
CCC(CC)(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007950416	0	43	-1.0	-47.79	375.63	5.29	-42.50
CCC(CC)(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007950417	0	46	-1.0	-47.68	366.36	6.23	-41.45
CCC(CC)(CNS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007950418	0	45	-1.0	-50.91	369.11	4.28	-46.63
CCC(CC)(CNS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007950419	0	44	-1.0	-48.68	369.07	5.31	-43.37
CCC(CC)(CNS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300007950420	0	44	-1.0	-56.94	357.45	4.25	-52.69
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007950421	0	48	-1.0	-59.41	369.16	5.85	-53.56
CCN1C=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=N1	REAL300007950422	0	40	-1.0	-55.44	328.46	3.09	-52.35
CCC(CC)(CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007950423	0	40	-1.0	-56.96	335.25	5.72	-51.24
CCC(CC)(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007950424	0	44	-1.0	-56.87	367.67	5.07	-51.80
CCC(CC)(CNS(=O)(=O)N(C)C(C)C1CC1)C(=O)[O-]	REAL300007950425	0	45	-1.0	-52.33	340.45	4.53	-47.80
CCC(CC)(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007950426	0	45	-1.0	-56.89	359.76	5.22	-51.67
CCC(CC)(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007950427	0	40	-1.0	-49.71	353.46	6.16	-43.55
CCC(CC)(CNS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007950428	0	45	-1.0	-51.82	354.97	5.18	-46.64
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950429	0	49	-1.0	-47.57	359.75	7.71	-39.86
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007950430	0	49	-1.0	-49.31	390.74	3.56	-45.75
CCC(CC)(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007950431	0	43	-1.0	-54.14	367.97	5.30	-48.84
CCC(CC)(CNS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007950432	0	46	-1.0	-54.20	379.20	3.63	-50.57
CCC(CC)(CNS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007950433	0	40	-1.0	-53.41	336.87	3.52	-49.89
CCC(CC)(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007950433	1	39	-2.0	-123.10	337.48	3.17	-119.93
CCC(CC)(CNS(=O)(=O)C1=C(C)OC(C)=C1)C(=O)[O-]	REAL300007950434	0	40	-1.0	-45.18	325.83	4.15	-41.03
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CS1)C(=O)[O-]	REAL300007950435	0	37	-1.0	-46.38	315.11	4.30	-42.08
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007950436	0	40	-1.0	-50.02	332.56	4.94	-45.08
CCC(CC)(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007950436	1	39	-2.0	-130.07	330.01	4.75	-125.32
CCC(CC)(CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007950437	0	40	-1.0	-50.36	328.84	3.21	-47.15
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300007950438	0	40	-1.0	-46.82	329.98	1.24	-45.58
CCC(CC)(CNS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300007950439	0	41	-1.0	-58.72	324.39	3.74	-54.98
CCC(CC)(CNS(=O)(=O)C1=C(C)C=CS1)C(=O)[O-]	REAL300007950440	0	37	-1.0	-53.70	303.53	4.05	-49.65
CCC(CC)(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007950441	0	45	-1.0	-48.87	356.50	5.18	-43.69
CCC(CC)(CNS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007950442	0	44	-1.0	-55.93	336.97	6.13	-49.80
CCC(CC)(CNS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007950443	0	47	-1.0	-54.63	384.35	6.32	-48.31
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007950444	0	45	-1.0	-49.63	376.58	5.67	-43.96
CCC(CC)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007950445	0	42	-1.0	-44.81	345.71	5.81	-39.00
CCC(CC)(CNS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007950446	0	48	-1.0	-52.76	389.29	5.39	-47.37
CCC(CC)(CNS(=O)(=O)C1=CN(C)N=C1C)C(=O)[O-]	REAL300007950447	0	40	-1.0	-55.17	325.75	2.86	-52.31
CCC(CC)(CNS(=O)(=O)C1=C(C)C=NN1C)C(=O)[O-]	REAL300007950448	0	40	-1.0	-47.52	319.70	3.01	-44.51
CCC(CC)(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007950449	0	39	-1.0	-51.08	329.92	4.05	-47.03
CCC(CC)(CNS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007950450	0	45	-1.0	-56.59	353.48	4.92	-51.67
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007950451	0	46	-1.0	-53.24	365.21	7.51	-45.73
CCC(CC)(CNS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300007950452	0	38	-1.0	-51.86	321.85	3.67	-48.19
CCC(CC)(CNS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007950453	0	45	-1.0	-48.55	349.50	5.08	-43.47
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007950454	0	42	-1.0	-52.72	332.45	4.40	-48.32
CCC(CC)(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007950455	0	42	-1.0	-60.59	345.02	4.63	-55.96
CCC(CC)(CNS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007950456	0	42	-1.0	-56.79	338.19	4.37	-52.42
CCC(CC)(CNS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007950457	0	43	-1.0	-58.16	364.37	6.56	-51.60
CCC(CC)(CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007950458	0	49	-1.0	-53.61	372.13	5.13	-48.48
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007950459	0	39	-1.0	-45.06	337.53	3.78	-41.28
CCC(CC)(CNS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007950460	0	45	-1.0	-61.35	351.91	5.09	-56.26
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007950461	0	45	-1.0	-52.08	361.41	6.59	-45.49
CCC(CC)(CNS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950462	0	45	-1.0	-64.07	358.55	7.51	-56.56
CCC(CC)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007950463	0	45	-1.0	-56.17	356.62	6.65	-49.52
CCC(CC)(CNS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007950464	0	47	-1.0	-49.48	377.56	5.36	-44.12
CCC(CC)(CNS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300007950465	0	40	-1.0	-47.88	326.12	2.10	-45.78
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007950466	0	46	-1.0	-52.22	370.91	6.22	-46.00
CCC(CC)(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007950467	0	44	-1.0	-52.20	347.14	6.68	-45.52
CCC(CC)(CNS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007950468	0	45	-1.0	-56.61	361.36	3.14	-53.47
CCC(CC)(CNS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007950469	0	49	-1.0	-46.92	368.83	6.22	-40.70
CCC(CC)(CNS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007950470	0	46	-1.0	-48.14	369.46	6.73	-41.41
CCC(CC)(CNS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007950471	0	43	-1.0	-45.82	343.49	4.12	-41.70
CCC(CC)(CNS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007950472	0	40	-1.0	-52.90	324.88	4.75	-48.15
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007950473	0	41	-1.0	-49.54	343.46	4.43	-45.11
CCC(CC)(CNS(=O)(=O)CCC1CCCC1)C(=O)[O-]	REAL300007950474	0	46	-1.0	-58.69	352.84	5.65	-53.04
CCC(CC)(CNS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007950475	0	43	-1.0	-61.02	350.65	5.87	-55.15
CCC(CC)(CNS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007950476	0	45	-1.0	-60.23	351.20	6.08	-54.15
CCC(CC)(CNS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300007950477	0	42	-1.0	-50.46	345.19	2.29	-48.17
CCC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1CC	REAL300007950478	0	49	-1.0	-55.20	379.45	7.09	-48.11
CCC(CC)(CNS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007950479	0	45	-1.0	-48.77	353.29	6.56	-42.21
CCC(CC)(CNS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007950480	0	47	-1.0	-56.31	356.89	6.14	-50.17
CCC(CC)(CNS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300007950481	0	40	-1.0	-55.20	335.34	4.92	-50.28
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007950482	0	38	-1.0	-50.74	324.59	2.41	-48.33
CCC(CC)(CNS(=O)(=O)C1=CN=C(C)S1)C(=O)[O-]	REAL300007950483	0	36	-1.0	-50.98	306.46	2.40	-48.58
CCC1=NC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300007950484	0	39	-1.0	-53.06	332.40	3.12	-49.94
CCC(CC)(CNS(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007950485	0	38	-1.0	-48.35	309.25	1.96	-46.39
CCC(CC)(C[N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007950485	1	37	-2.0	-111.22	306.68	1.77	-109.45
CCC(CC)(CNS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007950486	0	44	-1.0	-55.48	351.16	4.35	-51.13
CCC(CC)(CNS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300007950487	0	40	-1.0	-45.32	328.18	5.29	-40.03
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007950488	0	43	-1.0	-64.11	327.79	5.72	-58.39
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007950489	0	40	-1.0	-59.38	322.72	3.10	-56.28
CCC(CC)(CNS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007950490	0	43	-1.0	-49.47	344.94	5.91	-43.56
CCC(CC)(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007950491	0	44	-1.0	-49.87	357.54	4.39	-45.48
CCC(CC)(CNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007950492	0	50	-1.0	-62.50	403.16	6.09	-56.41
CCC(CC)(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007950493	0	41	-1.0	-59.98	339.95	4.68	-55.30
CCC(CC)(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007950494	0	39	-1.0	-54.08	327.13	4.32	-49.76
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)N=C1)C(=O)[O-]	REAL300007950495	0	39	-1.0	-46.83	318.16	3.46	-43.37
CCC(CC)(CNS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300007950496	0	39	-1.0	-62.34	332.72	2.93	-59.41
CCC(CC)(CNS(=O)(=O)CC(OC)C1CC1)C(=O)[O-]	REAL300007950497	0	44	-1.0	-45.69	343.77	4.08	-41.61
CCC(CC)(CNS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007950498	0	40	-1.0	-45.57	340.90	5.94	-39.63
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007950499	0	40	-1.0	-46.13	338.27	5.65	-40.48
CCC(CC)(CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007950500	0	43	-1.0	-62.56	350.49	5.52	-57.04
CCC(CC)(CNS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007950501	0	46	-1.0	-47.10	386.65	6.19	-40.91
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007950502	0	45	-1.0	-61.05	345.74	5.72	-55.33
CCC(CC)(CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007950503	0	44	-1.0	-53.96	367.91	2.41	-51.55
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007950504	0	46	-1.0	-57.00	364.15	4.88	-52.12
CCC(CC)(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007950505	0	40	-1.0	-46.02	344.04	5.93	-40.09
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300007950506	0	50	-1.0	-56.34	392.41	6.19	-50.15
CCC(CC)(CNS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007950507	0	50	-1.0	-47.44	378.24	5.12	-42.32
CCC(CC)(CNS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007950508	0	53	-1.0	-49.14	394.49	5.58	-43.56
CCC(CC)(CNS(=O)(=O)C1COC(C)(C)C1)C(=O)[O-]	REAL300007950509	0	44	-1.0	-46.79	335.55	2.88	-43.91
CCOC(CS(=O)(=O)NCC(CC)(CC)C(=O)[O-])C1CC1	REAL300007950510	0	47	-1.0	-45.94	366.58	5.01	-40.93
CCCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1C(C)C	REAL300007950511	0	56	-1.0	-47.82	434.26	7.60	-40.22
CCC1=NC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=CN1CC1CC1	REAL300007950512	0	50	-1.0	-55.31	393.64	6.57	-48.74
CCC(CC)(CNS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007950513	0	40	-1.0	-50.66	337.66	4.08	-46.58
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007950514	0	45	-1.0	-53.37	365.50	7.01	-46.36
CCC(CC)(CNS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007950515	0	44	-1.0	-51.62	348.95	4.41	-47.21
CCC(CC)(CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007950516	0	50	-1.0	-52.40	403.35	6.86	-45.54
CCC(CC)(CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007950517	0	40	-1.0	-48.28	344.00	3.15	-45.13
CCC(CC)(CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007950518	0	48	-1.0	-53.69	398.55	8.67	-45.02
CCC(CC)(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007950519	0	47	-1.0	-57.05	364.02	7.98	-49.07
CCC1=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C(C)C=C1OC	REAL300007950520	0	50	-1.0	-53.24	383.78	6.24	-47.00
CCC(CC)(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950521	0	38	-2.0	-139.41	330.51	3.10	-136.31
CCC(CC)(CNS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950521	1	39	-1.0	-56.85	328.65	3.63	-53.22
CCC(CC)(CNS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007950522	0	46	-1.0	-51.23	353.52	7.61	-43.62
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007950523	0	46	-1.0	-49.69	367.08	3.13	-46.56
CCC(CC)(CNS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007950524	0	41	-1.0	-53.86	327.05	4.66	-49.20
CCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1C(C)C	REAL300007950525	0	53	-1.0	-54.52	412.35	6.78	-47.74
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007950526	0	49	-1.0	-45.19	379.77	6.89	-38.30
CCC(CC)(CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007950527	0	56	-1.0	-59.70	427.99	9.06	-50.64
CCC(CC)(CNS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007950528	0	47	-1.0	-49.16	356.89	4.61	-44.55
CCC(CC)(CNS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007950529	0	49	-1.0	-58.85	371.17	4.76	-54.09
CCC(CC)(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007950530	0	47	-1.0	-54.32	369.78	4.88	-49.44
CCC(CC)(CNS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007950531	0	40	-1.0	-43.00	327.82	3.22	-39.78
CCC(CC)(CNS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007950532	0	44	-1.0	-50.70	361.13	4.71	-45.99
C=CCCC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300007950533	0	47	-1.0	-54.94	379.58	7.31	-47.63
CCC1=NN(C)C=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950534	0	43	-1.0	-54.95	344.31	3.63	-51.32
CCCCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1C(C)C	REAL300007950535	0	59	-1.0	-47.96	454.51	8.48	-39.48
CCC(CC)(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007950536	0	41	-1.0	-45.59	349.05	6.42	-39.17
CCCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1C(C)(C)C	REAL300007950537	0	59	-1.0	-47.89	446.81	8.27	-39.62
CCCOC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C=C1CC	REAL300007950538	0	53	-1.0	-47.90	416.10	7.15	-40.75
CCC(CC)(CNS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007950539	0	43	-1.0	-44.59	344.43	6.63	-37.96
CCC(CC)(CNS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007950540	0	43	-1.0	-44.95	361.26	6.62	-38.33
CCC(CC)(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007950541	0	41	-1.0	-54.43	344.06	6.18	-48.25
CCCC1=CC=CC=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950542	0	46	-1.0	-56.39	355.42	7.11	-49.28
CCC(CC)(CNS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007950543	0	40	-1.0	-50.44	319.82	1.85	-48.59
CCC(CC)(CNS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007950544	0	53	-1.0	-55.27	417.94	7.33	-47.94
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007950545	0	42	-1.0	-57.15	334.08	5.12	-52.03
CCC(CC)(CNS(=O)(=O)C1=CN=C(C)N1C)C(=O)[O-]	REAL300007950546	0	40	-1.0	-48.73	321.95	3.60	-45.13
CCC(CC)(CNS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007950547	0	40	-1.0	-45.50	324.47	5.41	-40.09
CCC(CC)(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007950548	0	44	-1.0	-47.87	351.44	4.32	-43.55
CCC(CC)(CNS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007950549	0	44	-1.0	-52.07	340.28	4.18	-47.89
CCC(CC)(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007950550	0	47	-1.0	-45.01	358.82	5.05	-39.96
CCC(CC)(CNS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007950551	0	48	-1.0	-56.91	368.83	2.63	-54.28
CCC(CC)(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007950552	0	43	-1.0	-48.68	368.40	5.54	-43.14
CCC(CC)(CNS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007950553	0	44	-1.0	-51.37	342.50	4.59	-46.78
CCC(CC)(CNS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007950554	0	53	-1.0	-47.27	406.33	6.69	-40.58
CCC(CC)(CNS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007950555	0	47	-1.0	-47.82	363.44	6.07	-41.75
CCC(CC)(CNS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007950556	0	45	-1.0	-59.82	342.64	5.01	-54.81
CCC(CC)(CNS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007950557	0	45	-1.0	-50.50	366.58	4.24	-46.26
CCC(CC)(CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007950558	0	43	-1.0	-56.09	351.59	5.20	-50.89
CCC(CC)(CNS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007950559	0	42	-1.0	-64.53	343.07	4.14	-60.39
CCN1N=NC=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950560	0	39	-1.0	-46.88	311.83	1.91	-44.97
CCC(CC)(CNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300007950561	0	46	-1.0	-55.33	348.16	4.50	-50.83
CCC(CC)(CNS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007950562	0	38	-1.0	-43.13	316.43	3.42	-39.71
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007950563	0	40	-1.0	-55.63	341.23	5.96	-49.67
CCC(CC)(CNS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007950564	0	44	-1.0	-48.34	353.72	4.32	-44.02
CCC(CC)(CNS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007950565	0	46	-1.0	-52.17	350.52	6.57	-45.60
CCC(CC)(CNS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007950566	0	45	-1.0	-53.80	345.57	4.38	-49.42
CCC(CC)(CNS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007950567	0	40	-1.0	-50.66	325.75	4.51	-46.15
CCC(CC)(CNS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007950568	0	50	-1.0	-48.42	371.64	4.85	-43.57
CCC(CC)(CNS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007950569	0	49	-1.0	-51.86	377.09	5.18	-46.68
CCCCN1C=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C(C)=N1	REAL300007950570	0	49	-1.0	-51.81	388.11	5.25	-46.56
CCC(CC)(CNS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007950571	0	44	-1.0	-54.65	341.55	3.95	-50.70
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007950572	0	41	-1.0	-53.45	337.16	4.15	-49.30
CCC(CC)(CNS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007950573	0	42	-1.0	-64.91	336.25	3.00	-61.91
CCC(CC)(CNS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007950574	0	43	-1.0	-43.04	355.34	6.81	-36.23
CCC(CC)(CNS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007950575	0	48	-1.0	-53.27	352.43	4.96	-48.31
CCC(CC)(CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007950576	0	43	-1.0	-46.85	371.01	5.69	-41.16
CCC(CC)(CNS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007950577	0	47	-1.0	-54.14	354.15	4.34	-49.80
CCC(CC)(CNS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007950578	0	55	-1.0	-57.42	412.57	8.43	-48.99
CCC(CC)(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007950579	0	47	-1.0	-52.45	371.89	5.21	-47.24
CCC(CC)(CNS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007950580	0	41	-1.0	-48.30	333.13	5.61	-42.69
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007950581	0	48	-1.0	-49.98	392.56	7.38	-42.60
CCC(CC)(CNS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007950582	0	46	-1.0	-61.56	368.23	5.77	-55.79
CCCC1=CC=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300007950583	0	46	-1.0	-55.51	366.77	6.74	-48.77
CCC(CC)(CNS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007950584	0	44	-1.0	-52.57	347.08	4.09	-48.48
CCC(CC)(CNS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)C(=O)[O-]	REAL300007950585	0	43	-1.0	-47.82	330.95	3.97	-43.85
CCC(CC)(CNS(=O)(=O)C1=C(C)C=CC=C1C)C(=O)[O-]	REAL300007950586	0	43	-1.0	-51.31	324.61	6.09	-45.22
CCC(CC)(CNS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007950587	0	46	-1.0	-45.12	346.36	4.37	-40.75
CCC(CC)(CNS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007950588	0	46	-1.0	-51.43	367.28	4.26	-47.17
CCC(CC)(CNS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007950589	0	44	-1.0	-50.44	352.24	3.61	-46.83
CCC(CC)(CNS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007950590	0	42	-1.0	-47.42	353.71	4.37	-43.05
CCC(CC)(CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007950591	0	40	-1.0	-50.43	347.53	5.60	-44.83
CCC(CC)(CNS(=O)(=O)C1=CC(C)=NN1C)C(=O)[O-]	REAL300007950592	0	40	-1.0	-47.62	324.98	2.77	-44.85
CCC(CC)(CNS(=O)(=O)C1=CC=CC(C)=C1C)C(=O)[O-]	REAL300007950593	0	43	-1.0	-45.28	332.50	6.03	-39.25
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300007950594	0	48	-1.0	-57.57	386.13	6.67	-50.90
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007950595	0	48	-1.0	-47.11	369.09	7.79	-39.32
CCC(CC)(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007950596	0	43	-1.0	-45.29	362.83	5.76	-39.53
CCC(CC)(CNS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007950597	0	43	-1.0	-51.38	340.36	5.02	-46.36
CCC(CC)(CNS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007950598	0	44	-1.0	-61.92	355.43	2.88	-59.04
CCC(CC)(CNS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007950599	0	37	-1.0	-53.18	316.75	4.95	-48.23
CCC(CC)(CNS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007950600	0	44	-1.0	-55.31	351.58	6.64	-48.67
CCC(CC)(CNS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300007950601	0	38	-1.0	-55.58	313.72	3.09	-52.49
CCC(CC)(CNS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007950602	0	47	-1.0	-49.11	361.41	4.92	-44.19
CCC(C)N1N=CC=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950603	0	46	-1.0	-47.27	362.74	4.44	-42.83
CCC1=CC=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])O1	REAL300007950604	0	40	-1.0	-55.01	328.46	4.13	-50.88
CCC(CC)(CNS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007950605	0	51	-1.0	-55.60	373.02	5.54	-50.06
CCC(CC)(CNS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007950606	0	51	-1.0	-53.30	394.00	3.61	-49.69
CCC(CC)(CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007950607	0	43	-1.0	-50.48	354.76	6.17	-44.31
CCC(CC)(CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007950608	0	41	-1.0	-49.87	340.80	4.22	-45.65
CCC(CC)(CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007950609	0	52	-1.0	-45.42	395.92	7.39	-38.03
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300007950610	0	38	-1.0	-46.38	325.33	3.09	-43.29
CCC(CC)(CNS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007950611	0	48	-1.0	-65.29	373.83	6.89	-58.40
CCC(CC)(CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007950612	0	45	-1.0	-49.24	356.41	4.55	-44.69
CCC(CC)(CNS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007950613	0	40	-1.0	-52.27	330.58	3.27	-49.00
CCOCC1=CC=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300007950614	0	47	-1.0	-49.29	378.47	5.32	-43.97
CCC(CC)(CNS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007950615	0	47	-1.0	-49.23	377.60	5.76	-43.47
CCC(CC)(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007950616	0	50	-1.0	-47.46	387.94	5.58	-41.88
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007950617	0	48	-1.0	-51.44	386.61	7.42	-44.02
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007950618	0	40	-1.0	-47.06	321.78	5.76	-41.30
CCC(CC)(CNS(=O)(=O)C1=CN=CC(C)=C1)C(=O)[O-]	REAL300007950619	0	39	-1.0	-53.91	318.82	3.38	-50.53
CCC(CC)(CNS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007950620	0	43	-1.0	-49.67	355.61	6.32	-43.35
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007950621	0	46	-1.0	-50.76	359.68	7.62	-43.14
CCC(CC)(CNS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007950622	0	47	-1.0	-54.37	365.20	5.48	-48.89
CCC(CC)(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007950623	0	41	-1.0	-46.93	341.11	5.80	-41.13
CCC(CC)(CNS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007950624	0	41	-1.0	-45.55	353.61	6.51	-39.04
CCC(CC)(CNS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007950625	0	41	-1.0	-52.07	351.11	6.38	-45.69
CCC(CC)(CNS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007950626	0	42	-1.0	-67.59	345.57	-1.52	-69.11
CCC(CC)(CNS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300007950627	0	40	-1.0	-55.93	327.94	4.77	-51.16
CCC(CC)(CNS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007950628	0	43	-1.0	-47.89	339.44	5.06	-42.83
CCC(CC)(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007950629	0	39	-1.0	-52.32	333.75	3.95	-48.37
CCC(CC)(CNS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007950630	0	45	-1.0	-48.38	355.24	1.90	-46.48
CCC(CC)(CNS(=O)(=O)CC1COCCO1)C(=O)[O-]	REAL300007950631	0	42	-1.0	-60.03	326.27	1.94	-58.09
CCC(CC)(CNS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007950632	0	46	-1.0	-52.62	376.67	3.75	-48.87
CCC(CC)(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007950632	1	45	-2.0	-140.01	378.21	3.17	-136.84
CCC(CC)(CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007950633	0	54	-1.0	-47.64	379.80	7.44	-40.20
CCC(CC)(CNS(=O)(=O)CCN1C=NN=N1)C(=O)[O-]	REAL300007950634	0	38	-1.0	-61.63	317.16	2.41	-59.22
CCC(CC)(CNS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007950635	0	47	-1.0	-59.85	358.49	3.74	-56.11
CCC(CC)(CNS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007950636	0	40	-1.0	-51.87	331.40	0.39	-51.48
CCC(CC)(CNS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007950637	0	45	-1.0	-47.21	339.40	5.17	-42.04
CCC(CC)(CNS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007950638	0	45	-1.0	-65.69	368.40	1.38	-64.31
CCC(CC)(CNS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007950639	0	50	-1.0	-61.66	376.64	4.89	-56.77
CCC(CC)(CNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007950640	0	47	-1.0	-55.95	368.44	6.86	-49.09
CCC(CC)(CNS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007950641	0	41	-1.0	-51.71	350.77	3.59	-48.12
CCC(CC)(CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007950642	0	47	-1.0	-61.96	385.68	7.43	-54.53
CCC(CC)(CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007950643	0	46	-1.0	-48.41	355.59	2.07	-46.34
CCC(CC)(CNS(=O)(=O)C1(CCOC)CC1)C(=O)[O-]	REAL300007950644	0	44	-1.0	-59.08	329.69	3.90	-55.18
CCN1N=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300007950645	0	39	-1.0	-54.45	323.09	1.40	-53.05
CCN1N=CC(S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-])=N1	REAL300007950645	1	38	-2.0	-121.51	318.55	1.07	-120.44
CCC(CC)(CNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007950646	0	50	-1.0	-59.05	369.72	6.52	-52.53
CCC(CC)(CNS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007950647	0	41	-1.0	-46.81	345.37	5.94	-40.87
CCC(CC)(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007950648	0	59	-1.0	-52.92	427.50	8.75	-44.17
CCC(CC)(CNS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007950649	0	48	-1.0	-48.40	376.13	5.43	-42.97
CCC(CC)(CNS(=O)(=O)[C@H]1COC[C@H]1OC)C(=O)[O-]	REAL300007950650	0	42	-1.0	-58.69	326.26	1.48	-57.21
CCC1=NNC=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950651	0	40	-1.0	-54.04	325.08	2.26	-51.78
CCC(CC)(CNS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007950652	0	42	-1.0	-48.19	351.57	2.42	-45.77
CCC(CC)(CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007950653	0	49	-1.0	-54.67	362.43	5.02	-49.65
CCC(CC)(CNS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007950654	0	48	-1.0	-53.69	378.19	6.47	-47.22
CCC(CC)(CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007950655	0	41	-1.0	-55.13	351.08	5.33	-49.80
CCC(CC)(CNS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007950656	0	41	-1.0	-49.98	340.79	4.12	-45.86
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007950656	1	40	-2.0	-127.87	335.69	3.81	-124.06
CCC(CC)(CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007950657	0	41	-1.0	-47.22	347.04	4.28	-42.94
CCC(CC)(CNS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007950658	0	43	-1.0	-49.96	347.23	4.50	-45.46
CCC(CC)(CNS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007950659	0	44	-1.0	-58.57	356.09	6.29	-52.28
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007950660	0	46	-1.0	-53.52	381.25	5.02	-48.50
CCC(CC)(CNS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007950661	0	50	-1.0	-49.62	392.58	7.05	-42.57
CCC(CC)(CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007950662	0	48	-1.0	-47.64	389.75	7.54	-40.10
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007950663	0	43	-1.0	-61.59	334.38	6.58	-55.01
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007950664	0	38	-1.0	-49.51	337.96	3.42	-46.09
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300007950665	0	48	-1.0	-51.53	385.22	6.26	-45.27
CCN1C=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])C(C2CC2)=N1	REAL300007950666	0	47	-1.0	-48.56	363.04	4.84	-43.72
CCC(CC)(CNS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007950667	0	41	-1.0	-48.65	339.34	4.10	-44.55
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007950668	0	43	-1.0	-51.41	360.55	7.35	-44.06
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007950669	0	47	-1.0	-50.91	388.84	8.51	-42.40
CCC(CC)(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007950670	0	36	-1.0	-54.48	329.71	2.51	-51.97
CCC1=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=CC=C1Br	REAL300007950671	0	43	-1.0	-49.43	356.96	6.44	-42.99
CCC(CC)(CNS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007950672	0	50	-1.0	-47.24	388.31	5.82	-41.42
CCC(CC)(CNS(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300007950673	0	34	-1.0	-51.16	288.18	2.72	-48.44
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007950674	0	34	-1.0	-52.03	311.19	4.05	-47.98
CCC(CC)(CNS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300007950675	0	51	-1.0	-58.14	395.00	4.91	-53.23
CCC(CC)(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007950676	0	43	-1.0	-49.34	348.74	6.92	-42.42
CCC(CC)(CNS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007950677	0	45	-1.0	-47.53	352.19	2.31	-45.22
CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007950678	0	44	-1.0	-54.86	340.80	6.82	-48.04
CCC(CC)(CNS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007950679	0	48	-1.0	-51.75	348.45	4.56	-47.19
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007950680	0	52	-1.0	-48.15	402.99	5.01	-43.14
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007950681	0	40	-1.0	-47.74	337.88	2.25	-45.49
CCC(CC)(CNS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007950682	0	43	-1.0	-47.53	348.86	2.05	-45.48
CCC(CC)(CNS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007950683	0	46	-1.0	-52.84	360.87	4.72	-48.12
CCC(CC)(CNS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007950684	0	46	-1.0	-54.29	368.23	4.20	-50.09
CCC(CC)(CNS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007950685	0	47	-1.0	-47.29	360.63	2.48	-44.81
CCC(CC)(CNS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300007950686	0	43	-1.0	-61.92	356.73	2.41	-59.51
CCC(CC)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007950687	0	42	-1.0	-44.84	348.65	6.78	-38.06
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007950688	0	48	-1.0	-54.26	367.57	5.17	-49.09
CCC(CC)(CNS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007950689	0	43	-1.0	-47.25	344.51	3.81	-43.44
CCC(CC)(CNS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007950690	0	44	-1.0	-48.36	346.54	4.72	-43.64
CCC(CC)(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007950691	0	44	-1.0	-49.67	358.03	5.82	-43.85
CCC(CC)(CNS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007950692	0	39	-1.0	-51.24	328.25	3.69	-47.55
CCC(CC)(CNS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007950693	0	42	-1.0	-52.17	337.93	4.95	-47.22
CCC(CC)(CNS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007950694	0	46	-1.0	-44.78	364.81	4.52	-40.26
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007950695	0	51	-1.0	-47.03	409.31	8.29	-38.74
CCC(CC)(CNS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007950696	0	42	-1.0	-62.13	336.24	5.22	-56.91
CCC(CC)(CNS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300007950697	0	42	-1.0	-48.67	334.04	4.22	-44.45
CCC(CC)(CNS(=O)(=O)C1=CC=NC=C1C)C(=O)[O-]	REAL300007950698	0	39	-1.0	-53.17	312.68	3.63	-49.54
CCC(CC)(CNS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007950699	0	40	-1.0	-51.43	329.37	4.30	-47.13
CCC(CC)(CNS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007950700	0	45	-1.0	-60.17	356.18	0.38	-59.79
CCC(CC)(CNS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007950701	0	44	-1.0	-54.34	333.81	2.66	-51.68
CCC(CC)(CNS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007950702	0	43	-1.0	-60.41	340.68	4.03	-56.38
CCC(CC)(CNS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300007950703	0	40	-1.0	-51.72	329.17	1.91	-49.81
C=CCN(CC=C)S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950704	0	43	-1.0	-46.29	347.39	4.56	-41.73
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007950705	0	44	-1.0	-50.11	354.67	4.95	-45.16
CCC(CC)(CNS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300007950706	0	40	-1.0	-54.49	320.58	2.15	-52.34
CCC(CC)(CNS(=O)(=O)C1=NC=CC=C1C)C(=O)[O-]	REAL300007950707	0	39	-1.0	-53.90	308.05	3.36	-50.54
CCC(CC)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007950708	0	43	-1.0	-53.43	359.61	2.70	-50.73
CCC(CC)(CNS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007950709	0	42	-1.0	-54.63	339.00	4.97	-49.66
CCOC1=CC=CN=C1S(=O)(=O)NCC(CC)(CC)C(=O)[O-]	REAL300007950710	0	43	-1.0	-55.42	343.89	4.02	-51.40
CCC(CC)(CNS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007950711	0	45	-1.0	-56.62	351.50	6.30	-50.32
CCC(CC)(CNS(=O)(=O)C1=CC=NC(C)=C1)C(=O)[O-]	REAL300007950712	0	39	-1.0	-46.66	318.33	3.45	-43.21
CCC(CC)(CNS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007950713	0	41	-1.0	-51.60	328.12	4.28	-47.32
CCC(CC)(CNS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300007950714	0	39	-1.0	-53.15	319.33	3.03	-50.12
CCC(CC)(CNS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007950715	0	39	-1.0	-53.14	332.53	3.62	-49.52
CCC(CC)(CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007950716	0	44	-1.0	-54.62	363.55	5.22	-49.40
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007950717	0	50	-1.0	-51.88	379.09	6.38	-45.50
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950718	0	37	-1.0	-58.63	316.65	4.81	-53.82
CCC(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950719	0	44	-1.0	-47.11	354.11	6.98	-40.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007950720	0	29	-1.0	-42.17	282.73	3.96	-38.21
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950721	0	39	-1.0	-46.82	323.05	5.20	-41.62
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950722	0	35	-1.0	-39.50	303.27	5.70	-33.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007950723	0	36	-1.0	-46.76	316.99	4.97	-41.79
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950724	0	38	-1.0	-50.03	336.11	1.91	-48.12
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007950725	0	36	-1.0	-46.58	321.38	4.20	-42.38
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300007950726	0	43	-1.0	-43.86	341.58	4.24	-39.62
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950727	0	35	-1.0	-40.65	300.20	5.52	-35.13
CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950728	0	43	-1.0	-44.97	324.35	4.58	-40.39
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950729	0	38	-1.0	-51.26	308.11	3.31	-47.95
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007950730	0	48	-1.0	-46.98	377.27	8.19	-38.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007950731	0	38	-1.0	-47.90	319.87	3.58	-44.32
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1Br	REAL300007950732	0	32	-1.0	-45.05	288.00	4.86	-40.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007950733	0	32	-1.0	-46.51	296.68	5.03	-41.48
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950734	0	37	-1.0	-58.57	301.23	6.61	-51.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007950735	0	38	-1.0	-43.91	337.71	6.26	-37.65
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950736	0	42	-1.0	-49.74	359.20	0.78	-48.96
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950737	0	43	-1.0	-51.03	357.82	6.21	-44.82
CC1=CC(F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950738	0	35	-1.0	-44.23	300.80	5.04	-39.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007950739	0	38	-1.0	-49.56	316.74	4.79	-44.77
COCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950740	0	39	-1.0	-47.46	330.47	4.11	-43.35
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007950741	0	38	-1.0	-44.23	324.86	1.85	-42.38
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950742	0	41	-1.0	-58.53	360.43	2.60	-55.93
CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950743	0	37	-1.0	-53.20	324.91	0.25	-52.95
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300007950744	0	42	-1.0	-44.54	328.82	4.86	-39.68
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007950745	0	37	-1.0	-55.06	331.38	4.85	-50.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007950746	0	35	-1.0	-42.94	320.91	5.73	-37.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007950747	0	37	-1.0	-52.57	316.29	4.75	-47.82
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300007950748	0	42	-1.0	-55.36	342.91	-0.19	-55.55
CN(C1CCOCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950749	0	41	-1.0	-44.79	317.29	2.23	-42.56
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007950750	0	41	-1.0	-50.23	344.03	5.52	-44.71
CCN1N=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007950751	0	41	-1.0	-46.17	329.32	4.16	-42.01
CC(C)N1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007950752	0	38	-1.0	-46.08	321.41	3.34	-42.74
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950753	0	41	-1.0	-55.94	340.06	5.35	-50.59
CC(C)N1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950754	0	38	-1.0	-49.46	319.59	4.73	-44.73
CC(C)C1=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1	REAL300007950755	0	38	-1.0	-57.75	317.54	2.76	-54.99
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950756	0	44	-1.0	-47.01	322.28	6.58	-40.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007950757	0	45	-1.0	-54.89	378.29	7.22	-47.67
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950758	0	40	-1.0	-49.10	341.45	3.81	-45.29
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300007950759	0	40	-1.0	-44.98	340.15	3.97	-41.01
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007950760	0	35	-1.0	-47.35	314.89	5.60	-41.75
CC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950761	0	35	-1.0	-45.78	290.45	5.11	-40.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007950762	0	38	-1.0	-46.60	329.34	7.05	-39.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007950763	0	37	-1.0	-39.08	322.46	5.77	-33.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007950764	0	36	-1.0	-46.00	320.85	4.05	-41.95
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007950765	0	39	-1.0	-46.29	338.22	5.71	-40.58
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950766	0	47	-1.0	-45.81	369.14	5.71	-40.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007950767	0	35	-1.0	-49.55	309.56	5.32	-44.23
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950768	0	43	-1.0	-47.58	356.72	4.25	-43.33
COC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1OC	REAL300007953001	0	40	-1.0	-50.17	343.14	2.33	-47.84
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953002	0	32	-1.0	-47.30	301.10	3.60	-43.70
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007953003	0	45	-1.0	-49.92	371.54	6.01	-43.91
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007953004	0	35	-1.0	-52.04	314.18	1.36	-50.68
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1Br	REAL300007953005	0	29	-1.0	-51.94	286.13	2.95	-48.99
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007953006	0	29	-1.0	-51.01	291.00	2.82	-48.19
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953007	0	34	-1.0	-61.65	303.36	4.55	-57.10
O=C([O-])COCCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007953008	0	35	-1.0	-51.76	331.67	4.21	-47.55
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007953009	0	39	-1.0	-58.60	353.64	-1.29	-59.89
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953010	0	40	-1.0	-54.39	352.15	4.04	-50.35
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007953011	0	35	-1.0	-52.83	315.39	2.71	-50.12
COCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953012	0	36	-1.0	-51.22	324.76	1.94	-49.28
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007953013	0	35	-1.0	-51.18	318.72	-0.17	-51.35
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953014	0	38	-1.0	-61.92	354.72	0.41	-61.51
CS(=O)(=O)CCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007953015	0	34	-1.0	-61.71	318.67	-1.78	-63.49
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1C	REAL300007953016	0	39	-1.0	-50.10	330.09	3.02	-47.08
O=C([O-])COCCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007953017	0	34	-1.0	-51.73	320.81	2.70	-49.03
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007953018	0	32	-1.0	-50.58	314.74	3.54	-47.04
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007953019	0	34	-1.0	-52.56	310.66	2.59	-49.97
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953020	0	46	-1.0	-54.68	407.70	1.39	-53.29
CS(=O)(=O)N1CCN(S(=O)(=O)NCCOCC(=O)[O-])CC1	REAL300007953021	0	39	-1.0	-58.98	340.40	-2.22	-61.20
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007953022	0	38	-1.0	-54.26	343.01	3.55	-50.71
CCN1N=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007953023	0	38	-1.0	-54.06	329.12	2.15	-51.91
CC(C)CN1C=NC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953024	0	38	-1.0	-53.27	334.23	3.45	-49.82
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953025	0	41	-1.0	-49.78	322.11	4.72	-45.06
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007953026	0	42	-1.0	-57.65	373.93	5.17	-52.48
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953027	0	37	-1.0	-56.61	336.17	1.62	-54.99
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007953028	0	35	-1.0	-49.98	336.67	3.35	-46.63
COC1=CC(Cl)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1OC	REAL300007953029	0	37	-1.0	-50.67	330.03	1.47	-49.20
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=C(OC)C=C1Br	REAL300007953030	0	37	-1.0	-51.13	340.07	2.00	-49.13
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007953031	0	32	-1.0	-48.83	309.19	3.40	-45.43
O=C([O-])COCCNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007953032	0	35	-1.0	-50.07	325.11	4.98	-45.09
O=C([O-])COCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007953033	0	34	-1.0	-52.85	322.81	4.44	-48.41
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007953034	0	33	-1.0	-52.75	315.16	1.85	-50.90
O=C([O-])COCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007953035	0	36	-1.0	-53.33	326.95	3.89	-49.44
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953036	0	44	-1.0	-50.56	362.46	3.22	-47.34
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007953037	0	32	-1.0	-51.30	301.87	3.08	-48.22
COCC1=CC=C(OC)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953038	0	40	-1.0	-54.95	345.28	1.75	-53.20
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)=C1	REAL300007959001	0	48	-1.0	-50.72	376.27	7.03	-43.69
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300007959002	0	48	-1.0	-53.06	401.90	9.14	-43.92
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300007959003	0	48	-1.0	-53.06	401.90	9.14	-43.92
CN(CCC(=O)[O-])S(=O)(=O)N(C)CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300007959004	0	50	-1.0	-50.59	416.01	8.69	-41.90
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007959005	0	49	-1.0	-51.00	399.79	9.65	-41.35
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007959006	0	49	-1.0	-54.88	406.09	9.65	-45.23
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007959007	0	49	-1.0	-53.92	414.37	9.71	-44.21
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007959008	0	49	-1.0	-59.76	399.96	10.10	-49.66
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C12CC1CCCC2	REAL300007959009	0	42	-1.0	-47.70	334.37	6.36	-41.34
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959010	0	42	-1.0	-52.69	339.60	6.47	-46.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959011	0	45	-1.0	-55.13	355.62	7.44	-47.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959012	0	46	-1.0	-54.34	369.31	6.31	-48.03
CC1=CC=C(S(=O)(=O)NC(C)C23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959013	0	45	-1.0	-53.56	354.46	7.00	-46.56
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C12CC1CCCC2	REAL300007959014	0	39	-1.0	-47.63	324.09	6.30	-41.33
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959015	0	42	-1.0	-52.69	339.60	6.47	-46.22
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C12CC1CCCC2	REAL300007959016	0	42	-1.0	-47.70	334.37	6.36	-41.34
CC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959017	0	42	-1.0	-51.00	330.16	7.39	-43.61
CC(NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959018	0	40	-1.0	-49.96	322.97	4.06	-45.90
CC(NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C12CC1CCCC2	REAL300007959019	0	42	-1.0	-50.60	345.00	4.62	-45.98
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C12CC1CCCC2	REAL300007959020	0	39	-1.0	-47.12	332.29	5.62	-41.50
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959021	0	39	-1.0	-51.89	311.33	3.44	-48.45
CC(NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C12CC1CCCC2	REAL300007959022	0	47	-1.0	-48.40	347.79	5.33	-43.07
CC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C12CC1CCCC2	REAL300007959023	0	47	-1.0	-47.27	348.34	5.36	-41.91
CC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959024	0	42	-1.0	-51.00	330.16	7.39	-43.61
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959025	0	42	-1.0	-44.52	347.13	7.90	-36.62
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C12CC1CCCC2	REAL300007959026	0	39	-1.0	-49.56	325.35	4.89	-44.67
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)C23CC2CCCC3)O1	REAL300007959027	0	42	-1.0	-49.47	343.58	5.35	-44.12
CC(NS(=O)(=O)N1CCCC1C(=O)[O-])C12CC1CCCC2	REAL300007959028	0	44	-1.0	-57.02	337.89	5.59	-51.43
CC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C12CC1CCCC2	REAL300007959029	0	45	-1.0	-56.01	362.73	7.22	-48.79
CC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C12CC1CCCC2	REAL300007959030	0	47	-1.0	-47.27	348.34	5.36	-41.91
CC(NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959031	0	45	-1.0	-57.67	362.74	7.21	-50.46
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C12CC1CCCC2	REAL300007959032	0	39	-1.0	-49.56	325.35	4.89	-44.67
CC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C12CC1CCCC2	REAL300007959033	0	46	-1.0	-47.34	365.48	6.64	-40.70
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959034	0	46	-1.0	-48.25	373.15	7.44	-40.81
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C12CC1CCCC2	REAL300007959035	0	39	-1.0	-49.23	333.38	5.54	-43.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C23CC2CCCC3)=C1C	REAL300007959036	0	48	-1.0	-56.75	374.02	7.89	-48.86
CC1=CC=CC(S(=O)(=O)NC(C)C23CC2CCCC3)=C1C(=O)[O-]	REAL300007959037	0	45	-1.0	-54.31	356.17	7.61	-46.70
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C23CC2CCCC3)=C1	REAL300007959038	0	49	-1.0	-52.87	389.39	6.07	-46.80
CC(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959039	0	39	-1.0	-50.21	326.08	5.40	-44.81
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959040	0	45	-1.0	-42.82	369.34	8.40	-34.42
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959041	0	45	-1.0	-49.10	350.53	7.20	-41.90
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21)C12CC1CCCC2	REAL300007959042	0	45	-1.0	-52.06	362.93	8.71	-43.35
CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C12CC1CCCC2	REAL300007959043	0	45	-1.0	-48.27	358.54	7.22	-41.05
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)C23CC2CCCC3)C=C1[N+](=O)[O-]	REAL300007959044	0	47	-1.0	-41.56	372.58	7.38	-34.18
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C12CC1CCCC2	REAL300007959045	0	39	-1.0	-48.84	325.80	4.64	-44.20
CC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C12CC1CCCC2	REAL300007959046	0	45	-1.0	-51.04	361.77	7.25	-43.79
CC1=C(S(=O)(=O)NC(C)C23CC2CCCC3)C=C(C(=O)[O-])O1	REAL300007959047	0	42	-1.0	-52.67	345.83	5.63	-47.04
CC(NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959048	0	41	-1.0	-45.91	329.59	4.53	-41.38
CC(NS(=O)(=O)C1=CSN=C1C(=O)[O-])C12CC1CCCC2	REAL300007959049	0	38	-1.0	-51.74	318.56	4.77	-46.97
CC(NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C12CC1CCCC2	REAL300007959050	0	38	-1.0	-61.46	312.20	3.93	-57.53
CC(NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C12CC1CCCC2	REAL300007959051	0	41	-1.0	-54.37	326.14	5.59	-48.78
CC(NS(=O)(=O)CCCCCC(=O)[O-])C12CC1CCCC2	REAL300007959052	0	47	-1.0	-51.60	364.69	6.65	-44.95
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C12CC1CCCC2	REAL300007959053	0	41	-1.0	-49.71	330.28	4.54	-45.17
CC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959054	0	42	-1.0	-46.40	351.06	6.86	-39.54
COC1=CC=C(S(=O)(=O)NC(C)C23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959055	0	46	-1.0	-57.81	361.66	6.43	-51.38
CC1=CC(S(=O)(=O)NC(C)C23CC2CCCC3)=CC=C1C(=O)[O-]	REAL300007959056	0	45	-1.0	-47.52	355.59	7.03	-40.49
CC(NS(=O)(=O)N(C)CCC(=O)[O-])C12CC1CCCC2	REAL300007959057	0	43	-1.0	-47.87	334.40	4.60	-43.27
CC(NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12)C12CC1CCCC2	REAL300007959058	0	47	-1.0	-52.45	373.96	6.93	-45.52
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C23CC2CCCC3)=C1	REAL300007959059	0	49	-1.0	-52.87	389.39	6.07	-46.80
CC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959060	0	42	-1.0	-46.40	351.06	6.86	-39.54
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959061	0	42	-1.0	-48.91	336.16	7.02	-41.89
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959062	0	45	-1.0	-49.72	369.90	7.84	-41.88
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC(C)C34CC3CCCC4)C=C21	REAL300007959063	0	48	-1.0	-50.10	381.35	7.70	-42.40
CC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C12CC1CCCC2	REAL300007959064	0	45	-1.0	-56.01	362.73	7.22	-48.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959065	0	46	-1.0	-54.34	369.31	6.31	-48.03
CC1=CC=C(S(=O)(=O)NC(C)C23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959066	0	45	-1.0	-53.56	354.46	7.00	-46.56
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959067	0	45	-1.0	-55.13	355.62	7.44	-47.69
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959068	0	46	-1.0	-45.67	375.36	6.56	-39.11
CC(NS(=O)(=O)CC1(CC(=O)[O-])CC1)C12CC1CCCC2	REAL300007959069	0	45	-1.0	-47.65	344.38	6.27	-41.38
CC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C12CC1CCCC2	REAL300007959070	0	45	-1.0	-51.04	361.77	7.25	-43.79
COC1=C(S(=O)(=O)NC(C)C23CC2CCCC3)SC(C(=O)[O-])=C1	REAL300007959071	0	43	-1.0	-47.50	355.85	4.65	-42.85
CC(NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1)C12CC1CCCC2	REAL300007959072	0	47	-1.0	-48.27	371.23	7.03	-41.24
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C12CC1CCCC2	REAL300007959073	0	45	-1.0	-46.82	369.70	7.30	-39.52
CC(NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1)C12CC1CCCC2	REAL300007959074	0	49	-1.0	-52.29	382.49	8.32	-43.97
CCC1=C(S(=O)(=O)NC(C)C23CC2CCCC3)C=C(C(=O)[O-])O1	REAL300007959075	0	45	-1.0	-52.36	364.86	6.40	-45.96
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C12CC1CCCC2	REAL300007959076	0	44	-1.0	-44.94	358.35	8.06	-36.88
CC(NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1)C12CC1CCCC2	REAL300007959077	0	45	-1.0	-50.44	377.43	7.98	-42.46
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959078	0	44	-1.0	-39.55	358.50	8.06	-31.49
CC1=NC=C(S(=O)(=O)NC(C)C23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959079	0	44	-1.0	-46.91	349.51	5.16	-41.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959080	0	46	-1.0	-48.09	369.33	6.32	-41.77
COC1=CC(S(=O)(=O)NC(C)C23CC2CCCC3)=CC=C1C(=O)[O-]	REAL300007959081	0	46	-1.0	-53.45	366.85	6.56	-46.89
COC1=CC=C(S(=O)(=O)NC(C)C23CC2CCCC3)C(CC(=O)[O-])=C1	REAL300007959082	0	49	-1.0	-57.38	382.39	7.05	-50.33
CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C12CC1CCCC2	REAL300007959083	0	45	-1.0	-50.10	361.96	7.18	-42.92
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)C12CC1CCCC2	REAL300007959084	0	45	-1.0	-45.24	373.54	7.37	-37.87
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C12CC1CCCC2	REAL300007959085	0	51	-1.0	-49.58	389.30	8.03	-41.55
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C12CC1CCCC2	REAL300007959086	0	42	-1.0	-50.89	330.95	4.81	-46.08
CC(NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C12CC1CCCC2	REAL300007959087	0	48	-1.0	-50.58	377.40	8.75	-41.83
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(C)C23CC2CCCC3)=C1	REAL300007959088	0	42	-1.0	-50.61	343.32	5.48	-45.13
CC(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959089	0	42	-1.0	-50.44	352.09	6.87	-43.57
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C12CC1CCCC2	REAL300007959090	0	39	-1.0	-53.03	312.59	5.29	-47.74
CC(NS(=O)(=O)C1(C(=O)[O-])CCC1)C12CC1CCCC2	REAL300007959091	0	42	-1.0	-44.60	321.59	5.60	-39.00
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(C)C23CC2CCCC3)=C1	REAL300007959092	0	46	-1.0	-49.29	359.84	6.68	-42.61
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959093	0	39	-1.0	-51.89	311.33	3.44	-48.45
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C12CC1CCCC2	REAL300007959094	0	42	-1.0	-50.89	330.95	4.81	-46.08
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959095	0	44	-2.0	-135.09	361.25	7.32	-127.77
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959096	0	49	-1.0	-53.33	387.20	6.62	-46.71
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C12CC1CCCC2	REAL300007959097	0	41	-1.0	-47.58	335.74	4.60	-42.98
CC(NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959098	0	45	-1.0	-55.62	350.34	7.56	-48.06
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C12CC1CCCC2	REAL300007959099	0	39	-1.0	-45.81	340.46	5.18	-40.63
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C12CC1CCCC2	REAL300007959099	1	38	-2.0	-96.72	333.50	5.23	-91.49
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21)C12CC1CCCC2	REAL300007959100	0	48	-1.0	-50.70	376.81	8.76	-41.94
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C12CC1CCCC2	REAL300007959101	0	49	-1.0	-54.04	391.13	7.24	-46.80
COC1=CC=C(S(=O)(=O)NC(C)C23CC2CCCC3)C(C(=O)[O-])=C1	REAL300007959102	0	46	-1.0	-51.95	359.60	6.69	-45.26
CC(NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959103	0	41	-1.0	-54.65	335.77	4.70	-49.95
CC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959104	0	39	-1.0	-43.71	324.08	2.76	-40.95
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C12CC1CCCC2	REAL300007959105	0	42	-1.0	-53.72	333.50	3.82	-49.90
CC(NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1)C12CC1CCCC2	REAL300007959106	0	48	-1.0	-50.97	380.30	8.63	-42.34
CC(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C12CC1CCCC2	REAL300007959107	0	42	-1.0	-52.19	326.01	5.53	-46.66
CC(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C12CC1CCCC2	REAL300007959108	0	45	-1.0	-53.97	338.17	5.96	-48.01
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)C23CC2CCCC3)S1	REAL300007959109	0	42	-1.0	-49.26	350.28	6.20	-43.06
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-])C12CC1CCCC2	REAL300007959110	0	48	-1.0	-53.90	375.83	9.65	-44.25
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F)C12CC1CCCC2	REAL300007959111	0	45	-1.0	-45.54	361.74	7.98	-37.56
CC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C12CC1CCCC2	REAL300007959112	0	45	-1.0	-56.51	353.55	7.63	-48.88
CC(NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C12CC1CCCC2	REAL300007959113	0	42	-1.0	-47.58	369.87	7.09	-40.49
CC(NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C12CC1CCCC2	REAL300007959114	0	45	-1.0	-65.07	360.80	4.92	-60.15
CC(NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C12CC1CCCC2	REAL300007959115	0	45	-1.0	-44.42	365.72	7.68	-36.74
CC(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C12CC1CCCC2	REAL300007959116	0	42	-1.0	-53.70	331.02	5.71	-47.99
CC(NS(=O)(=O)N1CCCCC1C(=O)[O-])C12CC1CCCC2	REAL300007959117	0	47	-1.0	-50.67	343.05	6.42	-44.25
CC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959118	0	39	-1.0	-43.71	324.08	2.76	-40.95
CC(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C12CC1CCCC2	REAL300007959119	0	44	-1.0	-46.79	329.27	4.71	-42.08
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959120	0	39	-1.0	-51.89	311.33	3.44	-48.45
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C12CC1CCCC2	REAL300007959121	0	39	-1.0	-42.48	341.05	6.92	-35.56
CC(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C12CC1CCCC2	REAL300007959122	0	42	-1.0	-56.08	315.43	6.18	-49.90
CC1=CC(S(=O)(=O)NC(C)C23CC2CCCC3)=CN=C1C(=O)[O-]	REAL300007959123	0	44	-1.0	-50.06	347.03	5.11	-44.95
CC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C12CC1CCCC2	REAL300007959124	0	45	-1.0	-56.51	353.55	7.63	-48.88
CCOC1=CC=C(S(=O)(=O)NC(C)C23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959125	0	49	-1.0	-58.83	388.73	7.46	-51.37
CC(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C12CC1CCCC2	REAL300007959126	0	49	-1.0	-51.75	379.84	8.24	-43.51
CC(NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C12CC1CCCC2	REAL300007959127	0	41	-1.0	-44.92	325.68	5.60	-39.32
CC(NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1)C12CC1CCCC2	REAL300007959128	0	47	-1.0	-54.03	376.12	6.74	-47.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959129	0	39	-1.0	-56.22	314.01	5.82	-50.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959130	0	40	-1.0	-54.83	326.95	4.85	-49.98
CC1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959131	0	39	-1.0	-51.67	313.20	5.71	-45.96
O=C([O-])C1=C(S(=O)(=O)NC23CC2CCCC3)C=CS1	REAL300007959132	0	33	-1.0	-47.18	283.18	5.05	-42.13
O=C([O-])C1=CC=C(S(=O)(=O)NC23CC2CCCC3)S1	REAL300007959133	0	33	-1.0	-47.23	288.05	4.30	-42.93
O=C([O-])C1CCCN(S(=O)(=O)NC23CC2CCCC3)C1	REAL300007959134	0	41	-1.0	-48.78	312.16	4.23	-44.55
O=C([O-])C1CCN(S(=O)(=O)NC23CC2CCCC3)CC1	REAL300007959135	0	41	-1.0	-45.94	308.94	4.07	-41.87
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959136	0	36	-1.0	-45.40	306.71	6.63	-38.77
O=C([O-])C1=CC=C(CS(=O)(=O)NC23CC2CCCC3)C=C1	REAL300007959137	0	39	-1.0	-56.23	323.85	5.98	-50.25
O=C([O-])C1CCN(S(=O)(=O)NC23CC2CCCC3)CC1	REAL300007959138	0	41	-1.0	-45.94	308.94	4.07	-41.87
O=C([O-])C1=CC=CC(CS(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959139	0	39	-1.0	-59.89	319.43	5.70	-54.19
O=C([O-])COC1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1	REAL300007959140	0	40	-1.0	-47.18	327.76	5.41	-41.77
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959141	0	40	-1.0	-44.56	340.40	6.14	-38.42
O=C([O-])C1=CSC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959142	0	33	-1.0	-50.72	283.94	3.54	-47.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC23CC2CCCC3)=C1C	REAL300007959143	0	42	-1.0	-57.50	333.02	6.72	-50.78
CC1=CC=CC(S(=O)(=O)NC23CC2CCCC3)=C1C(=O)[O-]	REAL300007959144	0	39	-1.0	-56.08	315.52	5.93	-50.15
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959145	0	43	-1.0	-53.36	349.12	4.82	-48.54
O=C([O-])C1=CC(S(=O)(=O)NC23CC2CCCC3)=CS1	REAL300007959146	0	33	-1.0	-50.37	288.29	4.17	-46.20
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959147	0	39	-1.0	-43.82	326.00	7.03	-36.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959148	0	39	-1.0	-48.37	306.21	5.91	-42.46
O=C([O-])C1=C(S(=O)(=O)NC23CC2CCCC3)C2=CC=CC=C2S1	REAL300007959149	0	39	-1.0	-51.76	321.55	7.53	-44.23
O=C([O-])CC1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1	REAL300007959150	0	39	-1.0	-48.13	318.40	5.89	-42.24
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC23CC2CCCC3)C=C1[N+](=O)[O-]	REAL300007959151	0	41	-1.0	-41.70	332.29	6.14	-35.56
O=C([O-])CC1=CC=CC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959152	0	39	-1.0	-51.35	318.39	5.88	-45.47
O=C([O-])C1=NSC=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959153	0	32	-1.0	-50.87	277.46	3.51	-47.36
O=C([O-])C1=C(S(=O)(=O)NC23CC2CCCC3)SC=N1	REAL300007959154	0	32	-1.0	-56.66	273.83	2.43	-54.23
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959155	0	36	-1.0	-46.80	310.78	5.62	-41.18
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959156	0	36	-1.0	-46.80	315.34	5.72	-41.08
COC1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959157	0	40	-1.0	-58.46	323.50	5.17	-53.29
CC1=CC(S(=O)(=O)NC23CC2CCCC3)=CC=C1C(=O)[O-]	REAL300007959158	0	39	-1.0	-47.06	312.73	5.67	-41.39
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NC34CC3CCCC4)C=CC=C21	REAL300007959159	0	41	-1.0	-51.67	330.70	5.25	-46.42
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959160	0	43	-1.0	-53.36	349.12	4.82	-48.54
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959161	0	36	-1.0	-46.80	310.78	5.62	-41.18
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959162	0	36	-1.0	-49.63	294.01	5.75	-43.88
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959163	0	39	-1.0	-50.63	327.39	6.14	-44.49
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC34CC3CCCC4)C=C21	REAL300007959164	0	42	-1.0	-49.84	343.16	6.45	-43.39
O=C([O-])C1=CC=C(CS(=O)(=O)NC23CC2CCCC3)C=C1	REAL300007959165	0	39	-1.0	-56.23	323.85	5.98	-50.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959166	0	40	-1.0	-54.83	326.95	4.85	-49.98
CC1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959167	0	39	-1.0	-51.67	313.20	5.71	-45.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959168	0	39	-1.0	-56.22	314.01	5.82	-50.40
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959169	0	40	-1.0	-46.26	330.50	4.77	-41.49
O=C([O-])CC1=CC=CC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959170	0	39	-1.0	-51.35	318.39	5.88	-45.47
COC1=C(S(=O)(=O)NC23CC2CCCC3)SC(C(=O)[O-])=C1	REAL300007959171	0	37	-1.0	-47.70	315.02	3.43	-44.27
CC1=C(Br)C=C(S(=O)(=O)NC23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959172	0	39	-1.0	-46.21	327.93	6.16	-40.05
O=C([O-])C1CC2=CC(S(=O)(=O)NC34CC3CCCC4)=CC=C2O1	REAL300007959173	0	41	-1.0	-48.99	330.89	5.78	-43.21
O=C([O-])C1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1C(F)(F)F	REAL300007959174	0	39	-1.0	-46.04	326.33	5.91	-40.13
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC34CC3CCCC4)C=C2)CC1	REAL300007959175	0	43	-1.0	-51.92	342.35	6.99	-44.93
CCC1=C(S(=O)(=O)NC23CC2CCCC3)C=C(C(=O)[O-])O1	REAL300007959176	0	39	-1.0	-52.58	322.16	4.85	-47.73
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959177	0	38	-1.0	-45.50	318.04	6.78	-38.72
O=C([O-])C1=CC2=CC(S(=O)(=O)NC34CC3CCCC4)=CC=C2S1	REAL300007959178	0	39	-1.0	-49.53	331.87	6.59	-42.94
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959179	0	38	-1.0	-40.14	318.06	6.79	-33.35
CC1=NC=C(S(=O)(=O)NC23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959180	0	38	-1.0	-46.06	305.52	3.82	-42.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959181	0	40	-1.0	-48.11	329.94	4.98	-43.13
COC1=CC(S(=O)(=O)NC23CC2CCCC3)=CC=C1C(=O)[O-]	REAL300007959182	0	40	-1.0	-52.87	323.49	5.18	-47.69
COC1=CC=C(S(=O)(=O)NC23CC2CCCC3)C(CC(=O)[O-])=C1	REAL300007959183	0	43	-1.0	-57.36	342.41	5.03	-52.33
O=C([O-])CC1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1F	REAL300007959184	0	39	-1.0	-49.71	323.86	5.93	-43.78
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959185	0	39	-1.0	-45.56	332.84	6.10	-39.46
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1	REAL300007959186	0	45	-1.0	-47.28	351.14	6.78	-40.50
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NC34CC3CCCC4)C=CC=C12	REAL300007959187	0	42	-1.0	-50.47	335.99	7.15	-43.32
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959188	0	36	-1.0	-45.36	311.27	6.74	-38.62
O=C([O-])C1=CC(S(=O)(=O)NC23CC2CCCC3)=CC=C1Cl	REAL300007959189	0	36	-1.0	-49.84	308.73	5.50	-44.34
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959190	0	40	-1.0	-50.23	319.34	5.42	-44.81
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC23CC2CCCC3)=C1OC	REAL300007959191	0	48	-1.0	-49.98	385.58	6.07	-43.91
O=C([O-])C1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959192	0	38	-2.0	-134.69	323.05	6.07	-128.62
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959193	0	43	-1.0	-54.17	341.65	4.90	-49.27
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC12CC1CCCC2	REAL300007959194	0	39	-1.0	-56.60	309.32	6.01	-50.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959195	0	33	-1.0	-46.39	294.02	3.62	-42.77
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C23CC2CCCC3)=C1	REAL300007959195	1	32	-2.0	-97.65	297.96	3.61	-94.04
O=C([O-])C1=CC=C(S(=O)(=O)NC23CC2CCCC3)C2=CC=CC=C12	REAL300007959196	0	42	-1.0	-50.03	333.18	7.36	-42.67
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959197	0	43	-1.0	-54.21	347.61	5.70	-48.51
COC1=CC=C(S(=O)(=O)NC23CC2CCCC3)C(C(=O)[O-])=C1	REAL300007959198	0	40	-1.0	-52.85	319.27	5.41	-47.44
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NC34CC3CCCC4)C=C2C=C1	REAL300007959199	0	42	-1.0	-50.58	342.09	7.37	-43.21
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC23CC2CCCC3)S1	REAL300007959200	0	36	-1.0	-51.12	301.72	4.24	-46.88
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959201	0	42	-1.0	-55.92	334.22	8.19	-47.73
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC23CC2CCCC3)=C1	REAL300007959202	0	39	-1.0	-46.07	319.65	6.62	-39.45
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959203	0	39	-1.0	-55.19	313.15	5.75	-49.44
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NC13CC1CCCC3)=C2	REAL300007959204	0	36	-1.0	-48.53	320.42	5.08	-43.45
O=C([O-])C1=NC(S(=O)(=O)NC23CC2CCCC3)=C2C=CC=CN21	REAL300007959205	0	39	-1.0	-61.57	329.54	3.81	-57.76
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC34CC3CCCC4)=C2C=C1	REAL300007959206	0	39	-1.0	-45.58	329.93	6.40	-39.18
O=C([O-])C1CCCCN1S(=O)(=O)NC12CC1CCCC2	REAL300007959207	0	41	-1.0	-51.68	291.38	4.76	-46.92
O=C([O-])C1=C(S(=O)(=O)NC23CC2CCCC3)C=C(Cl)S1	REAL300007959208	0	33	-1.0	-42.07	300.27	5.68	-36.39
CC1=CC(S(=O)(=O)NC23CC2CCCC3)=CN=C1C(=O)[O-]	REAL300007959209	0	38	-1.0	-50.14	306.73	3.86	-46.28
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC12CC1CCCC2	REAL300007959210	0	39	-1.0	-55.19	313.15	5.75	-49.44
CCOC1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959211	0	43	-1.0	-58.15	345.35	6.08	-52.07
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC34CC3CCCC4)C=C2C1	REAL300007959212	0	43	-1.0	-48.72	339.51	7.00	-41.72
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC34CC3CCCC4)C=C2C=C1	REAL300007959213	0	41	-1.0	-53.67	337.92	5.50	-48.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959214	0	37	-1.0	-55.74	294.13	4.38	-51.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959215	0	38	-1.0	-54.73	313.25	3.79	-50.94
CC1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1C(=O)[O-]	REAL300007959216	0	37	-1.0	-51.53	296.87	4.18	-47.35
O=C([O-])C1=C(S(=O)(=O)N2CC3CCC(C2)O3)C=CS1	REAL300007959217	0	31	-1.0	-45.47	256.57	3.07	-42.40
O=C([O-])CN1C=C(S(=O)(=O)N2CC3CCC(C2)O3)C=N1	REAL300007959218	0	34	-1.0	-48.36	285.88	1.70	-46.66
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)S1	REAL300007959219	0	31	-1.0	-46.96	272.94	2.81	-44.15
O=C([O-])C1CCCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300007959220	0	39	-1.0	-48.94	304.56	3.10	-45.84
O=C([O-])C1CCN(S(=O)(=O)N2CC3CCC(C2)O3)CC1	REAL300007959221	0	39	-1.0	-50.92	304.20	3.08	-47.84
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959222	0	34	-1.0	-41.71	277.91	4.42	-37.29
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CCC(C2)O3)O1	REAL300007959223	0	34	-1.0	-48.76	285.42	2.61	-46.15
O=C([O-])C1=CC=C(CS(=O)(=O)N2CC3CCC(C2)O3)C=C1	REAL300007959224	0	37	-1.0	-56.98	303.69	4.40	-52.58
O=C([O-])C1CCN(S(=O)(=O)N2CC3CCC(C2)O3)CC1	REAL300007959225	0	39	-1.0	-50.92	304.20	3.08	-47.84
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959226	0	37	-1.0	-58.28	310.55	4.69	-53.59
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1	REAL300007959227	0	38	-1.0	-47.75	312.13	3.94	-43.81
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959228	0	38	-1.0	-43.99	312.61	4.75	-39.24
O=C([O-])C1=CSC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959229	0	31	-1.0	-48.76	273.95	2.72	-46.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1C	REAL300007959230	0	40	-1.0	-57.24	310.76	4.86	-52.38
CC1=CC=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1C(=O)[O-]	REAL300007959231	0	37	-1.0	-57.07	290.69	4.86	-52.21
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959232	0	41	-1.0	-53.15	335.94	3.40	-49.75
O=C([O-])C1=CC(S(=O)(=O)N2CC3CCC(C2)O3)=CS1	REAL300007959233	0	31	-1.0	-50.43	273.15	2.72	-47.71
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959234	0	37	-1.0	-48.07	310.43	5.27	-42.80
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959235	0	37	-1.0	-49.18	289.28	4.23	-44.95
O=C([O-])C1=C(S(=O)(=O)N2CC3CCC(C2)O3)C2=CC=CC=C2S1	REAL300007959236	0	37	-1.0	-54.89	306.76	5.86	-49.03
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1	REAL300007959237	0	37	-1.0	-48.10	303.22	4.45	-43.65
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1[N+](=O)[O-]	REAL300007959238	0	39	-1.0	-41.74	319.12	4.69	-37.05
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959239	0	37	-1.0	-51.03	303.01	4.45	-46.58
CC1=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C(C(=O)[O-])O1	REAL300007959240	0	34	-1.0	-52.97	287.00	2.88	-50.09
O=C([O-])C1=NSC=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959241	0	30	-1.0	-54.79	255.28	1.54	-53.25
O=C([O-])C1=C(S(=O)(=O)N2CC3CCC(C2)O3)SC=N1	REAL300007959242	0	30	-1.0	-64.51	269.24	1.77	-62.74
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959243	0	34	-1.0	-46.65	297.60	4.18	-42.47
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959244	0	34	-1.0	-46.63	302.16	4.29	-42.34
COC1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1C(=O)[O-]	REAL300007959245	0	38	-1.0	-57.71	308.13	3.75	-53.96
CC1=CC(S(=O)(=O)N2CC3CCC(C2)O3)=CC=C1C(=O)[O-]	REAL300007959246	0	37	-1.0	-47.26	296.85	4.23	-43.03
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CC4CCC(C3)O4)C=CC=C21	REAL300007959247	0	39	-1.0	-52.56	314.40	4.04	-48.52
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959248	0	41	-1.0	-53.15	335.94	3.40	-49.75
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959249	0	34	-1.0	-46.65	297.60	4.18	-42.47
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959250	0	34	-1.0	-49.84	271.17	3.63	-46.21
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959251	0	37	-1.0	-50.42	307.05	4.74	-45.68
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CC4CCC(C3)O4)C=C21	REAL300007959252	0	40	-1.0	-50.73	328.26	4.98	-45.75
O=C([O-])C1=CC=C(CS(=O)(=O)N2CC3CCC(C2)O3)C=C1	REAL300007959253	0	37	-1.0	-56.98	303.69	4.40	-52.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959254	0	38	-1.0	-54.73	313.25	3.79	-50.94
CC1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1C(=O)[O-]	REAL300007959255	0	37	-1.0	-51.53	296.87	4.18	-47.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959256	0	37	-1.0	-55.74	294.13	4.38	-51.36
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959257	0	38	-1.0	-45.47	307.72	3.97	-41.50
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959258	0	37	-1.0	-51.03	303.01	4.45	-46.58
COC1=C(S(=O)(=O)N2CC3CCC(C2)O3)SC(C(=O)[O-])=C1	REAL300007959259	0	35	-1.0	-46.08	301.48	2.88	-43.20
CC1=C(Br)C=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1C(=O)[O-]	REAL300007959260	0	37	-1.0	-47.59	318.70	4.81	-42.78
O=C([O-])C1CC2=CC(S(=O)(=O)N3CC4CCC(C3)O4)=CC=C2O1	REAL300007959261	0	39	-1.0	-48.75	317.67	4.32	-44.43
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1C(F)(F)F	REAL300007959262	0	37	-1.0	-46.78	310.95	4.48	-42.30
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CC4CCC(C3)O4)C=C2)CC1	REAL300007959263	0	41	-1.0	-52.12	326.95	5.56	-46.56
CCC1=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C(C(=O)[O-])O1	REAL300007959264	0	37	-1.0	-51.36	296.07	3.23	-48.13
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959265	0	36	-1.0	-51.22	298.52	4.86	-46.36
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CC4CCC(C3)O4)=CC=C2S1	REAL300007959266	0	37	-1.0	-50.55	318.69	5.17	-45.38
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959267	0	36	-1.0	-44.22	299.93	4.95	-39.27
CC1=NC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1C(=O)[O-]	REAL300007959268	0	36	-1.0	-45.58	292.34	2.33	-43.25
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959269	0	38	-1.0	-48.64	311.88	3.77	-44.87
COC1=CC(S(=O)(=O)N2CC3CCC(C2)O3)=CC=C1C(=O)[O-]	REAL300007959270	0	38	-1.0	-53.26	308.11	3.75	-49.51
COC1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C(CC(=O)[O-])=C1	REAL300007959271	0	41	-1.0	-58.32	315.60	3.51	-54.81
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1F	REAL300007959272	0	37	-1.0	-48.19	308.43	4.48	-43.71
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959273	0	37	-1.0	-45.31	319.57	4.67	-40.64
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1	REAL300007959274	0	43	-1.0	-49.03	334.21	5.31	-43.72
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959275	0	34	-1.0	-50.11	270.46	2.12	-47.99
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CC4CCC(C3)O4)C=CC=C12	REAL300007959276	0	40	-1.0	-51.01	318.16	5.83	-45.18
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959277	0	34	-1.0	-50.13	285.12	2.74	-47.39
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959278	0	34	-1.0	-41.63	282.47	4.53	-37.10
O=C([O-])C1=CC(S(=O)(=O)N2CC3CCC(C2)O3)=CC=C1Cl	REAL300007959279	0	34	-1.0	-50.06	293.35	4.04	-46.02
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959280	0	38	-1.0	-46.08	290.59	3.23	-42.85
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CC3CCC(C2)O3)=C1OC	REAL300007959281	0	46	-1.0	-49.58	362.17	4.94	-44.64
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959282	0	34	-1.0	-50.11	270.46	2.12	-47.99
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1C(=O)[O-]	REAL300007959283	0	36	-2.0	-135.17	308.21	4.62	-130.55
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959284	0	41	-1.0	-53.60	326.67	3.60	-50.00
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CC2CCC(C1)O2	REAL300007959285	0	37	-1.0	-56.07	300.29	5.09	-50.98
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959286	0	31	-1.0	-45.30	282.05	2.44	-42.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C2=CC=CC=C12	REAL300007959287	0	40	-1.0	-49.99	307.66	5.43	-44.56
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959288	0	41	-1.0	-54.25	335.11	4.71	-49.54
COC1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C(C(=O)[O-])=C1	REAL300007959289	0	38	-1.0	-49.12	290.92	3.17	-45.95
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959290	0	34	-1.0	-54.21	281.56	1.59	-52.62
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CC4CCC(C3)O4)C=C2C=C1	REAL300007959291	0	40	-1.0	-51.51	326.71	5.91	-45.60
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CCC(C2)O3)S1	REAL300007959292	0	34	-1.0	-48.78	292.00	3.43	-45.35
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959293	0	40	-1.0	-60.08	318.35	6.56	-53.52
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CC3CCC(C2)O3)=C1	REAL300007959294	0	37	-1.0	-43.69	302.52	4.78	-38.91
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959295	0	37	-1.0	-58.56	288.46	4.63	-53.93
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CC3CCC(C1)O3)=C2	REAL300007959296	0	34	-1.0	-47.74	310.44	4.28	-43.46
O=C([O-])C1=NC(S(=O)(=O)N2CC3CCC(C2)O3)=C2C=CC=CN21	REAL300007959297	0	37	-1.0	-67.06	313.18	2.60	-64.46
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CC4CCC(C3)O4)=C2C=C1	REAL300007959298	0	37	-1.0	-44.20	308.80	4.99	-39.21
O=C([O-])C1CCCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959299	0	39	-1.0	-52.11	291.28	3.70	-48.41
O=C([O-])C1=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C(Cl)S1	REAL300007959300	0	31	-1.0	-39.17	271.23	3.25	-35.92
CC1=CC(S(=O)(=O)N2CC3CCC(C2)O3)=CN=C1C(=O)[O-]	REAL300007959301	0	36	-1.0	-50.19	293.28	2.36	-47.83
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007959302	0	37	-1.0	-58.56	288.46	4.63	-53.93
CCOC1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1C(=O)[O-]	REAL300007959303	0	41	-1.0	-58.15	329.96	4.64	-53.51
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CC4CCC(C3)O4)C=C2C1	REAL300007959304	0	41	-1.0	-48.31	326.78	5.54	-42.77
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CC4CCC(C3)O4)C=C2C=C1	REAL300007959305	0	39	-1.0	-54.60	322.56	4.03	-50.57
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007959306	0	40	-1.0	-51.48	335.89	5.48	-46.00
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007959307	0	40	-1.0	-53.31	335.92	5.47	-47.84
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007959308	0	43	-1.0	-60.39	350.58	6.37	-54.02
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007959309	0	44	-1.0	-54.99	356.29	5.29	-49.70
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007959310	0	43	-1.0	-52.81	351.94	6.01	-46.80
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007959311	0	37	-1.0	-46.93	319.06	5.26	-41.67
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007959312	0	40	-1.0	-53.31	335.92	5.47	-47.84
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007959313	0	40	-1.0	-51.48	335.89	5.48	-46.00
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007959314	0	40	-1.0	-49.86	325.11	6.34	-43.52
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007959315	0	38	-1.0	-55.54	324.43	3.20	-52.34
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007959316	0	40	-1.0	-54.37	340.46	3.60	-50.77
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007959317	0	37	-1.0	-51.25	328.16	4.60	-46.65
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007959318	0	37	-1.0	-52.91	312.03	2.51	-50.40
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007959318	1	36	-2.0	-127.80	313.66	2.10	-125.70
CCC(F)(F)C(C)(C)CNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007959319	0	45	-1.0	-48.62	351.32	4.50	-44.12
CCC(F)(F)C(C)(C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007959320	0	45	-1.0	-53.04	352.94	4.62	-48.42
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007959321	0	40	-1.0	-49.86	325.11	6.34	-43.52
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007959322	0	40	-1.0	-44.15	342.03	6.87	-37.28
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007959323	0	37	-1.0	-54.42	320.66	3.83	-50.59
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007959324	0	40	-1.0	-51.79	338.88	4.31	-47.48
CCC(F)(F)C(C)(C)CNS(=O)(=O)CCCC(=O)[O-]	REAL300007959325	0	39	-1.0	-53.45	321.92	4.10	-49.35
CCC(F)(F)C(C)(C)CNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007959326	0	42	-1.0	-46.38	335.49	4.30	-42.08
CCC(F)(F)C(C)(C)CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007959327	0	43	-1.0	-58.59	359.69	6.20	-52.39
CCC(F)(F)C(C)(C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007959328	0	45	-1.0	-53.04	352.94	4.62	-48.42
CCC(F)(F)C(C)(C)CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007959329	0	43	-1.0	-62.16	359.69	6.18	-55.98
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007959330	0	37	-1.0	-54.42	320.66	3.83	-50.59
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007959331	0	44	-1.0	-50.73	366.99	5.76	-44.97
CCC(F)(F)C(C)(C)CNS(=O)(=O)CCCC(=O)[O-]	REAL300007959332	0	39	-1.0	-53.45	321.92	4.10	-49.35
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300007959333	0	44	-1.0	-47.26	374.91	6.44	-40.82
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007959334	0	37	-1.0	-50.82	329.09	4.50	-46.32
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007959335	0	46	-1.0	-61.62	367.48	6.91	-54.71
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300007959336	0	43	-1.0	-54.23	353.25	6.65	-47.58
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007959337	0	47	-1.0	-58.94	390.98	5.18	-53.76
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007959338	0	37	-1.0	-52.16	327.57	4.49	-47.67
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300007959339	0	43	-1.0	-50.68	345.88	6.16	-44.52
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007959340	0	43	-1.0	-52.45	363.44	7.79	-44.66
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007959341	0	43	-1.0	-51.16	358.06	6.25	-44.91
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300007959342	0	45	-1.0	-44.07	374.14	6.50	-37.57
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007959343	0	37	-1.0	-51.33	320.90	3.58	-47.75
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007959343	1	36	-2.0	-100.88	321.28	3.26	-97.62
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007959344	0	43	-1.0	-52.70	358.08	6.24	-46.46
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300007959345	0	40	-1.0	-57.40	340.64	4.58	-52.82
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007959346	0	39	-1.0	-48.13	331.06	3.66	-44.47
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007959347	0	36	-1.0	-50.42	313.37	3.74	-46.68
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007959348	0	36	-1.0	-54.22	317.47	3.19	-51.03
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007959348	1	35	-2.0	-126.90	317.86	2.85	-124.05
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007959349	0	39	-1.0	-53.12	322.13	4.57	-48.55
CCC(F)(F)C(C)(C)CNS(=O)(=O)CCCCCC(=O)[O-]	REAL300007959350	0	45	-1.0	-54.27	364.92	5.66	-48.61
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007959351	0	39	-1.0	-54.18	331.76	3.68	-50.50
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007959352	0	40	-1.0	-48.40	352.63	5.98	-42.42
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300007959353	0	44	-1.0	-63.91	363.19	5.54	-58.37
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300007959354	0	43	-1.0	-51.07	351.92	6.01	-45.06
CCC(F)(F)C(C)(C)CNS(=O)(=O)N(C)CCC(=O)[O-]	REAL300007959355	0	41	-1.0	-49.52	335.03	3.69	-45.83
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007959356	0	45	-1.0	-54.95	368.66	5.90	-49.05
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007959357	0	47	-1.0	-58.94	390.98	5.18	-53.76
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007959358	0	40	-1.0	-48.40	352.63	5.98	-42.42
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300007959359	0	40	-1.0	-50.39	336.02	5.98	-44.41
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300007959360	0	43	-1.0	-54.61	364.44	6.80	-47.81
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300007959361	0	46	-1.0	-53.05	382.86	6.81	-46.24
CCC(F)(F)C(C)(C)CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007959362	0	43	-1.0	-58.59	359.69	6.20	-52.39
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007959363	0	44	-1.0	-54.99	356.29	5.29	-49.70
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007959364	0	43	-1.0	-52.81	351.94	6.01	-46.80
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007959365	0	43	-1.0	-60.39	350.58	6.37	-54.02
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300007959366	0	44	-1.0	-49.96	370.18	5.50	-44.46
CCC(F)(F)C(C)(C)CNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007959367	0	43	-1.0	-48.60	346.48	5.34	-43.26
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007959368	0	43	-1.0	-52.70	358.08	6.24	-46.46
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300007959369	0	41	-1.0	-50.59	354.08	3.76	-46.83
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007959370	0	45	-1.0	-52.62	372.72	6.13	-46.49
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007959371	0	47	-1.0	-51.70	379.88	7.30	-44.40
CCC1=C(S(=O)(=O)NCC(C)(C)C(F)(F)CC)C=C(C(=O)[O-])O1	REAL300007959372	0	43	-1.0	-57.03	360.27	5.39	-51.64
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007959373	0	42	-1.0	-43.92	353.46	7.01	-36.91
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007959374	0	43	-1.0	-54.65	373.77	6.97	-47.68
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007959375	0	42	-1.0	-39.88	353.44	7.01	-32.87
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300007959376	0	42	-1.0	-51.28	347.36	4.19	-47.09
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300007959377	0	44	-1.0	-50.48	356.33	5.30	-45.18
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007959378	0	44	-1.0	-56.90	363.17	5.55	-51.35
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300007959379	0	47	-1.0	-57.80	377.81	5.97	-51.83
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007959380	0	43	-1.0	-53.87	363.49	6.29	-47.58
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007959381	0	49	-1.0	-51.98	390.81	7.15	-44.83
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007959382	0	40	-1.0	-57.64	327.80	3.80	-53.84
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007959383	0	46	-1.0	-53.54	372.19	7.70	-45.84
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300007959384	0	40	-1.0	-55.56	338.62	4.43	-51.13
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007959385	0	40	-1.0	-56.04	348.42	5.86	-50.18
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007959386	0	37	-1.0	-61.25	316.30	3.87	-57.38
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007959386	1	36	-2.0	-128.37	317.63	3.58	-124.79
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007959387	0	40	-1.0	-45.13	320.72	4.70	-40.43
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300007959388	0	44	-1.0	-48.96	354.68	5.66	-43.30
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007959389	0	37	-1.0	-52.91	312.03	2.51	-50.40
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007959389	1	36	-2.0	-127.80	313.66	2.10	-125.70
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007959390	0	40	-1.0	-57.64	327.80	3.80	-53.84
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007959391	0	42	-2.0	-137.28	362.77	6.43	-130.85
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300007959392	0	47	-1.0	-58.33	382.11	5.63	-52.70
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007959393	0	39	-1.0	-51.34	329.35	3.80	-47.54
CCC(F)(F)C(C)(C)CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007959394	0	43	-1.0	-56.44	349.36	6.61	-49.83
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007959395	0	36	-2.0	-96.41	335.94	3.80	-92.61
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007959395	1	37	-1.0	-48.59	335.56	4.12	-44.47
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007959396	0	46	-1.0	-54.63	371.84	7.70	-46.93
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(C)C(F)(F)CC	REAL300007959397	0	47	-1.0	-54.56	375.44	6.13	-48.43
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300007959398	0	44	-1.0	-50.64	354.54	5.63	-45.01
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007959399	0	39	-1.0	-55.56	331.97	3.69	-51.87
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007959400	0	37	-1.0	-47.27	319.38	1.72	-45.55
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007959401	0	40	-1.0	-59.10	337.42	3.22	-55.88
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007959402	0	46	-1.0	-54.31	381.80	7.73	-46.58
CCC(F)(F)C(C)(C)CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007959403	0	40	-1.0	-55.55	324.28	4.51	-51.04
CCC(F)(F)C(C)(C)CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007959404	0	43	-1.0	-55.52	343.05	5.18	-50.34
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300007959405	0	40	-1.0	-50.84	347.19	5.19	-45.65
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007959406	0	46	-1.0	-53.39	370.97	8.64	-44.75
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007959407	0	43	-1.0	-57.02	348.51	6.62	-50.40
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007959408	0	40	-1.0	-50.40	365.62	6.06	-44.34
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007959409	0	43	-1.0	-67.52	361.66	4.23	-63.29
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007959410	0	43	-1.0	-47.54	362.50	6.70	-40.84
CCC(F)(F)C(C)(C)CNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007959411	0	40	-1.0	-56.47	332.56	4.80	-51.67
CCC(F)(F)C(C)(C)CNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007959412	0	45	-1.0	-49.28	342.92	5.54	-43.74
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007959413	0	37	-1.0	-47.27	319.38	1.72	-45.55
CCC(F)(F)C(C)(C)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007959414	0	42	-1.0	-47.43	338.03	4.16	-43.27
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007959415	0	37	-1.0	-52.91	312.03	2.51	-50.40
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007959415	1	36	-2.0	-127.80	313.66	2.10	-125.70
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007959416	0	37	-1.0	-42.18	336.06	5.89	-36.29
CCC(F)(F)C(C)(C)CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007959417	0	40	-1.0	-58.17	316.27	5.21	-52.96
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300007959418	0	42	-1.0	-53.39	348.58	4.22	-49.17
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007959419	0	43	-1.0	-57.02	348.51	6.62	-50.40
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(F)(F)CC)C=C1C(=O)[O-]	REAL300007959420	0	47	-1.0	-59.24	385.05	6.45	-52.79
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007959421	0	47	-1.0	-51.56	381.34	7.36	-44.20
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007959422	0	39	-1.0	-44.87	320.80	4.56	-40.31
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007959423	0	45	-1.0	-57.90	377.66	5.86	-52.04
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1C	REAL300007959424	0	39	-1.0	-48.25	322.19	3.55	-44.70
CC1OC(C)C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1C	REAL300007959425	0	39	-1.0	-53.11	319.15	4.21	-48.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959426	0	42	-1.0	-54.11	341.21	4.71	-49.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959427	0	43	-1.0	-54.06	342.93	3.79	-50.27
CC1=CC=C(S(=O)(=O)NC2C(C)OC(C)C2C)C=C1C(=O)[O-]	REAL300007959428	0	42	-1.0	-53.30	352.95	4.23	-49.07
CC1OC(C)C(NS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C1C	REAL300007959429	0	36	-1.0	-45.94	301.56	3.88	-42.06
CC1OC(C)C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1C	REAL300007959430	0	39	-1.0	-53.11	319.15	4.21	-48.90
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1C	REAL300007959431	0	39	-1.0	-48.25	322.19	3.55	-44.70
CC1OC(C)C(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1C	REAL300007959432	0	39	-1.0	-49.40	300.10	4.73	-44.67
CC1OC(C)C(NS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C1C	REAL300007959433	0	37	-1.0	-50.85	308.45	1.96	-48.89
CC1OC(C)C(NS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C1C	REAL300007959434	0	39	-1.0	-48.45	332.37	1.84	-46.61
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1C	REAL300007959435	0	36	-1.0	-45.73	318.85	2.94	-42.79
CC1OC(C)C(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C1C	REAL300007959436	0	36	-1.0	-49.36	302.62	0.67	-48.69
CC1OC(C)C(NS(=O)(=O)N2CCCC(C(=O)[O-])C2)C1C	REAL300007959437	0	44	-1.0	-49.01	328.55	2.99	-46.02
CC1OC(C)C(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1C	REAL300007959438	0	44	-1.0	-45.27	334.26	2.54	-42.73
CC1OC(C)C(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1C	REAL300007959439	0	39	-1.0	-49.40	300.10	4.73	-44.67
CC1OC(C)C(NS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C1C	REAL300007959440	0	39	-1.0	-42.88	322.63	5.20	-37.68
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1C	REAL300007959441	0	36	-1.0	-48.66	313.34	2.24	-46.42
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2C(C)OC(C)C2C)O1	REAL300007959442	0	39	-1.0	-48.57	330.13	2.56	-46.01
CC1OC(C)C(NS(=O)(=O)N2CCCC2C(=O)[O-])C1C	REAL300007959443	0	41	-1.0	-59.73	318.38	3.02	-56.71
CC1OC(C)C(NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1C	REAL300007959444	0	42	-1.0	-57.28	351.90	4.61	-52.67
CC1OC(C)C(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1C	REAL300007959445	0	44	-1.0	-45.27	334.26	2.54	-42.73
CC1OC(C)C(NS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C1C	REAL300007959446	0	42	-1.0	-58.12	347.49	4.44	-53.68
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1C	REAL300007959447	0	36	-1.0	-48.66	313.34	2.24	-46.42
CC1OC(C)C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1C	REAL300007959448	0	43	-1.0	-47.86	353.29	3.82	-44.04
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959449	0	43	-1.0	-45.67	351.98	4.82	-40.85
CC1OC(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1C	REAL300007959450	0	36	-1.0	-48.27	319.78	2.84	-45.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2C(C)OC(C)C2C)=C1C	REAL300007959451	0	45	-1.0	-57.03	352.52	5.31	-51.72
CC1=CC=CC(S(=O)(=O)NC2C(C)OC(C)C2C)=C1C(=O)[O-]	REAL300007959452	0	42	-1.0	-53.71	331.72	5.18	-48.53
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2C(C)OC(C)C2C)=C1	REAL300007959453	0	46	-1.0	-52.35	377.77	3.66	-48.69
CC1OC(C)C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1C	REAL300007959454	0	36	-1.0	-49.92	314.61	3.02	-46.90
CC1OC(C)C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])C1C	REAL300007959455	0	42	-1.0	-41.55	345.85	5.74	-35.81
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959456	0	42	-1.0	-47.39	335.12	4.61	-42.78
CC1OC(C)C(NS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)C1C	REAL300007959457	0	42	-1.0	-50.76	354.90	6.04	-44.72
CC1OC(C)C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1C	REAL300007959458	0	42	-1.0	-48.31	344.40	4.33	-43.98
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2C(C)OC(C)C2C)C=C1[N+](=O)[O-]	REAL300007959459	0	44	-1.0	-42.52	360.92	4.98	-37.54
CC1OC(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C1C	REAL300007959460	0	36	-1.0	-47.89	313.58	1.98	-45.91
CC1OC(C)C(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1C	REAL300007959461	0	42	-1.0	-50.70	348.78	4.46	-46.24
CC1=C(S(=O)(=O)NC2C(C)OC(C)C2C)C=C(C(=O)[O-])O1	REAL300007959462	0	39	-1.0	-53.03	326.74	2.80	-50.23
CC1OC(C)C(NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C1C	REAL300007959463	0	38	-1.0	-45.98	321.82	1.89	-44.09
CC1OC(C)C(NS(=O)(=O)C2=CSN=C2C(=O)[O-])C1C	REAL300007959464	0	35	-1.0	-48.08	302.94	2.02	-46.06
CC1OC(C)C(NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C1C	REAL300007959465	0	35	-1.0	-52.25	306.32	1.59	-50.66
CC1OC(C)C(NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C1C	REAL300007959466	0	38	-1.0	-52.46	304.20	3.17	-49.29
CC1OC(C)C(NS(=O)(=O)CCCCCC(=O)[O-])C1C	REAL300007959467	0	44	-1.0	-52.44	349.08	4.02	-48.42
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C1C	REAL300007959468	0	38	-1.0	-50.35	318.61	2.14	-48.21
CC1OC(C)C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1C	REAL300007959469	0	39	-1.0	-44.91	340.33	4.50	-40.41
CC1OC(C)C(NS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1C	REAL300007959470	0	39	-1.0	-44.90	344.90	4.61	-40.29
COC1=CC=C(S(=O)(=O)NC2C(C)OC(C)C2C)C=C1C(=O)[O-]	REAL300007959471	0	43	-1.0	-57.78	360.23	3.64	-54.14
CC1=CC(S(=O)(=O)NC2C(C)OC(C)C2C)=CC=C1C(=O)[O-]	REAL300007959472	0	42	-1.0	-47.87	349.27	4.12	-43.75
CC1OC(C)C(NS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C1C	REAL300007959473	0	44	-1.0	-51.05	359.33	4.24	-46.81
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2C(C)OC(C)C2C)=C1	REAL300007959474	0	46	-1.0	-52.35	377.77	3.66	-48.69
CC1OC(C)C(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1C	REAL300007959475	0	39	-1.0	-44.91	340.33	4.50	-40.41
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959476	0	39	-1.0	-50.01	324.91	4.63	-45.38
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959477	0	42	-1.0	-47.67	343.12	5.15	-42.52
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3C(C)OC(C)C3C)C=C21	REAL300007959478	0	45	-1.0	-50.13	366.03	5.56	-44.57
CC1OC(C)C(NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1C	REAL300007959479	0	42	-1.0	-57.28	351.90	4.61	-52.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959480	0	43	-1.0	-54.06	342.93	3.79	-50.27
CC1=CC=C(S(=O)(=O)NC2C(C)OC(C)C2C)C=C1C(=O)[O-]	REAL300007959481	0	42	-1.0	-53.30	352.95	4.23	-49.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959482	0	42	-1.0	-54.11	341.21	4.71	-49.40
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959483	0	43	-1.0	-44.48	347.62	3.91	-40.57
CC1OC(C)C(NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1C	REAL300007959484	0	42	-1.0	-48.51	329.02	4.13	-44.38
CC1OC(C)C(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1C	REAL300007959485	0	42	-1.0	-50.70	348.78	4.46	-46.24
COC1=C(S(=O)(=O)NC2C(C)OC(C)C2C)SC(C(=O)[O-])=C1	REAL300007959486	0	40	-1.0	-45.83	336.17	2.45	-43.38
CC1OC(C)C(NS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C1C	REAL300007959487	0	44	-1.0	-49.07	363.85	4.35	-44.72
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C1C	REAL300007959488	0	42	-1.0	-47.53	363.05	4.39	-43.14
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C1C	REAL300007959489	0	46	-1.0	-52.32	365.31	5.69	-46.63
CCC1=C(S(=O)(=O)NC2C(C)OC(C)C2C)C=C(C(=O)[O-])O1	REAL300007959490	0	42	-1.0	-50.52	349.40	3.66	-46.86
CC1OC(C)C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C1C	REAL300007959491	0	41	-1.0	-44.00	328.34	5.41	-38.59
CC1OC(C)C(NS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)C1C	REAL300007959492	0	42	-1.0	-49.57	356.94	5.71	-43.86
CC1OC(C)C(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C1C	REAL300007959493	0	41	-1.0	-38.24	334.82	5.39	-32.85
CC1=NC=C(S(=O)(=O)NC2C(C)OC(C)C2C)C=C1C(=O)[O-]	REAL300007959494	0	41	-1.0	-46.04	338.61	2.43	-43.61
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959495	0	43	-1.0	-47.89	338.23	3.86	-44.03
COC1=CC(S(=O)(=O)NC2C(C)OC(C)C2C)=CC=C1C(=O)[O-]	REAL300007959496	0	43	-1.0	-53.84	360.21	3.65	-50.19
COC1=CC=C(S(=O)(=O)NC2C(C)OC(C)C2C)C(CC(=O)[O-])=C1	REAL300007959497	0	46	-1.0	-58.65	356.88	4.26	-54.39
CC1OC(C)C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C1C	REAL300007959498	0	42	-1.0	-50.45	360.52	4.40	-46.05
CC1OC(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1C	REAL300007959499	0	42	-1.0	-45.62	362.65	4.99	-40.63
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1C	REAL300007959500	0	48	-1.0	-49.09	375.39	5.18	-43.91
CC1OC(C)C(NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C1C	REAL300007959501	0	39	-1.0	-50.10	313.60	1.81	-48.29
CC1OC(C)C(NS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1C	REAL300007959502	0	45	-1.0	-49.36	357.21	6.16	-43.20
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2C(C)OC(C)C2C)=C1	REAL300007959503	0	39	-1.0	-50.21	329.86	2.69	-47.52
CC1OC(C)C(NS(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])C1C	REAL300007959504	0	39	-1.0	-42.79	327.20	5.30	-37.49
CC1OC(C)C(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1C	REAL300007959505	0	39	-1.0	-50.22	345.45	3.97	-46.25
CC1OC(C)C(NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C1C	REAL300007959506	0	36	-1.0	-50.46	303.75	2.49	-47.97
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2C(C)OC(C)C2C)=C1	REAL300007959507	0	43	-1.0	-47.61	336.23	4.05	-43.56
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC2C(C)OC(C)C2C)=C1OC	REAL300007959508	0	51	-1.0	-49.28	401.96	4.96	-44.32
CC1OC(C)C(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C1C	REAL300007959509	0	36	-1.0	-49.36	302.62	0.67	-48.69
CC1OC(C)C(NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C1C	REAL300007959510	0	39	-1.0	-50.10	313.60	1.81	-48.29
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1C	REAL300007959511	0	41	-2.0	-135.09	359.78	4.50	-130.59
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959512	0	46	-1.0	-51.88	372.54	3.95	-47.93
CC1OC(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1C	REAL300007959513	0	38	-1.0	-48.08	323.16	1.80	-46.28
CC1OC(C)C(NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C1C	REAL300007959514	0	42	-1.0	-56.35	332.08	4.94	-51.41
CC1OC(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1C	REAL300007959515	0	36	-1.0	-45.20	326.80	2.36	-42.84
CC1OC(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1C	REAL300007959515	1	35	-2.0	-92.89	324.42	1.82	-91.07
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C1C	REAL300007959516	0	45	-1.0	-49.00	356.84	6.17	-42.83
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C(C)OC(C)C1C	REAL300007959517	0	46	-1.0	-53.49	366.53	4.78	-48.71
COC1=CC=C(S(=O)(=O)NC2C(C)OC(C)C2C)C(C(=O)[O-])=C1	REAL300007959518	0	43	-1.0	-50.42	329.56	4.03	-46.39
CC1OC(C)C(NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C1C	REAL300007959519	0	38	-1.0	-55.11	328.99	1.80	-53.31
CC1OC(C)C(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1C	REAL300007959520	0	36	-1.0	-43.44	311.39	-0.04	-43.48
CC1OC(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C1C	REAL300007959521	0	39	-1.0	-52.55	328.11	1.57	-50.98
CC1OC(C)C(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C1C	REAL300007959522	0	45	-1.0	-51.30	365.00	6.48	-44.82
CC1OC(C)C(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1C	REAL300007959523	0	42	-1.0	-55.38	325.43	3.77	-51.61
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2C(C)OC(C)C2C)S1	REAL300007959524	0	39	-1.0	-49.13	331.83	3.71	-45.42
CC1OC(C)C(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C1C	REAL300007959525	0	45	-1.0	-51.72	360.20	7.00	-44.72
CC1OC(C)C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)C1C	REAL300007959526	0	42	-1.0	-44.59	347.81	5.33	-39.26
CC1OC(C)C(NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1C	REAL300007959527	0	42	-1.0	-57.77	327.17	4.97	-52.80
CC1OC(C)C(NS(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1C	REAL300007959528	0	39	-1.0	-47.77	352.49	4.58	-43.19
CC1OC(C)C(NS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C1C	REAL300007959529	0	42	-1.0	-66.12	347.42	2.68	-63.44
CC1OC(C)C(NS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C1C	REAL300007959530	0	42	-1.0	-44.28	352.35	4.88	-39.40
CC1OC(C)C(NS(=O)(=O)N2CCCCC2C(=O)[O-])C1C	REAL300007959531	0	44	-1.0	-48.97	335.65	4.09	-44.88
CC1OC(C)C(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1C	REAL300007959532	0	36	-1.0	-43.44	311.39	-0.04	-43.48
CC1OC(C)C(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1C	REAL300007959533	0	41	-1.0	-56.04	317.18	3.24	-52.80
CC1OC(C)C(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C1C	REAL300007959534	0	36	-1.0	-49.36	302.62	0.67	-48.69
CC1OC(C)C(NS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C1C	REAL300007959535	0	36	-1.0	-40.09	325.19	4.26	-35.83
CC1=CC(S(=O)(=O)NC2C(C)OC(C)C2C)=CN=C1C(=O)[O-]	REAL300007959536	0	41	-1.0	-50.71	339.39	2.44	-48.27
CC1OC(C)C(NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1C	REAL300007959537	0	42	-1.0	-57.77	327.17	4.97	-52.80
CCOC1=CC=C(S(=O)(=O)NC2C(C)OC(C)C2C)C=C1C(=O)[O-]	REAL300007959538	0	46	-1.0	-58.86	382.07	4.55	-54.31
CC1OC(C)C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1C	REAL300007959539	0	46	-1.0	-51.81	368.11	5.84	-45.97
CC1OC(C)C(NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C1C	REAL300007959540	0	38	-1.0	-43.32	304.75	3.22	-40.10
CC1OC(C)C(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)C1C	REAL300007959541	0	44	-1.0	-54.16	360.84	4.60	-49.56
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007959542	0	39	-1.0	-48.34	332.81	5.12	-43.22
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300007959543	0	39	-1.0	-50.37	333.02	5.10	-45.27
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)CCO1	REAL300007959544	0	42	-1.0	-52.76	340.63	5.52	-47.24
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)CCO1	REAL300007959545	0	43	-1.0	-54.41	357.71	4.88	-49.53
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CCO1	REAL300007959546	0	42	-1.0	-49.74	348.83	5.65	-44.09
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)CCO1	REAL300007959547	0	36	-1.0	-56.53	317.49	4.76	-51.77
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300007959548	0	39	-1.0	-50.37	333.02	5.10	-45.27
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007959549	0	39	-1.0	-48.34	332.81	5.12	-43.22
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCO1	REAL300007959550	0	39	-1.0	-62.36	324.97	6.31	-56.05
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)CCO1	REAL300007959551	0	37	-1.0	-49.10	321.49	2.80	-46.30
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CCO1	REAL300007959552	0	39	-1.0	-49.73	336.62	3.16	-46.57
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)CCO1	REAL300007959553	0	36	-1.0	-46.42	325.12	4.24	-42.18
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCO1	REAL300007959554	0	36	-1.0	-54.42	310.34	2.01	-52.41
CCC1(C(F)(F)F)CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CCO1	REAL300007959555	0	44	-1.0	-46.96	350.59	4.25	-42.71
CCC1(C(F)(F)F)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	REAL300007959556	0	44	-1.0	-47.05	352.14	4.26	-42.79
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCO1	REAL300007959557	0	39	-1.0	-62.36	324.97	6.31	-56.05
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCO1	REAL300007959558	0	36	-1.0	-47.69	317.73	3.44	-44.25
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)CCO1	REAL300007959559	0	39	-1.0	-48.88	337.57	3.98	-44.90
CCC1(C(F)(F)F)CN(S(=O)(=O)CCCC(=O)[O-])CCO1	REAL300007959560	0	38	-1.0	-49.93	318.83	3.74	-46.19
CCC1(C(F)(F)F)CN(S(=O)(=O)N2CCCC2C(=O)[O-])CCO1	REAL300007959561	0	41	-1.0	-57.78	329.67	4.12	-53.66
CCC1(C(F)(F)F)CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007959562	0	42	-1.0	-56.03	356.60	5.83	-50.20
CCC1(C(F)(F)F)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	REAL300007959563	0	44	-1.0	-47.05	352.14	4.26	-42.79
CCC1(C(F)(F)F)CN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300007959564	0	42	-1.0	-56.77	356.60	5.82	-50.95
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCO1	REAL300007959565	0	36	-1.0	-47.69	317.73	3.44	-44.25
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCO1	REAL300007959566	0	43	-1.0	-48.00	363.91	5.40	-42.60
CCC1(C(F)(F)F)CN(S(=O)(=O)CCCC(=O)[O-])CCO1	REAL300007959567	0	38	-1.0	-49.93	318.83	3.74	-46.19
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCO1	REAL300007959568	0	36	-1.0	-49.33	326.16	4.10	-45.23
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)CCO1	REAL300007959569	0	45	-1.0	-57.44	356.25	5.95	-51.49
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])CCO1	REAL300007959570	0	42	-1.0	-54.43	340.62	6.02	-48.41
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)CCO1	REAL300007959571	0	36	-1.0	-51.17	324.63	4.11	-47.06
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)CCO1	REAL300007959572	0	42	-1.0	-49.25	335.15	5.39	-43.86
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CCO1	REAL300007959573	0	42	-1.0	-48.05	355.00	5.90	-42.15
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)CCO1	REAL300007959574	0	36	-1.0	-48.46	317.87	3.24	-45.22
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300007959575	0	42	-1.0	-49.73	355.19	5.86	-43.87
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)CCO1	REAL300007959576	0	39	-1.0	-53.53	331.20	4.04	-49.49
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CCO1	REAL300007959577	0	38	-1.0	-44.97	328.14	3.27	-41.70
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CSN=C2C(=O)[O-])CCO1	REAL300007959578	0	35	-1.0	-47.76	292.91	2.43	-45.33
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)CCO1	REAL300007959579	0	35	-1.0	-61.39	305.94	2.28	-59.11
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])CCO1	REAL300007959580	0	38	-1.0	-66.01	308.76	3.75	-62.26
CCC1(C(F)(F)F)CN(S(=O)(=O)CCCCCC(=O)[O-])CCO1	REAL300007959581	0	44	-1.0	-51.47	361.83	5.30	-46.17
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300007959582	0	38	-1.0	-50.86	328.73	3.33	-47.53
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)CCO1	REAL300007959583	0	43	-1.0	-58.72	360.26	5.15	-53.57
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)CCO1	REAL300007959584	0	42	-1.0	-47.52	348.74	5.64	-41.88
CCC1(C(F)(F)F)CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO1	REAL300007959585	0	40	-1.0	-45.93	332.84	3.27	-42.66
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2C)CCO1	REAL300007959586	0	39	-1.0	-46.74	318.15	5.10	-41.64
CCC1(C(F)(F)F)CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007959587	0	42	-1.0	-56.03	356.60	5.83	-50.20
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)CCO1	REAL300007959588	0	43	-1.0	-54.41	357.71	4.88	-49.53
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CCO1	REAL300007959589	0	42	-1.0	-49.74	348.83	5.65	-44.09
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)CCO1	REAL300007959590	0	42	-1.0	-52.76	340.63	5.52	-47.24
CCC1(C(F)(F)F)CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1	REAL300007959591	0	42	-1.0	-50.90	343.01	4.98	-45.92
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300007959592	0	42	-1.0	-49.73	355.19	5.86	-43.87
CCC1=C(S(=O)(=O)N2CCOC(CC)(C(F)(F)F)C2)C=C(C(=O)[O-])O1	REAL300007959593	0	42	-1.0	-50.29	350.37	4.73	-45.56
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)CCO1	REAL300007959594	0	41	-1.0	-46.38	344.17	3.81	-42.57
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)CCO1	REAL300007959595	0	43	-1.0	-47.87	357.69	4.89	-42.98
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)CCO1	REAL300007959596	0	43	-1.0	-53.78	360.24	5.16	-48.62
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)CCO1	REAL300007959597	0	42	-1.0	-49.89	360.57	5.89	-44.00
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CCO1	REAL300007959598	0	39	-1.0	-46.89	323.30	3.37	-43.52
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)CCO1	REAL300007959599	0	39	-1.0	-48.63	335.70	4.04	-44.59
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)CCO1	REAL300007959600	0	36	-1.0	-57.30	314.32	3.49	-53.81
CCC1(C(F)(F)F)CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCO1	REAL300007959601	0	39	-1.0	-41.34	314.47	4.26	-37.08
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(OC)=CC=C2C(=O)[O-])CCO1	REAL300007959602	0	43	-1.0	-58.25	352.40	5.46	-52.79
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCO1	REAL300007959603	0	36	-1.0	-54.42	310.34	2.01	-52.41
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CCO1	REAL300007959604	0	39	-1.0	-46.89	323.30	3.37	-43.52
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CCO1	REAL300007959605	0	38	-1.0	-48.47	329.96	3.16	-45.31
CCC1(C(F)(F)F)CN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CCO1	REAL300007959606	0	42	-1.0	-51.28	343.93	6.12	-45.16
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007959607	0	36	-1.0	-45.32	332.51	3.77	-41.55
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])CCO1	REAL300007959608	0	43	-1.0	-62.67	354.07	5.56	-57.11
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CCO1	REAL300007959609	0	38	-1.0	-52.76	329.04	3.29	-49.47
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCO1	REAL300007959610	0	36	-1.0	-42.86	311.97	1.48	-41.38
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)CCO1	REAL300007959611	0	39	-1.0	-55.29	333.48	2.86	-52.43
CCC1(C(F)(F)F)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1	REAL300007959612	0	39	-1.0	-50.35	322.88	4.26	-46.09
CCC1(C(F)(F)F)CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300007959613	0	42	-1.0	-52.72	331.12	4.42	-48.30
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)CCO1	REAL300007959614	0	39	-1.0	-49.42	344.15	4.84	-44.58
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCO1	REAL300007959615	0	42	-1.0	-57.53	347.23	6.48	-51.05
CCC1(C(F)(F)F)CN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CCO1	REAL300007959616	0	39	-1.0	-52.79	327.02	4.32	-48.47
CCC1(C(F)(F)F)CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCO1	REAL300007959617	0	44	-1.0	-49.26	334.29	4.60	-44.66
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCO1	REAL300007959618	0	36	-1.0	-42.86	311.97	1.48	-41.38
CCC1(C(F)(F)F)CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1	REAL300007959619	0	41	-1.0	-58.63	332.21	3.75	-54.88
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCO1	REAL300007959620	0	36	-1.0	-54.42	310.34	2.01	-52.41
CCC1(C(F)(F)F)CN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	REAL300007959621	0	39	-1.0	-55.81	310.45	4.63	-51.18
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)CCO1	REAL300007959622	0	41	-1.0	-50.58	345.72	3.84	-46.74
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCO1	REAL300007959623	0	42	-1.0	-57.53	347.23	6.48	-51.05
CCC1(C(F)(F)F)CN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])CCO1	REAL300007959624	0	38	-1.0	-54.73	307.34	3.62	-51.11
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C1	REAL300007959625	0	43	-1.0	-51.62	361.22	8.84	-42.78
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959626	0	43	-1.0	-54.97	361.32	8.83	-46.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959627	0	46	-1.0	-56.90	368.75	9.24	-47.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959628	0	47	-1.0	-56.84	384.49	8.62	-48.22
CC1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007959629	0	46	-1.0	-55.15	380.88	9.40	-45.75
O=C([O-])C1=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=CS1	REAL300007959630	0	40	-1.0	-50.73	339.96	8.22	-42.51
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959631	0	43	-1.0	-54.97	361.32	8.83	-46.14
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C1	REAL300007959632	0	43	-1.0	-51.62	361.22	8.84	-42.78
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959633	0	43	-1.0	-66.08	351.14	9.80	-56.28
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=CN1	REAL300007959634	0	41	-1.0	-52.24	349.33	6.47	-45.77
O=C([O-])CN1C=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=N1	REAL300007959635	0	43	-1.0	-52.94	365.36	6.87	-46.07
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)S1	REAL300007959636	0	40	-1.0	-48.28	353.54	7.93	-40.35
O=C([O-])C1=CNN=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959637	0	40	-1.0	-56.05	336.72	5.81	-50.24
O=C([O-])C1CCCN(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C1	REAL300007959638	0	48	-1.0	-51.47	379.44	7.92	-43.55
O=C([O-])C1CCN(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)CC1	REAL300007959639	0	48	-1.0	-51.89	377.89	7.88	-44.01
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959640	0	43	-1.0	-66.08	351.14	9.80	-56.28
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959641	0	43	-1.0	-59.98	370.55	10.48	-49.50
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)O1	REAL300007959642	0	40	-1.0	-52.93	346.03	7.13	-45.80
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)O1	REAL300007959643	0	43	-1.0	-52.99	366.22	7.72	-45.27
O=C([O-])CCCS(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959644	0	42	-1.0	-53.93	346.77	7.47	-46.46
O=C([O-])C1CCCN1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959645	0	45	-1.0	-60.61	361.69	7.74	-52.87
O=C([O-])C1=CC=C(CS(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C1	REAL300007959646	0	46	-1.0	-59.37	384.66	9.56	-49.81
O=C([O-])C1CCN(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)CC1	REAL300007959647	0	48	-1.0	-51.89	377.89	7.88	-44.01
O=C([O-])C1=CC=CC(CS(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959648	0	46	-1.0	-62.18	384.72	9.55	-52.63
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)O1	REAL300007959649	0	40	-1.0	-52.93	346.03	7.13	-45.80
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C1	REAL300007959650	0	47	-1.0	-49.35	391.71	9.04	-40.31
O=C([O-])CCCS(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959651	0	42	-1.0	-53.93	346.77	7.47	-46.46
O=C([O-])C1=CSC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959652	0	40	-1.0	-50.78	354.21	7.86	-42.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1C	REAL300007959653	0	49	-1.0	-59.93	385.55	9.83	-50.10
CC1=CC=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1C(=O)[O-]	REAL300007959654	0	46	-1.0	-58.16	370.13	9.80	-48.36
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=CS1	REAL300007959655	0	40	-1.0	-51.30	352.82	7.75	-43.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959656	0	46	-1.0	-55.30	362.71	9.15	-46.15
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C1	REAL300007959657	0	46	-1.0	-49.93	382.81	9.53	-40.40
O=C([O-])C1=COC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959658	0	40	-1.0	-49.53	346.36	6.85	-42.68
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959659	0	46	-1.0	-53.13	383.49	9.58	-43.55
CC1=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C(C(=O)[O-])O1	REAL300007959660	0	43	-1.0	-54.37	358.32	7.69	-46.68
O=C([O-])C1=CN=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959661	0	42	-1.0	-46.92	356.26	6.93	-39.99
O=C([O-])C1=NSC=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959662	0	39	-1.0	-54.43	334.58	6.66	-47.77
O=C([O-])C1=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)SC=N1	REAL300007959663	0	39	-1.0	-58.01	336.88	6.24	-51.77
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959664	0	42	-1.0	-73.19	350.02	8.19	-65.00
O=C([O-])CCCCCS(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959665	0	48	-1.0	-54.68	389.77	9.03	-45.65
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=N1	REAL300007959666	0	42	-1.0	-54.31	357.18	7.03	-47.28
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959667	0	43	-1.0	-49.67	378.11	9.34	-40.33
COC1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007959668	0	47	-1.0	-61.49	388.09	8.82	-52.67
CC1=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300007959669	0	46	-1.0	-51.39	380.86	9.40	-41.99
CN(CCC(=O)[O-])S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959670	0	44	-1.0	-50.17	361.36	6.90	-43.27
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959671	0	43	-1.0	-49.67	378.11	9.34	-40.33
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959672	0	43	-1.0	-53.87	355.22	9.09	-44.78
O=C([O-])C1=CC=C(CS(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C1	REAL300007959673	0	46	-1.0	-59.37	384.66	9.56	-49.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959674	0	47	-1.0	-56.84	384.49	8.62	-48.22
CC1=CC=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007959675	0	46	-1.0	-55.15	380.88	9.40	-45.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300007959676	0	46	-1.0	-56.90	368.75	9.24	-47.66
O=C([O-])CC1(CS(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)CC1	REAL300007959677	0	46	-1.0	-56.41	367.90	8.72	-47.69
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)=C1	REAL300007959678	0	46	-1.0	-53.13	383.49	9.58	-43.55
COC1=C(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)SC(C(=O)[O-])=C1	REAL300007959679	0	44	-1.0	-50.12	383.42	7.27	-42.85
O=C([O-])C1CC2=CC(S(=O)(=O)N3C[C@H]4[C@H](C[C@@H]4C4=CC=CC=C4)C3)=CC=C2O1	REAL300007959680	0	48	-1.0	-51.22	398.16	9.48	-41.74
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3C[C@H]4[C@H](C[C@@H]4C4=CC=CC=C4)C3)C=C2)CC1	REAL300007959681	0	50	-1.0	-53.52	407.07	10.65	-42.87
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CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959770	0	42	-1.0	-54.24	345.13	8.27	-45.97
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959771	0	45	-1.0	-51.43	379.56	9.29	-42.14
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C3=CC=CC=C3)C=C21	REAL300007959772	0	48	-1.0	-51.62	394.50	9.25	-42.37
O=C([O-])C1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C1	REAL300007959773	0	45	-1.0	-58.98	375.53	8.53	-50.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959774	0	46	-1.0	-56.55	371.60	7.89	-48.66
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007959775	0	45	-1.0	-53.12	364.25	8.41	-44.71
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959776	0	45	-1.0	-57.84	363.07	8.84	-49.00
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959777	0	46	-1.0	-47.02	384.40	7.88	-39.14
O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)CC1	REAL300007959778	0	45	-1.0	-54.57	361.12	7.75	-46.82
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=C1	REAL300007959779	0	45	-1.0	-52.96	372.70	8.72	-44.24
COC1=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)SC(C(=O)[O-])=C1	REAL300007959780	0	43	-1.0	-48.42	368.51	6.17	-42.25
O=C([O-])C1CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@@H]3C3=CC=CC=C3)=CC=C2O1	REAL300007959781	0	47	-1.0	-50.88	384.36	8.59	-42.29
O=C([O-])C1(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C3=CC=CC=C3)C=C2)CC1	REAL300007959782	0	49	-1.0	-53.65	395.89	9.74	-43.91
CCC1=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300007959783	0	45	-1.0	-54.23	373.21	7.85	-46.38
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959784	0	44	-1.0	-45.40	365.74	9.46	-35.94
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959785	0	44	-1.0	-40.80	368.77	9.44	-31.36
CC1=NC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007959786	0	44	-1.0	-46.18	361.29	6.60	-39.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959787	0	46	-1.0	-48.60	364.25	7.59	-41.01
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007959788	0	46	-1.0	-54.05	375.93	7.96	-46.09
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C(CC(=O)[O-])=C1	REAL300007959789	0	49	-1.0	-59.71	390.30	8.45	-51.26
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C1F	REAL300007959790	0	45	-1.0	-51.02	377.44	8.67	-42.35
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C1	REAL300007959791	0	51	-1.0	-47.60	403.42	9.62	-37.98
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959792	0	42	-1.0	-53.08	341.00	6.15	-46.93
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C3=CC=CC=C3)C=CC=C12	REAL300007959793	0	48	-1.0	-51.06	384.47	10.19	-40.87
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=C1	REAL300007959794	0	42	-1.0	-51.40	351.37	6.92	-44.48
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=CC=C1Cl	REAL300007959795	0	42	-1.0	-51.89	362.32	8.23	-43.66
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)OC=C1	REAL300007959796	0	39	-1.0	-63.31	331.16	6.34	-56.97
O=C([O-])C1(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)CCC1	REAL300007959797	0	42	-1.0	-44.93	333.17	7.06	-37.87
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=C1	REAL300007959798	0	46	-1.0	-49.88	366.73	8.12	-41.76
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959799	0	39	-1.0	-53.53	321.71	4.81	-48.72
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959800	0	42	-1.0	-53.08	341.00	6.15	-46.93
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007959801	0	44	-2.0	-134.92	378.01	8.79	-126.13
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959802	0	49	-1.0	-55.11	397.44	8.08	-47.03
O=C([O-])C1=CC=NC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=C1	REAL300007959803	0	41	-1.0	-48.85	347.20	6.07	-42.78
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959804	0	45	-1.0	-58.76	365.39	8.94	-49.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=C1	REAL300007959805	0	39	-1.0	-46.45	348.31	6.61	-39.84
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C2=CC=CC=C2)=C1	REAL300007959805	1	38	-2.0	-95.88	347.28	6.52	-89.36
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C2=CC=CC=C12	REAL300007959806	0	48	-1.0	-51.47	386.90	10.19	-41.28
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959807	0	49	-1.0	-56.14	393.52	8.82	-47.32
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300007959808	0	46	-1.0	-52.41	366.82	8.09	-44.32
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=CC=N1	REAL300007959809	0	41	-1.0	-55.31	344.86	6.11	-49.20
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=NN1	REAL300007959810	0	39	-1.0	-44.52	334.47	4.19	-40.33
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959811	0	42	-1.0	-54.83	348.42	5.54	-49.29
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C3=CC=CC=C3)C=C2C=C1	REAL300007959812	0	48	-1.0	-52.21	393.35	10.17	-42.04
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C1	REAL300007959813	0	42	-1.0	-53.59	337.77	6.92	-46.67
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C1	REAL300007959814	0	45	-1.0	-56.56	354.05	7.64	-48.92
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)S1	REAL300007959815	0	42	-1.0	-50.77	359.45	7.68	-43.09
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959816	0	48	-1.0	-54.84	383.30	11.10	-43.74
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959817	0	45	-1.0	-59.31	363.98	9.04	-50.27
O=C([O-])C1=NC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=C2C=CC=CN21	REAL300007959818	0	45	-1.0	-61.09	378.53	6.53	-54.56
O=C([O-])C1=CN2C=NC(S(=O)(=O)N[C@@H]3CCC[C@@H]3C3=CC=CC=C3)=C2C=C1	REAL300007959819	0	45	-1.0	-45.92	375.25	9.19	-36.73
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959820	0	42	-1.0	-55.52	344.45	7.25	-48.27
O=C([O-])C1CCCCN1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959821	0	47	-1.0	-52.68	357.37	7.97	-44.71
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=NN1	REAL300007959822	0	39	-1.0	-44.52	334.47	4.19	-40.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959823	0	44	-1.0	-48.38	348.49	6.61	-41.77
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959824	0	39	-1.0	-53.53	321.71	4.81	-48.72
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C(Cl)S1	REAL300007959825	0	39	-1.0	-43.06	348.99	8.35	-34.71
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959826	0	42	-1.0	-59.89	331.14	7.67	-52.22
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300007959827	0	44	-1.0	-51.23	363.93	6.60	-44.63
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959828	0	45	-1.0	-59.31	363.98	9.04	-50.27
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007959829	0	49	-1.0	-60.20	397.80	8.86	-51.34
O=C([O-])C1CC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C3=CC=CC=C3)C=C2C1	REAL300007959830	0	49	-1.0	-53.62	396.06	9.82	-43.80
O=C([O-])C1=CC=NC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C1=CC=CC=C1	REAL300007959831	0	41	-1.0	-45.63	333.86	7.00	-38.63
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C3=CC=CC=C3)C=C2C=C1	REAL300007959832	0	47	-1.0	-55.50	389.21	8.29	-47.21
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959833	0	39	-1.0	-49.75	330.09	4.63	-45.12
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007959834	0	46	-1.0	-43.05	362.96	6.69	-36.36
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007959835	0	31	-1.0	-40.88	296.29	3.76	-37.12
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959836	0	41	-1.0	-44.31	318.77	4.89	-39.42
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959837	0	37	-1.0	-39.30	316.72	5.51	-33.79
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007959838	0	38	-1.0	-42.34	312.08	4.34	-38.00
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007959839	0	40	-1.0	-46.57	348.03	1.66	-44.91
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007959840	0	38	-1.0	-39.63	330.27	3.89	-35.74
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1OC	REAL300007959841	0	45	-1.0	-43.90	354.27	4.09	-39.81
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959842	0	37	-1.0	-38.62	312.79	5.42	-33.20
CN(C1CCCCC1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959843	0	45	-1.0	-42.20	340.57	4.58	-37.62
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959844	0	40	-1.0	-44.98	321.46	3.16	-41.82
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007959845	0	50	-1.0	-42.87	385.99	7.90	-34.97
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007959846	0	40	-1.0	-45.54	328.76	3.25	-42.29
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007959847	0	34	-1.0	-41.00	297.01	4.74	-36.26
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007959848	0	34	-1.0	-40.07	305.57	4.72	-35.35
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959849	0	39	-1.0	-50.14	319.92	6.52	-43.62
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007959850	0	40	-1.0	-41.39	346.31	6.13	-35.26
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959851	0	44	-1.0	-46.08	369.16	0.66	-45.42
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007959852	0	45	-1.0	-46.74	369.76	5.98	-40.76
CC1=CC(F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959853	0	37	-1.0	-41.89	314.36	4.91	-36.98
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007959854	0	40	-1.0	-44.32	326.07	4.50	-39.82
COCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007959855	0	41	-1.0	-45.43	339.34	3.83	-41.60
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007959856	0	40	-1.0	-42.76	333.33	1.73	-41.03
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007959857	0	43	-1.0	-61.74	369.31	2.30	-59.44
CC(C)(C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007959858	0	39	-1.0	-49.21	334.87	0.13	-49.08
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1C	REAL300007959859	0	44	-1.0	-44.46	346.11	4.97	-39.49
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007959860	0	39	-1.0	-43.57	330.42	4.64	-38.93
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007959861	0	37	-1.0	-39.99	329.37	5.45	-34.54
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007959862	0	39	-1.0	-47.79	328.29	4.53	-43.26
CC(C)(C)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007959863	0	44	-1.0	-43.40	360.32	-0.13	-43.53
CN(C1CCOCC1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959864	0	43	-1.0	-40.68	327.74	2.05	-38.63
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=NN1C1=CC=CC=N1	REAL300007959865	0	43	-1.0	-50.32	354.45	5.31	-45.01
CCN1N=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1C	REAL300007959866	0	43	-1.0	-46.32	346.30	4.07	-42.25
CC(C)N1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007959867	0	40	-1.0	-48.13	332.07	3.24	-44.89
CC(C)CN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959868	0	43	-1.0	-50.77	343.28	6.04	-44.73
CC(C)N1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959869	0	40	-1.0	-53.02	329.44	4.84	-48.18
CC(C)C1=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CN1	REAL300007959870	0	40	-1.0	-52.93	321.35	3.32	-49.61
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959871	0	46	-1.0	-45.90	337.18	6.76	-39.14
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959872	0	42	-1.0	-49.64	353.02	3.59	-46.05
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1OC	REAL300007959873	0	42	-1.0	-53.93	356.54	3.77	-50.16
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Br	REAL300007959874	0	37	-1.0	-41.08	323.85	5.32	-35.76
CC1=C(F)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959875	0	37	-1.0	-40.95	300.89	4.92	-36.03
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007959876	0	40	-1.0	-43.97	342.73	6.94	-37.03
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007959877	0	39	-1.0	-39.41	335.44	6.22	-33.19
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007959878	0	38	-1.0	-44.17	329.82	3.77	-40.40
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007959879	0	41	-1.0	-43.88	335.57	5.70	-38.18
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959880	0	49	-1.0	-45.87	381.67	5.45	-40.42
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007959881	0	37	-1.0	-42.03	319.52	5.01	-37.02
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959882	0	45	-1.0	-46.02	353.59	3.65	-42.37
C=C(Cl)CC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007961001	0	38	-1.0	-42.44	365.17	4.61	-37.83
C=C(Cl)CC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007961002	0	42	-1.0	-50.76	371.64	6.39	-44.37
C=C(Cl)CC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007961003	0	40	-1.0	-51.97	373.28	6.94	-45.03
C=C(Cl)CC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007961004	0	35	-1.0	-64.76	314.05	5.30	-59.46
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007961005	0	30	-1.0	-43.30	312.65	3.01	-40.29
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CC(=C)Cl)C(=O)[O-])=C1	REAL300007961006	0	40	-1.0	-52.52	368.22	5.73	-46.79
C=C(Cl)CC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300007961007	0	39	-1.0	-47.37	363.87	4.84	-42.53
C=C(Cl)CC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007961008	0	33	-1.0	-59.74	320.04	3.39	-56.35
C=C(Cl)CC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007961009	0	35	-1.0	-43.53	348.94	6.90	-36.63
C=C(Cl)CC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007961010	0	28	-1.0	-51.13	302.84	2.22	-48.91
C=C(Cl)CC([N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007961010	1	27	-2.0	-121.75	306.10	2.40	-119.35
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300007961011	0	35	-1.0	-48.02	343.59	5.98	-42.04
C=C(Cl)CC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007961012	0	42	-1.0	-44.43	370.66	5.26	-39.17
C=C(Cl)CC(NS(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300007961013	0	26	-1.0	-40.16	282.17	2.64	-37.52
C=C(Cl)CC([N-]S(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300007961013	1	25	-2.0	-120.14	282.59	2.30	-117.84
C=C(Cl)CC(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007961014	0	26	-1.0	-47.79	294.16	3.65	-44.14
C=C(Cl)CC([N-]S(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007961014	1	25	-2.0	-118.39	292.05	3.33	-115.06
C=C(Cl)CC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300007961015	0	43	-1.0	-45.28	390.60	4.47	-40.81
C=C(Cl)CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007961016	0	35	-1.0	-44.18	339.55	6.84	-37.34
C=C(Cl)CC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007961017	0	37	-1.0	-47.43	330.78	1.73	-45.70
C=C(Cl)CC(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007961018	0	36	-1.0	-54.21	321.69	6.04	-48.17
C=C(Cl)CC(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007961019	0	40	-1.0	-41.01	338.81	4.23	-36.78
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007961020	0	44	-1.0	-50.61	386.44	4.49	-46.12
C=C(Cl)CC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007961021	0	32	-1.0	-40.89	312.75	1.72	-39.17
C=C(Cl)CC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007961022	0	35	-1.0	-42.15	331.36	1.51	-40.64
C=C(Cl)CC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007961023	0	38	-1.0	-46.23	349.26	4.28	-41.95
C=C(Cl)CC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007961024	0	38	-1.0	-50.58	341.53	3.61	-46.97
C=C(Cl)CC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007961025	0	39	-1.0	-37.89	336.17	1.60	-36.29
C=C(Cl)CC(NS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300007961026	0	35	-1.0	-54.48	338.77	2.00	-52.48
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007961027	0	40	-1.0	-48.25	358.70	4.52	-43.73
C=C(Cl)CC(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007961028	0	35	-1.0	-46.10	321.57	3.14	-42.96
C=C(Cl)CC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007961029	0	36	-1.0	-49.75	331.99	3.87	-45.88
C=C(Cl)CC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007961030	0	36	-1.0	-55.46	331.13	4.85	-50.61
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007961031	0	31	-1.0	-48.37	314.49	3.06	-45.31
C=C(Cl)CC(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007961032	0	34	-1.0	-60.66	317.96	4.43	-56.23
C=C(Cl)CC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007961033	0	38	-1.0	-49.93	341.15	3.69	-46.24
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007961034	0	43	-1.0	-49.95	393.63	7.65	-42.30
C=C(Cl)CC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007961035	0	34	-1.0	-59.58	318.06	4.93	-54.65
C=C(Cl)CC(NS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300007961036	0	34	-1.0	-56.53	318.18	3.75	-52.78
C=C(Cl)CC(NS(=O)(=O)C1=CC=NC=C1C)C(=O)[O-]	REAL300007961037	0	31	-1.0	-40.30	291.40	3.07	-37.23
C=C(Cl)CC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007961038	0	32	-1.0	-38.34	317.80	3.85	-34.49
C=C(Cl)CC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007961039	0	37	-1.0	-57.56	335.62	-0.37	-57.93
C=C(Cl)CC(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007961040	0	36	-1.0	-38.74	295.96	1.99	-36.75
C=C(Cl)CC(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007961041	0	35	-1.0	-54.61	322.78	3.57	-51.04
C=C(Cl)CC(NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300007961042	0	32	-1.0	-54.31	310.11	1.53	-52.78
C=CCN(CC=C)S(=O)(=O)NC(CC(=C)Cl)C(=O)[O-]	REAL300007961043	0	35	-1.0	-51.82	321.25	3.92	-47.90
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007961044	0	36	-1.0	-60.85	326.88	4.04	-56.81
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300007961045	0	32	-1.0	-47.20	311.72	1.49	-45.71
C=C(Cl)CC(NS(=O)(=O)C1=NC=CC=C1C)C(=O)[O-]	REAL300007961046	0	31	-1.0	-57.25	294.28	2.99	-54.26
C=C(Cl)CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007961047	0	35	-1.0	-39.66	333.38	2.55	-37.11
C=C(Cl)CC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007961048	0	34	-1.0	-50.42	314.48	4.30	-46.12
C=C(Cl)CC(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300007961049	0	35	-1.0	-59.77	327.66	3.42	-56.35
C=C(Cl)CC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007961050	0	37	-1.0	-59.92	336.30	5.45	-54.47
C=C(Cl)CC(NS(=O)(=O)C1=CC=NC(C)=C1)C(=O)[O-]	REAL300007961051	0	31	-1.0	-48.46	301.67	2.92	-45.54
C=C(Cl)CC(NS(=O)(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]	REAL300007961052	0	33	-1.0	-53.94	313.20	3.86	-50.08
C=C(Cl)CC(NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300007961053	0	31	-1.0	-42.30	297.48	2.53	-39.77
C=C(Cl)CC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007961054	0	31	-1.0	-58.88	314.74	3.13	-55.75
C=C(Cl)CC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007961055	0	36	-1.0	-51.45	352.50	4.86	-46.59
C=C(Cl)CC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007961056	0	42	-1.0	-45.11	372.22	6.19	-38.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961057	0	39	-1.0	-54.18	323.98	4.26	-49.92
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961058	0	40	-1.0	-53.59	341.26	2.79	-50.80
CC1=CC=C(S(=O)(=O)NC2CC(C)OC2C)C=C1C(=O)[O-]	REAL300007961059	0	39	-1.0	-51.66	327.83	3.52	-48.14
CC1CC(NS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C(C)O1	REAL300007961060	0	33	-1.0	-47.58	293.47	3.03	-44.55
CC1CC(NS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C(C)O1	REAL300007961061	0	36	-1.0	-49.14	317.00	1.14	-48.00
CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)O1	REAL300007961062	0	33	-1.0	-46.11	303.30	2.15	-43.96
CC1CC(NS(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)O1	REAL300007961063	0	41	-1.0	-49.24	320.03	1.77	-47.47
CC1CC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)O1	REAL300007961064	0	41	-1.0	-45.33	320.38	1.88	-43.45
CC1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C(C)O1	REAL300007961065	0	36	-1.0	-45.45	313.34	4.52	-40.93
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC(C)OC2C)O1	REAL300007961066	0	36	-1.0	-48.91	315.56	1.85	-47.06
CC1CC(NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)O1	REAL300007961067	0	39	-1.0	-57.67	330.79	3.99	-53.68
CC1CC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)O1	REAL300007961068	0	41	-1.0	-45.33	320.38	1.88	-43.45
CC1CC(NS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C(C)O1	REAL300007961069	0	39	-1.0	-58.66	330.76	3.98	-54.68
CC1CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)O1	REAL300007961070	0	40	-1.0	-47.81	339.04	3.63	-44.18
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961071	0	40	-1.0	-45.31	347.02	4.34	-40.97
CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)O1	REAL300007961072	0	33	-1.0	-49.25	300.79	2.35	-46.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC(C)OC2C)=C1C	REAL300007961073	0	42	-1.0	-55.17	341.08	4.82	-50.35
CC1=CC=CC(S(=O)(=O)NC2CC(C)OC2C)=C1C(=O)[O-]	REAL300007961074	0	39	-1.0	-51.96	329.19	4.17	-47.79
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC(C)OC2C)=C1	REAL300007961075	0	43	-1.0	-53.04	366.54	2.67	-50.37
CC1CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)O1	REAL300007961076	0	33	-1.0	-50.18	303.68	2.04	-48.14
CC1CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])C(C)O1	REAL300007961077	0	39	-1.0	-40.65	340.57	4.90	-35.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961078	0	39	-1.0	-48.50	323.02	3.71	-44.79
CC1CC(NS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)C(C)O1	REAL300007961079	0	39	-1.0	-50.26	335.74	5.62	-44.64
CC1CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)O1	REAL300007961080	0	39	-1.0	-46.26	334.01	3.77	-42.49
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC(C)OC2C)C=C1[N+](=O)[O-]	REAL300007961081	0	41	-1.0	-42.13	349.98	4.02	-38.11
CC1CC(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)O1	REAL300007961082	0	39	-1.0	-48.07	334.03	3.76	-44.31
CC1=C(S(=O)(=O)NC2CC(C)OC2C)C=C(C(=O)[O-])O1	REAL300007961083	0	36	-1.0	-52.33	317.89	2.14	-50.19
CC1CC(NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C(C)O1	REAL300007961084	0	35	-1.0	-46.25	307.03	1.19	-45.06
CC1CC(NS(=O)(=O)C2=CSN=C2C(=O)[O-])C(C)O1	REAL300007961085	0	32	-1.0	-49.70	285.18	1.58	-48.12
CC1CC(NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(C)O1	REAL300007961086	0	32	-1.0	-63.34	278.49	0.50	-62.84
CC1CC(NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C(C)O1	REAL300007961087	0	35	-1.0	-52.45	298.77	2.11	-50.34
CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C(C)O1	REAL300007961088	0	35	-1.0	-50.57	307.62	1.20	-49.37
CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(C)O1	REAL300007961089	0	36	-1.0	-46.30	328.19	3.47	-42.83
CC1CC(NS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C(C)O1	REAL300007961090	0	36	-1.0	-46.29	332.76	3.58	-42.71
COC1=CC=C(S(=O)(=O)NC2CC(C)OC2C)C=C1C(=O)[O-]	REAL300007961091	0	40	-1.0	-57.50	339.07	3.05	-54.45
CC1=CC(S(=O)(=O)NC2CC(C)OC2C)=CC=C1C(=O)[O-]	REAL300007961092	0	39	-1.0	-47.70	327.66	3.54	-44.16
CC1CC(NS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C(C)O1	REAL300007961093	0	41	-1.0	-51.76	340.38	3.60	-48.16
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC(C)OC2C)=C1	REAL300007961094	0	43	-1.0	-53.04	366.54	2.67	-50.37
CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(C)O1	REAL300007961095	0	36	-1.0	-46.30	328.19	3.47	-42.83
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961096	0	36	-1.0	-50.83	307.65	3.27	-47.56
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961097	0	39	-1.0	-49.66	337.52	4.70	-44.96
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3CC(C)OC3C)C=C21	REAL300007961098	0	42	-1.0	-50.87	354.87	4.71	-46.16
CC1CC(NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)O1	REAL300007961099	0	39	-1.0	-57.67	330.79	3.99	-53.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961100	0	40	-1.0	-53.59	341.26	2.79	-50.80
CC1=CC=C(S(=O)(=O)NC2CC(C)OC2C)C=C1C(=O)[O-]	REAL300007961101	0	39	-1.0	-51.66	327.83	3.52	-48.14
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961102	0	39	-1.0	-54.18	323.98	4.26	-49.92
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961103	0	40	-1.0	-44.10	343.07	3.42	-40.68
CC1CC(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)O1	REAL300007961104	0	39	-1.0	-48.07	334.03	3.76	-44.31
COC1=C(S(=O)(=O)NC2CC(C)OC2C)SC(C(=O)[O-])=C1	REAL300007961105	0	37	-1.0	-44.73	329.74	2.45	-42.28
CC1=C(Br)C=C(S(=O)(=O)NC2CC(C)OC2C)C=C1C(=O)[O-]	REAL300007961106	0	39	-1.0	-45.69	345.75	4.05	-41.64
CC1CC(NS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C(C)O1	REAL300007961107	0	41	-1.0	-49.15	348.54	3.66	-45.49
CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C)O1	REAL300007961108	0	39	-1.0	-47.07	341.77	3.81	-43.26
CC1CC(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C)O1	REAL300007961109	0	43	-1.0	-52.37	357.87	4.88	-47.49
CCC1=C(S(=O)(=O)NC2CC(C)OC2C)C=C(C(=O)[O-])O1	REAL300007961110	0	39	-1.0	-49.92	331.88	3.09	-46.83
CC1CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)O1	REAL300007961111	0	38	-1.0	-42.88	330.08	4.57	-38.31
CC1CC(NS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)C(C)O1	REAL300007961112	0	39	-1.0	-51.11	349.61	4.48	-46.63
CC1CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C(C)O1	REAL300007961113	0	38	-1.0	-40.41	324.49	4.65	-35.76
CC1=NC=C(S(=O)(=O)NC2CC(C)OC2C)C=C1C(=O)[O-]	REAL300007961114	0	38	-1.0	-45.67	323.34	1.71	-43.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961115	0	40	-1.0	-47.02	340.76	2.87	-44.15
COC1=CC(S(=O)(=O)NC2CC(C)OC2C)=CC=C1C(=O)[O-]	REAL300007961116	0	40	-1.0	-53.51	338.91	3.07	-50.44
COC1=CC=C(S(=O)(=O)NC2CC(C)OC2C)C(CC(=O)[O-])=C1	REAL300007961117	0	43	-1.0	-56.24	354.58	3.58	-52.66
CC1CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C(C)O1	REAL300007961118	0	39	-1.0	-50.28	339.25	3.82	-46.46
CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(C)O1	REAL300007961119	0	39	-1.0	-45.55	350.53	3.96	-41.59
CC1CC(NS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)O1	REAL300007961120	0	45	-1.0	-49.73	366.37	4.64	-45.09
CC1CC(NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)O1	REAL300007961121	0	36	-1.0	-46.61	299.61	1.52	-45.09
CC1CC(NS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(C)O1	REAL300007961122	0	42	-1.0	-50.05	349.09	5.24	-44.81
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CC(C)OC2C)=C1	REAL300007961123	0	36	-1.0	-48.78	315.08	2.03	-46.75
CC1CC(NS(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])C(C)O1	REAL300007961124	0	36	-1.0	-45.35	317.92	4.63	-40.72
CC1CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)O1	REAL300007961125	0	36	-1.0	-49.94	324.30	3.38	-46.56
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CC(C)OC2C)=C1	REAL300007961126	0	40	-1.0	-49.95	325.98	3.32	-46.63
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC2CC(C)OC2C)=C1OC	REAL300007961127	0	48	-1.0	-51.96	394.17	4.29	-47.67
CC1CC(NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)O1	REAL300007961128	0	36	-1.0	-46.61	299.61	1.52	-45.09
CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)O1	REAL300007961129	0	38	-2.0	-135.21	338.63	3.94	-131.27
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961130	0	43	-1.0	-52.46	359.07	3.17	-49.29
CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)O1	REAL300007961131	0	35	-1.0	-47.37	304.18	1.48	-45.89
CC1CC(NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C(C)O1	REAL300007961132	0	39	-1.0	-54.64	325.38	4.14	-50.50
CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)O1	REAL300007961133	0	33	-1.0	-44.77	312.02	1.72	-43.05
CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)O1	REAL300007961133	1	32	-2.0	-92.29	307.34	1.49	-90.80
CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C(C)O1	REAL300007961134	0	42	-1.0	-50.36	348.82	5.26	-45.10
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)OC1C	REAL300007961135	0	43	-1.0	-53.09	363.11	3.71	-49.38
COC1=CC=C(S(=O)(=O)NC2CC(C)OC2C)C(C(=O)[O-])=C1	REAL300007961136	0	40	-1.0	-49.28	331.28	3.18	-46.10
CC1CC(NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C(C)O1	REAL300007961137	0	35	-1.0	-54.24	307.99	1.23	-53.01
CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C(C)O1	REAL300007961138	0	36	-1.0	-52.76	305.52	0.33	-52.43
CC1CC(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C(C)O1	REAL300007961139	0	42	-1.0	-51.90	357.56	5.24	-46.66
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC(C)OC2C)S1	REAL300007961140	0	36	-1.0	-48.54	322.60	2.71	-45.83
CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C)O1	REAL300007961141	0	42	-1.0	-51.33	347.60	6.16	-45.17
CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)C(C)O1	REAL300007961142	0	39	-1.0	-44.34	329.44	4.79	-39.55
CC1CC(NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)O1	REAL300007961143	0	39	-1.0	-55.36	319.69	4.53	-50.83
CC1CC(NS(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C(C)O1	REAL300007961144	0	36	-1.0	-47.92	337.34	3.94	-43.98
CC1CC(NS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C(C)O1	REAL300007961145	0	39	-1.0	-63.46	338.71	1.71	-61.75
CC1CC(NS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C(C)O1	REAL300007961146	0	39	-1.0	-44.63	339.17	4.23	-40.40
CC1CC(NS(=O)(=O)N2CCCCC2C(=O)[O-])C(C)O1	REAL300007961147	0	41	-1.0	-48.34	314.00	2.86	-45.48
CC1CC(NS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C(C)O1	REAL300007961148	0	33	-1.0	-42.31	308.27	3.74	-38.57
CC1=CC(S(=O)(=O)NC2CC(C)OC2C)=CN=C1C(=O)[O-]	REAL300007961149	0	38	-1.0	-50.50	319.62	2.00	-48.50
CC1CC(NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)O1	REAL300007961150	0	39	-1.0	-55.36	319.69	4.53	-50.83
CCOC1=CC=C(S(=O)(=O)NC2CC(C)OC2C)C=C1C(=O)[O-]	REAL300007961151	0	43	-1.0	-58.28	360.93	3.96	-54.32
CC1CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C)O1	REAL300007961152	0	43	-1.0	-51.57	356.92	4.85	-46.72
CC1CC(NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C(C)O1	REAL300007961153	0	35	-1.0	-45.01	294.32	2.29	-42.72
CC1CC(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)C(C)O1	REAL300007961154	0	41	-1.0	-55.03	349.88	3.58	-51.45
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007961155	0	39	-1.0	-48.16	313.75	4.60	-43.56
COC1CCC(C)N(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007961156	0	39	-1.0	-54.19	313.79	4.60	-49.59
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C1	REAL300007961157	0	42	-1.0	-54.11	324.82	5.12	-48.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(OC)CCC1C	REAL300007961158	0	43	-1.0	-53.65	343.04	4.45	-49.20
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300007961159	0	42	-1.0	-49.93	329.56	5.13	-44.80
COC1CCC(C)N(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300007961160	0	36	-1.0	-50.66	294.38	3.90	-46.76
COC1CCC(C)N(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007961161	0	39	-1.0	-54.19	313.79	4.60	-49.59
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007961162	0	39	-1.0	-48.16	313.75	4.60	-43.56
COC1CCC(C)N(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300007961163	0	39	-1.0	-54.26	300.56	4.85	-49.41
COC1CCC(C)N(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C1	REAL300007961164	0	37	-1.0	-49.30	302.62	2.31	-46.99
COC1CCC(C)N(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C1	REAL300007961165	0	39	-1.0	-50.23	317.47	2.82	-47.41
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300007961166	0	36	-1.0	-47.71	306.12	3.73	-43.98
COC1CCC(C)N(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300007961167	0	36	-1.0	-53.55	290.20	1.67	-51.88
COC1CCC(C)N(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300007961168	0	44	-1.0	-50.43	331.85	3.71	-46.72
COC1CCC(C)N(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300007961169	0	44	-1.0	-46.67	332.83	3.70	-42.97
COC1CCC(C)N(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300007961170	0	39	-1.0	-54.26	300.56	4.85	-49.41
COC1CCC(C)N(S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C1	REAL300007961171	0	39	-1.0	-47.56	317.28	5.36	-42.20
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300007961172	0	36	-1.0	-49.02	306.83	2.92	-46.10
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C1	REAL300007961173	0	39	-1.0	-48.83	317.05	3.44	-45.39
COC1CCC(C)N(S(=O)(=O)N2CCCC2C(=O)[O-])C1	REAL300007961174	0	41	-1.0	-50.04	311.00	3.30	-46.74
COC1CCC(C)N(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007961175	0	42	-1.0	-56.39	340.25	5.43	-50.96
COC1CCC(C)N(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300007961176	0	44	-1.0	-46.67	332.83	3.70	-42.97
COC1CCC(C)N(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300007961177	0	42	-1.0	-59.52	340.04	5.36	-54.16
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300007961178	0	36	-1.0	-49.02	306.83	2.92	-46.10
COC1CCC(C)N(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300007961179	0	43	-1.0	-49.69	344.36	4.99	-44.70
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC(OC)CCC1C	REAL300007961180	0	43	-1.0	-46.43	356.45	5.52	-40.91
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300007961181	0	36	-1.0	-48.07	307.05	3.63	-44.44
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C1	REAL300007961182	0	45	-1.0	-56.06	346.30	5.49	-50.57
COC1CCC(C)N(S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C1	REAL300007961183	0	42	-1.0	-59.32	325.02	5.52	-53.80
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(OC)CCC2C)=C1	REAL300007961184	0	46	-1.0	-52.41	369.33	4.30	-48.11
COC1CCC(C)N(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300007961185	0	36	-1.0	-49.30	305.38	3.64	-45.66
COC1CCC(C)N(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])C1	REAL300007961186	0	42	-1.0	-45.98	338.77	5.85	-40.13
COC1CCC(C)N(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C1	REAL300007961187	0	42	-1.0	-50.29	320.41	4.95	-45.34
COC1CCC(C)N(S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300007961188	0	42	-1.0	-53.85	332.45	6.29	-47.56
COC1CCC(C)N(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300007961189	0	42	-1.0	-46.35	335.93	5.38	-40.97
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)C1	REAL300007961190	0	44	-1.0	-42.70	352.50	5.61	-37.09
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C1	REAL300007961191	0	36	-1.0	-49.10	300.76	2.82	-46.28
COC1CCC(C)N(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300007961192	0	42	-1.0	-52.60	335.95	5.37	-47.23
COC1CCC(C)N(S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C1	REAL300007961193	0	39	-1.0	-51.80	319.95	3.80	-48.00
COC1CCC(C)N(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300007961194	0	38	-1.0	-47.53	308.93	2.76	-44.77
COC1CCC(C)N(S(=O)(=O)C2=CSN=C2C(=O)[O-])C1	REAL300007961195	0	35	-1.0	-54.80	288.92	2.38	-52.42
COC1CCC(C)N(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C1	REAL300007961196	0	35	-1.0	-65.49	300.49	2.52	-62.97
COC1CCC(C)N(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C1	REAL300007961197	0	38	-1.0	-56.81	296.52	3.07	-53.74
COC1CCC(C)N(S(=O)(=O)CCCCCC(=O)[O-])C1	REAL300007961198	0	44	-1.0	-51.72	345.26	4.83	-46.89
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300007961199	0	38	-1.0	-49.95	310.12	2.75	-47.20
COC1CCC(C)N(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300007961200	0	39	-1.0	-47.85	330.99	5.10	-42.75
COC1CCC(C)N(S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300007961201	0	39	-1.0	-47.91	335.55	5.19	-42.72
COC1=CC=C(S(=O)(=O)N2CC(OC)CCC2C)C=C1C(=O)[O-]	REAL300007961202	0	43	-1.0	-59.94	341.04	4.66	-55.28
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300007961203	0	42	-1.0	-47.51	329.77	5.13	-42.38
COC1CCC(C)N(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C1	REAL300007961204	0	44	-1.0	-51.98	343.98	4.74	-47.24
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(OC)CCC2C)=C1	REAL300007961205	0	46	-1.0	-52.41	369.33	4.30	-48.11
COC1CCC(C)N(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300007961206	0	39	-1.0	-47.85	330.99	5.10	-42.75
COC1CCC(C)N(S(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C1	REAL300007961207	0	39	-1.0	-50.59	303.66	4.70	-45.89
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C1	REAL300007961208	0	42	-1.0	-49.40	343.01	5.38	-44.02
COC1CCC(C)N(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])=C(C)C3=C2)C1	REAL300007961209	0	45	-1.0	-52.10	359.56	6.06	-46.04
COC1CCC(C)N(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007961210	0	42	-1.0	-56.39	340.25	5.43	-50.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(OC)CCC1C	REAL300007961211	0	43	-1.0	-53.65	343.04	4.45	-49.20
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300007961212	0	42	-1.0	-49.93	329.56	5.13	-44.80
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C1	REAL300007961213	0	42	-1.0	-54.11	324.82	5.12	-48.99
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(OC)CCC1C	REAL300007961214	0	43	-1.0	-44.76	346.30	4.68	-40.08
COC1CCC(C)N(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1	REAL300007961215	0	42	-1.0	-50.05	326.59	4.55	-45.50
COC1CCC(C)N(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300007961216	0	42	-1.0	-52.60	335.95	5.37	-47.23
COC1=C(S(=O)(=O)N2CC(OC)CCC2C)SC(C(=O)[O-])=C1	REAL300007961217	0	40	-1.0	-47.14	339.86	3.65	-43.49
COC1CCC(C)N(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C1	REAL300007961218	0	44	-1.0	-50.26	349.42	5.38	-44.88
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C1	REAL300007961219	0	42	-1.0	-46.85	343.87	5.40	-41.45
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C1	REAL300007961220	0	46	-1.0	-51.49	359.88	6.48	-45.01
CCC1=C(S(=O)(=O)N2CC(OC)CCC2C)C=C(C(=O)[O-])O1	REAL300007961221	0	42	-1.0	-51.46	335.37	4.39	-47.07
COC1CCC(C)N(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C1	REAL300007961222	0	41	-1.0	-58.55	340.16	6.20	-52.35
COC1CCC(C)N(S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)C1	REAL300007961223	0	42	-1.0	-51.93	350.56	6.21	-45.72
COC1CCC(C)N(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C1	REAL300007961224	0	41	-1.0	-42.29	328.71	5.51	-36.78
COC1CCC(C)N(S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C1	REAL300007961225	0	41	-1.0	-47.26	325.24	3.28	-43.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(OC)CCC1C	REAL300007961226	0	43	-1.0	-48.75	341.44	4.41	-44.34
COC1=CC(S(=O)(=O)N2CC(OC)CCC2C)=CC=C1C(=O)[O-]	REAL300007961227	0	43	-1.0	-53.38	341.02	4.67	-48.71
COC1=CC=C(S(=O)(=O)N2CC(OC)CCC2C)C(CC(=O)[O-])=C1	REAL300007961228	0	46	-1.0	-62.43	362.43	5.00	-57.43
COC1CCC(C)N(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C1	REAL300007961229	0	42	-1.0	-50.69	341.85	5.40	-45.29
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1	REAL300007961230	0	42	-1.0	-44.90	353.32	5.59	-39.31
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300007961231	0	48	-1.0	-51.86	366.45	6.35	-45.51
COC1CCC(C)N(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C1	REAL300007961232	0	39	-1.0	-49.95	312.80	2.92	-47.03
COC1CCC(C)N(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300007961233	0	45	-1.0	-50.14	347.61	6.52	-43.62
COC1CCC(C)N(S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C1	REAL300007961234	0	39	-1.0	-51.85	316.78	3.58	-48.27
COC1CCC(C)N(S(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])C1	REAL300007961235	0	39	-1.0	-47.48	321.84	5.46	-42.02
COC1CCC(C)N(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300007961236	0	39	-1.0	-51.34	326.78	4.98	-46.36
COC1CCC(C)N(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C1	REAL300007961237	0	36	-1.0	-61.15	299.61	3.15	-58.00
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC(OC)CCC2C)=C1	REAL300007961238	0	43	-1.0	-52.51	329.17	4.14	-48.37
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CC(OC)CCC2C)=C1OC	REAL300007961239	0	51	-1.0	-49.90	405.97	5.71	-44.19
COC1CCC(C)N(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300007961240	0	36	-1.0	-53.55	290.20	1.67	-51.88
COC1CCC(C)N(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C1	REAL300007961241	0	39	-1.0	-49.95	312.80	2.92	-47.03
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007961242	0	41	-2.0	-137.26	340.62	5.54	-131.72
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(OC)CCC1C	REAL300007961243	0	46	-1.0	-51.73	356.83	4.37	-47.36
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300007961244	0	38	-1.0	-48.43	312.10	3.24	-45.19
COC1CCC(C)N(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C1	REAL300007961245	0	42	-1.0	-59.62	329.04	5.89	-53.73
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007961246	0	36	-1.0	-45.39	313.74	3.27	-42.12
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300007961247	0	45	-1.0	-49.92	347.28	6.52	-43.40
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(OC)CCC1C	REAL300007961248	0	46	-1.0	-53.31	364.91	5.36	-47.95
COC1=CC=C(S(=O)(=O)N2CC(OC)CCC2C)C(C(=O)[O-])=C1	REAL300007961249	0	43	-1.0	-66.40	341.39	4.82	-61.58
COC1CCC(C)N(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300007961250	0	38	-1.0	-55.38	310.33	2.80	-52.58
COC1CCC(C)N(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300007961251	0	36	-1.0	-43.32	297.65	0.87	-42.45
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C1	REAL300007961252	0	39	-1.0	-53.62	321.11	2.40	-51.22
COC1CCC(C)N(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C1	REAL300007961253	0	45	-1.0	-51.13	359.72	6.85	-44.28
COC1CCC(C)N(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300007961254	0	42	-1.0	-54.11	311.57	4.73	-49.38
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C1	REAL300007961255	0	39	-1.0	-48.03	323.98	4.30	-43.73
COC1CCC(C)N(S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C1	REAL300007961256	0	45	-1.0	-57.67	345.49	7.08	-50.59
COC1CCC(C)N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007961257	0	42	-1.0	-45.26	334.16	5.70	-39.56
COC1CCC(C)N(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300007961258	0	42	-1.0	-61.43	334.78	5.64	-55.79
COC1CCC(C)N(S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300007961259	0	39	-1.0	-47.27	343.62	5.21	-42.06
COC1CCC(C)N(S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C1	REAL300007961260	0	42	-1.0	-63.50	341.99	3.68	-59.82
COC1CCC(C)N(S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C1	REAL300007961261	0	42	-1.0	-44.24	343.04	6.17	-38.07
COC1CCC(C)N(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300007961262	0	44	-1.0	-54.49	326.34	4.34	-50.15
COC1CCC(C)N(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300007961263	0	36	-1.0	-43.32	297.65	0.87	-42.45
COC1CCC(C)N(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300007961264	0	41	-1.0	-43.24	306.72	3.10	-40.14
COC1CCC(C)N(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300007961265	0	36	-1.0	-53.55	290.20	1.67	-51.88
COC1CCC(C)N(S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C1	REAL300007961266	0	36	-1.0	-45.40	311.39	4.53	-40.87
COC1CCC(C)N(S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C1	REAL300007961267	0	41	-1.0	-50.72	326.75	3.35	-47.37
COC1CCC(C)N(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300007961268	0	42	-1.0	-61.43	334.78	5.64	-55.79
CCOC1=CC=C(S(=O)(=O)N2CC(OC)CCC2C)C=C1C(=O)[O-]	REAL300007961269	0	46	-1.0	-60.32	362.89	5.57	-54.75
COC1CCC(C)N(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1	REAL300007961270	0	46	-1.0	-52.45	359.71	6.47	-45.98
COC1CCC(C)N(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C1	REAL300007961271	0	38	-1.0	-48.02	296.03	2.98	-45.04
COC1CCC(C)N(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)C1	REAL300007961272	0	44	-1.0	-53.94	355.51	4.96	-48.98
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300007961273	0	44	-1.0	-49.74	374.38	7.79	-41.95
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300007961274	0	44	-1.0	-54.06	374.40	7.78	-46.28
CC1=CC=C(CCCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=C1	REAL300007961275	0	47	-1.0	-55.81	389.03	8.69	-47.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCC1=CC=C(C)C=C1C	REAL300007961276	0	48	-1.0	-56.37	394.79	7.60	-48.77
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300007961277	0	47	-1.0	-53.48	390.44	8.31	-45.17
CC1=CC=C(CCCNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C(C)=C1	REAL300007961278	0	41	-1.0	-47.26	357.55	7.57	-39.69
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300007961279	0	44	-1.0	-54.06	374.40	7.78	-46.28
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300007961280	0	44	-1.0	-49.74	374.38	7.79	-41.95
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300007961281	0	44	-1.0	-50.49	363.59	8.64	-41.85
CC1=CC=C(CCCNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C(C)=C1	REAL300007961282	0	42	-1.0	-51.14	362.92	5.51	-45.63
CC1=CC=C(CCCNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C(C)=C1	REAL300007961283	0	44	-1.0	-50.32	378.96	5.90	-44.42
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)=C1	REAL300007961284	0	41	-1.0	-47.98	366.67	6.91	-41.07
CC1=CC=C(CCCNS(=O)(=O)C2=NNC=C2C(=O)[O-])C(C)=C1	REAL300007961285	0	41	-1.0	-52.38	350.50	4.82	-47.56
CC1=CC=C(CCCNS(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300007961286	0	49	-1.0	-49.23	389.82	6.80	-42.43
CC1=CC=C(CCCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)=C1	REAL300007961287	0	49	-1.0	-52.60	391.47	6.92	-45.68
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300007961288	0	44	-1.0	-50.49	363.59	8.64	-41.85
CC1=CC=C(CCCNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C(C)=C1	REAL300007961289	0	44	-1.0	-44.35	380.42	9.18	-35.17
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(C)=C1	REAL300007961290	0	41	-1.0	-49.51	359.15	6.15	-43.36
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)O1	REAL300007961291	0	44	-1.0	-50.32	377.37	6.62	-43.70
CC1=CC=C(CCCNS(=O)(=O)CCCC(=O)[O-])C(C)=C1	REAL300007961292	0	43	-1.0	-53.16	360.42	6.41	-46.75
CC1=CC=C(CCCNS(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1	REAL300007961293	0	46	-1.0	-58.27	374.20	6.92	-51.35
CC1=CC=C(CCCNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300007961294	0	47	-1.0	-59.24	398.18	8.50	-50.74
CC1=CC=C(CCCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)=C1	REAL300007961295	0	49	-1.0	-52.60	391.47	6.92	-45.68
CC1=CC=C(CCCNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300007961296	0	47	-1.0	-60.61	398.19	8.49	-52.12
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(C)=C1	REAL300007961297	0	41	-1.0	-49.51	359.15	6.15	-43.36
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1	REAL300007961298	0	48	-1.0	-49.40	405.47	8.06	-41.34
CC1=CC=C(CCCNS(=O)(=O)CCCC(=O)[O-])C(C)=C1	REAL300007961299	0	43	-1.0	-53.16	360.42	6.41	-46.75
CC1=CC=C(CCCNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)=C1	REAL300007961300	0	41	-1.0	-50.61	367.58	6.80	-43.81
CC1=CC=C(CCCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(C)=C1	REAL300007961301	0	50	-1.0	-56.78	405.95	9.20	-47.58
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C(C)=C1	REAL300007961302	0	47	-1.0	-54.61	391.05	8.83	-45.78
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)=C1	REAL300007961303	0	51	-1.0	-53.50	429.46	7.49	-46.01
CC1=CC=C(CCCNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)=C1	REAL300007961304	0	41	-1.0	-51.03	366.05	6.80	-44.23
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(C)=C1	REAL300007961305	0	47	-1.0	-49.68	383.57	8.52	-41.16
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)=C1	REAL300007961306	0	47	-1.0	-49.79	396.57	8.56	-41.23
CC1=CC=C(CCCNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C(C)=C1	REAL300007961307	0	41	-1.0	-49.94	359.40	5.89	-44.05
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)=C1	REAL300007961308	0	47	-1.0	-52.83	396.58	8.55	-44.28
CC1=C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)C=C(C(=O)[O-])O1	REAL300007961309	0	44	-1.0	-53.35	379.15	6.88	-46.47
CC1=CC=C(CCCNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C(C)=C1	REAL300007961310	0	43	-1.0	-48.09	369.56	5.97	-42.12
CC1=CC=C(CCCNS(=O)(=O)C2=CSN=C2C(=O)[O-])C(C)=C1	REAL300007961311	0	40	-1.0	-51.30	351.91	6.03	-45.27
CC1=CC=C(CCCNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(C)=C1	REAL300007961312	0	40	-1.0	-55.15	355.98	5.50	-49.65
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C(C)=C1	REAL300007961313	0	43	-1.0	-53.93	360.60	6.86	-47.07
CC1=CC=C(CCCNS(=O)(=O)CCCCCC(=O)[O-])C(C)=C1	REAL300007961314	0	49	-1.0	-54.40	403.42	7.97	-46.43
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C(C)=C1	REAL300007961315	0	43	-1.0	-51.61	370.26	5.99	-45.62
CC1=CC=C(CCCNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300007961316	0	44	-1.0	-48.53	391.12	8.29	-40.24
COC1=CC=C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)C=C1C(=O)[O-]	REAL300007961317	0	48	-1.0	-58.14	401.69	7.85	-50.29
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(C)=C1	REAL300007961318	0	47	-1.0	-48.97	390.40	8.32	-40.65
CC1=CC=C(CCCNS(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1	REAL300007961319	0	45	-1.0	-49.92	373.55	6.00	-43.92
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C(C)=C1	REAL300007961320	0	49	-1.0	-53.36	407.21	8.19	-45.17
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)=C1	REAL300007961321	0	51	-1.0	-53.50	429.46	7.49	-46.01
CC1=CC=C(CCCNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300007961322	0	44	-1.0	-48.53	391.12	8.29	-40.24
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCCC1=CC=C(C)C=C1C	REAL300007961323	0	44	-1.0	-49.96	374.96	8.38	-41.58
CC1=CC=C(CCCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C(C)=C1	REAL300007961324	0	47	-1.0	-50.37	402.91	9.10	-41.27
CC1=CC=C(CCCNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300007961325	0	47	-1.0	-59.24	398.18	8.50	-50.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCC1=CC=C(C)C=C1C	REAL300007961326	0	48	-1.0	-56.37	394.79	7.60	-48.77
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300007961327	0	47	-1.0	-53.48	390.44	8.31	-45.17
CC1=CC=C(CCCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(C)=C1	REAL300007961328	0	47	-1.0	-55.81	389.03	8.69	-47.12
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCCC1=CC=C(C)C=C1C	REAL300007961329	0	48	-1.0	-46.11	408.66	7.82	-38.29
CC1=CC=C(CCCNS(=O)(=O)CC2(CC(=O)[O-])CC2)C(C)=C1	REAL300007961330	0	47	-1.0	-48.05	384.97	7.65	-40.40
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)=C1	REAL300007961331	0	47	-1.0	-52.83	396.58	8.55	-44.28
COC1=C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)SC(C(=O)[O-])=C1	REAL300007961332	0	45	-1.0	-47.75	392.62	6.06	-41.69
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C(C)=C1	REAL300007961333	0	49	-1.0	-51.41	411.22	8.45	-42.96
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C)=C1	REAL300007961334	0	51	-1.0	-54.31	420.52	9.67	-44.64
CCC1=C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)C=C(C(=O)[O-])O1	REAL300007961335	0	47	-1.0	-52.95	398.74	7.69	-45.26
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1	REAL300007961336	0	46	-1.0	-44.83	391.84	9.32	-35.51
CC1=CC=C(CCCNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C(C)=C1	REAL300007961337	0	46	-1.0	-39.75	392.00	9.30	-30.45
CC1=CC=C(CCCNS(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C(C)=C1	REAL300007961338	0	46	-1.0	-46.30	385.83	6.50	-39.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCCC1=CC=C(C)C=C1C	REAL300007961339	0	48	-1.0	-49.33	394.82	7.61	-41.72
COC1=CC(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)=CC=C1C(=O)[O-]	REAL300007961340	0	48	-1.0	-54.91	401.66	7.86	-47.05
COC1=CC=C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)C(CC(=O)[O-])=C1	REAL300007961341	0	51	-1.0	-58.26	416.39	8.27	-49.99
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C(C)=C1	REAL300007961342	0	47	-1.0	-51.76	402.02	8.61	-43.15
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)=C1	REAL300007961343	0	53	-1.0	-51.59	429.31	9.46	-42.13
CC1=CC=C(CCCNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)=C1	REAL300007961344	0	44	-1.0	-50.35	366.38	6.12	-44.23
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(C)=C1	REAL300007961345	0	50	-1.0	-51.56	410.65	9.99	-41.57
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)=C1	REAL300007961346	0	44	-1.0	-50.47	377.11	6.75	-43.72
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)=C1	REAL300007961347	0	44	-1.0	-52.03	386.90	8.17	-43.86
CC1=CC=C(CCCNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C(C)=C1	REAL300007961348	0	41	-1.0	-53.74	351.61	6.64	-47.10
CC1=CC=C(CCCNS(=O)(=O)C2(C(=O)[O-])CCC2)C(C)=C1	REAL300007961349	0	44	-1.0	-44.02	359.25	6.99	-37.03
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)=C1	REAL300007961350	0	48	-1.0	-49.00	393.09	7.97	-41.03
CC1=CC=C(CCCNS(=O)(=O)C2=NNC=C2C(=O)[O-])C(C)=C1	REAL300007961351	0	41	-1.0	-52.38	350.50	4.82	-47.56
CC1=CC=C(CCCNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)=C1	REAL300007961352	0	44	-1.0	-50.35	366.38	6.12	-44.23
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007961353	0	46	-2.0	-136.03	401.25	8.74	-127.29
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCC1=CC=C(C)C=C1C	REAL300007961354	0	51	-1.0	-54.07	420.81	7.92	-46.15
CC1=CC=C(CCCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)=C1	REAL300007961355	0	43	-1.0	-50.87	367.85	6.10	-44.77
CC1=CC=C(CCCNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300007961356	0	47	-1.0	-56.82	388.14	8.93	-47.89
CC1=CC=C(CCCNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)=C1	REAL300007961357	0	41	-1.0	-46.73	374.04	6.44	-40.29
CC1=CC=C(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)=C1	REAL300007961357	1	40	-2.0	-95.72	371.82	6.05	-89.67
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C(C)=C1	REAL300007961358	0	50	-1.0	-51.54	410.32	10.00	-41.54
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCC1=CC=C(C)C=C1C	REAL300007961359	0	51	-1.0	-55.82	416.64	8.52	-47.30
COC1=CC=C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)C(C(=O)[O-])=C1	REAL300007961360	0	48	-1.0	-51.38	393.13	7.94	-43.44
CC1=CC=C(CCCNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C(C)=C1	REAL300007961361	0	43	-1.0	-56.19	370.46	5.99	-50.20
CC1=CC=C(CCCNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(C)=C1	REAL300007961362	0	41	-1.0	-44.11	357.88	4.03	-40.08
CC1=CC=C(CCCNS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C(C)=C1	REAL300007961363	0	44	-1.0	-54.82	375.90	5.53	-49.29
CC1=CC=C(CCCNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C(C)=C1	REAL300007961364	0	50	-1.0	-53.23	420.31	10.03	-43.20
CC1=CC=C(CCCNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300007961365	0	44	-1.0	-54.60	364.51	6.92	-47.68
CC1=CC=C(CCCNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300007961366	0	47	-1.0	-56.02	381.49	7.49	-48.53
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)S1	REAL300007961367	0	44	-1.0	-50.66	385.67	7.50	-43.16
CC1=CC=C(CCCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C)=C1	REAL300007961368	0	50	-1.0	-53.51	409.43	10.93	-42.58
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)=C1	REAL300007961369	0	47	-1.0	-57.44	387.04	8.93	-48.51
CC1=CC=C(CCCNS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C(C)=C1	REAL300007961370	0	47	-1.0	-60.92	400.15	6.53	-54.39
CC1=CC=C(CCCNS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C(C)=C1	REAL300007961371	0	47	-1.0	-45.69	400.97	9.02	-36.67
CC1=CC=C(CCCNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C(C)=C1	REAL300007961372	0	44	-1.0	-55.37	371.09	7.11	-48.26
CC1=CC=C(CCCNS(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007961373	0	49	-1.0	-50.85	381.41	7.81	-43.04
CC1=CC=C(CCCNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(C)=C1	REAL300007961374	0	41	-1.0	-44.11	357.88	4.03	-40.08
CC1=CC=C(CCCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007961375	0	46	-1.0	-58.31	374.24	6.92	-51.39
CC1=CC=C(CCCNS(=O)(=O)C2=NNC=C2C(=O)[O-])C(C)=C1	REAL300007961376	0	41	-1.0	-52.38	350.50	4.82	-47.56
CC1=CC=C(CCCNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C(C)=C1	REAL300007961377	0	41	-1.0	-42.31	374.55	8.18	-34.13
CC1=CC=C(CCCNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C(C)=C1	REAL300007961378	0	44	-1.0	-58.59	356.14	7.56	-51.03
CC1=CC=C(CCCNS(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C(C)=C1	REAL300007961379	0	46	-1.0	-52.27	386.79	6.54	-45.73
CC1=CC=C(CCCNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)=C1	REAL300007961380	0	47	-1.0	-57.44	387.04	8.93	-48.51
CCOC1=CC=C(S(=O)(=O)NCCCC2=CC=C(C)C=C2C)C=C1C(=O)[O-]	REAL300007961381	0	51	-1.0	-58.53	423.53	8.75	-49.78
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C)=C1	REAL300007961382	0	51	-1.0	-50.09	419.85	9.67	-40.42
CC1=CC=C(CCCNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C(C)=C1	REAL300007961383	0	43	-1.0	-44.92	359.22	6.84	-38.08
CC1=CC=C(CCCNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)C(C)=C1	REAL300007961384	0	49	-1.0	-56.53	416.15	8.16	-48.37
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007961385	0	50	-1.0	-48.26	419.53	8.87	-39.39
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007961386	0	50	-1.0	-52.37	419.55	8.86	-43.51
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007961387	0	53	-1.0	-54.78	434.20	9.77	-45.01
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007961388	0	54	-1.0	-54.65	439.93	8.68	-45.97
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007961389	0	53	-1.0	-51.90	435.58	9.40	-42.50
C=CCCCCCCCCCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007961390	0	47	-1.0	-46.13	402.70	8.65	-37.48
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007961391	0	50	-1.0	-52.37	419.55	8.86	-43.51
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007961392	0	50	-1.0	-48.26	419.53	8.87	-39.39
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007961393	0	50	-1.0	-49.48	408.80	9.73	-39.75
C=CCCCCCCCCCNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007961394	0	48	-1.0	-50.08	408.07	6.59	-43.49
C=CCCCCCCCCCNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007961395	0	50	-1.0	-51.07	424.09	6.99	-44.08
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007961396	0	47	-1.0	-46.79	411.80	7.99	-38.80
C=CCCCCCCCCCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007961397	0	47	-1.0	-51.19	395.66	5.90	-45.29
C=CCCCCCCCCCNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007961398	0	55	-1.0	-47.63	434.95	7.87	-39.76
C=CCCCCCCCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007961399	0	55	-1.0	-50.87	436.58	8.00	-42.87
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007961400	0	50	-1.0	-49.48	408.80	9.73	-39.75
C=CCCCCCCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007961401	0	50	-1.0	-43.26	425.66	10.24	-33.02
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007961402	0	47	-1.0	-48.74	404.30	7.22	-41.52
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007961403	0	50	-1.0	-49.05	422.52	7.70	-41.35
C=CCCCCCCCCCNS(=O)(=O)CCCC(=O)[O-]	REAL300007961404	0	49	-1.0	-51.34	405.56	7.49	-43.85
C=CCCCCCCCCCNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007961405	0	52	-1.0	-45.38	419.13	7.68	-37.70
C=CCCCCCCCCCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007961406	0	53	-1.0	-57.06	443.33	9.59	-47.47
C=CCCCCCCCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007961407	0	55	-1.0	-50.87	436.58	8.00	-42.87
C=CCCCCCCCCCNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007961408	0	53	-1.0	-58.66	443.33	9.57	-49.09
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007961409	0	47	-1.0	-48.74	404.30	7.22	-41.52
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007961410	0	54	-1.0	-47.90	450.63	9.15	-38.75
C=CCCCCCCCCCNS(=O)(=O)CCCC(=O)[O-]	REAL300007961411	0	49	-1.0	-51.34	405.56	7.49	-43.85
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007961412	0	47	-1.0	-49.02	412.73	7.89	-41.13
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007961413	0	56	-1.0	-55.79	451.09	10.28	-45.51
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300007961414	0	53	-1.0	-53.85	436.89	10.02	-43.83
C=CCCCCCCCCCNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007961415	0	57	-1.0	-52.74	474.62	8.57	-44.17
C=CCCCCCCCCCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007961416	0	47	-1.0	-50.75	411.20	7.88	-42.87
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300007961417	0	53	-1.0	-48.30	429.46	9.54	-38.76
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007961418	0	53	-1.0	-48.37	441.71	9.65	-38.72
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007961419	0	47	-1.0	-48.54	404.54	6.97	-41.57
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007961420	0	53	-1.0	-51.31	441.71	9.64	-41.67
C=CCCCCCCCCCNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300007961421	0	50	-1.0	-52.28	424.28	7.96	-44.32
C=CCCCCCCCCCNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007961422	0	49	-1.0	-46.43	414.71	7.06	-39.37
C=CCCCCCCCCCNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007961423	0	46	-1.0	-49.92	397.04	7.11	-42.81
C=CCCCCCCCCCNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007961424	0	46	-1.0	-53.72	401.10	6.58	-47.14
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007961425	0	49	-1.0	-52.73	405.74	7.94	-44.79
C=CCCCCCCCCCNS(=O)(=O)CCCCCC(=O)[O-]	REAL300007961426	0	55	-1.0	-52.54	448.56	9.05	-43.49
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007961427	0	49	-1.0	-50.28	415.40	7.07	-43.21
C=CCCCCCCCCCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007961428	0	50	-1.0	-46.93	436.26	9.37	-37.56
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300007961429	0	54	-1.0	-57.34	446.83	8.93	-48.41
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300007961430	0	53	-1.0	-47.50	435.56	9.41	-38.09
C=CCCCCCCCCCNS(=O)(=O)N(C)CCC(=O)[O-]	REAL300007961431	0	51	-1.0	-48.27	418.70	7.08	-41.19
C=CCCCCCCCCCNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007961432	0	57	-1.0	-52.74	474.62	8.57	-44.17
C=CCCCCCCCCCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007961433	0	50	-1.0	-46.93	436.26	9.37	-37.56
C=CCCCCCCCCCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300007961434	0	50	-1.0	-49.99	419.66	9.36	-40.63
C=CCCCCCCCCCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007961435	0	53	-1.0	-57.06	443.33	9.59	-47.47
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007961436	0	54	-1.0	-54.65	439.93	8.68	-45.97
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007961437	0	53	-1.0	-51.90	435.58	9.40	-42.50
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007961438	0	53	-1.0	-54.78	434.20	9.77	-45.01
C=CCCCCCCCCCNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007961439	0	53	-1.0	-46.66	430.12	8.73	-37.93
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007961440	0	53	-1.0	-51.31	441.71	9.64	-41.67
C=CCCCCCCCCCNS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300007961441	0	51	-1.0	-46.73	437.72	7.14	-39.59
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007961442	0	55	-1.0	-49.81	456.35	9.53	-40.28
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007961443	0	57	-1.0	-49.67	463.52	10.69	-38.98
C=CCCCCCCCCCNS(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300007961444	0	53	-1.0	-51.89	443.89	8.77	-43.12
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007961445	0	52	-1.0	-43.51	437.10	10.38	-33.13
C=CCCCCCCCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007961446	0	52	-1.0	-38.64	437.08	10.38	-28.26
C=CCCCCCCCCCNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300007961447	0	52	-1.0	-45.61	430.99	7.58	-38.03
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300007961448	0	54	-1.0	-47.98	439.97	8.69	-39.29
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007961449	0	54	-1.0	-53.39	446.81	8.94	-44.45
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300007961450	0	57	-1.0	-56.89	461.41	9.34	-47.55
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007961451	0	53	-1.0	-50.38	447.12	9.68	-40.70
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007961452	0	59	-1.0	-49.96	474.45	10.54	-39.42
C=CCCCCCCCCCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007961453	0	50	-1.0	-50.07	411.44	7.19	-42.88
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300007961454	0	50	-1.0	-49.74	422.26	7.83	-41.91
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007961455	0	50	-1.0	-49.74	432.06	9.25	-40.49
C=CCCCCCCCCCNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007961456	0	47	-1.0	-58.84	399.93	7.26	-51.58
C=CCCCCCCCCCNS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007961457	0	50	-1.0	-43.14	404.36	8.08	-35.06
C=CCCCCCCCCCNS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300007961458	0	54	-1.0	-47.92	438.32	9.03	-38.89
C=CCCCCCCCCCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007961459	0	47	-1.0	-51.19	395.66	5.90	-45.29
C=CCCCCCCCCCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007961460	0	50	-1.0	-50.07	411.44	7.19	-42.88
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007961461	0	52	-2.0	-134.18	446.41	9.82	-124.36
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300007961462	0	57	-1.0	-53.08	465.94	9.00	-44.08
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007961463	0	49	-1.0	-49.34	412.99	7.18	-42.16
C=CCCCCCCCCCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007961464	0	53	-1.0	-56.01	433.00	10.00	-46.01
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007961465	0	47	-1.0	-45.46	419.20	7.51	-37.95
C=CCCCCCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007961465	1	46	-2.0	-93.73	416.96	7.14	-86.59
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OCC	REAL300007961466	0	57	-1.0	-54.31	461.79	9.61	-44.70
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300007961467	0	54	-1.0	-50.18	438.23	9.03	-41.15
C=CCCCCCCCCCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007961468	0	49	-1.0	-54.51	415.61	7.08	-47.43
C=CCCCCCCCCCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007961469	0	47	-1.0	-42.98	403.02	5.11	-37.87
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007961470	0	50	-1.0	-53.83	421.06	6.61	-47.22
C=CCCCCCCCCCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007961471	0	50	-1.0	-52.60	409.67	8.00	-44.60
C=CCCCCCCCCCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007961472	0	53	-1.0	-54.22	426.43	8.55	-45.67
C=CCCCCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300007961473	0	50	-1.0	-49.11	430.81	8.58	-40.53
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007961474	0	53	-1.0	-56.03	432.06	10.01	-46.02
C=CCCCCCCCCCNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007961475	0	53	-1.0	-60.68	445.29	7.61	-53.07
C=CCCCCCCCCCNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007961476	0	53	-1.0	-44.58	446.14	10.09	-34.49
C=CCCCCCCCCCNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007961477	0	50	-1.0	-53.59	416.20	8.19	-45.40
C=CCCCCCCCCCNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007961478	0	55	-1.0	-49.44	426.56	8.93	-40.51
C=CCCCCCCCCCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007961479	0	47	-1.0	-42.98	403.02	5.11	-37.87
C=CCCCCCCCCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007961480	0	52	-1.0	-46.26	421.64	7.55	-38.71
C=CCCCCCCCCCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007961481	0	47	-1.0	-51.19	395.66	5.90	-45.29
C=CCCCCCCCCCNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007961482	0	47	-1.0	-41.09	419.70	9.28	-31.81
C=CCCCCCCCCCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007961483	0	50	-1.0	-56.68	399.91	8.60	-48.08
C=CCCCCCCCCCNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300007961484	0	52	-1.0	-50.90	432.22	7.62	-43.28
C=CCCCCCCCCCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007961485	0	53	-1.0	-56.03	432.06	10.01	-46.02
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300007961486	0	57	-1.0	-58.46	468.69	9.84	-48.62
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007961487	0	57	-1.0	-48.74	464.98	10.75	-37.99
C=CCCCCCCCCCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007961488	0	49	-1.0	-43.64	404.36	7.93	-35.71
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007961489	0	48	-1.0	-48.78	370.75	9.44	-39.34
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007961490	0	48	-1.0	-55.96	370.71	9.46	-46.50
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C(C)(C)C)CC2=CC=CC=C21	REAL300007961491	0	51	-1.0	-57.81	381.73	10.11	-47.70
CC1=CC=C(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007961492	0	51	-1.0	-55.72	386.73	9.97	-45.75
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300007961493	0	45	-1.0	-49.42	350.40	8.85	-40.57
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007961494	0	48	-1.0	-55.96	370.71	9.46	-46.50
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300007961495	0	48	-1.0	-48.78	370.75	9.44	-39.34
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300007961496	0	48	-1.0	-69.18	367.93	10.66	-58.52
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C1	REAL300007961497	0	46	-1.0	-50.80	359.81	7.15	-43.65
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C1	REAL300007961498	0	48	-1.0	-50.11	375.92	7.57	-42.54
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300007961499	0	45	-1.0	-47.77	363.19	8.59	-39.18
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300007961500	0	45	-1.0	-61.03	351.35	6.59	-54.44
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300007961501	0	48	-1.0	-69.18	367.93	10.66	-58.52
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300007961502	0	45	-1.0	-49.92	356.07	7.83	-42.09
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)O1	REAL300007961503	0	48	-1.0	-51.56	374.27	8.32	-43.24
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)CCCC(=O)[O-])C1	REAL300007961504	0	47	-1.0	-52.07	359.95	8.21	-43.86
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007961505	0	51	-1.0	-56.47	397.68	10.31	-46.16
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300007961506	0	51	-1.0	-58.78	397.72	10.28	-48.50
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300007961507	0	45	-1.0	-49.92	356.07	7.83	-42.09
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)CCCC(=O)[O-])C1	REAL300007961508	0	47	-1.0	-52.07	359.95	8.21	-43.86
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300007961509	0	45	-1.0	-51.83	364.18	8.49	-43.34
CC1=CC=CC(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)=C1C(=O)[O-]	REAL300007961510	0	51	-1.0	-60.50	381.03	10.43	-50.07
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300007961511	0	45	-1.0	-51.05	362.45	8.50	-42.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC(C(C)(C)C)CC2=CC=CC=C21	REAL300007961512	0	51	-1.0	-50.10	375.77	9.84	-40.26
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300007961513	0	51	-1.0	-49.55	392.94	10.20	-39.35
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C1	REAL300007961514	0	45	-1.0	-49.94	358.65	7.72	-42.22
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300007961515	0	51	-1.0	-54.32	392.88	10.20	-44.12
CC1=C(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300007961516	0	48	-1.0	-55.54	376.04	8.67	-46.87
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300007961517	0	47	-1.0	-49.11	365.84	7.64	-41.47
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CSN=C2C(=O)[O-])C1	REAL300007961518	0	44	-1.0	-67.07	356.03	7.72	-59.35
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C1	REAL300007961519	0	44	-1.0	-58.48	348.25	6.90	-51.58
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C1	REAL300007961520	0	47	-1.0	-71.84	364.68	8.85	-62.99
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)CCCCCC(=O)[O-])C1	REAL300007961521	0	53	-1.0	-52.61	402.94	9.77	-42.84
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300007961522	0	47	-1.0	-51.04	366.58	7.62	-43.42
CC1=CC(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300007961523	0	51	-1.0	-48.13	386.72	9.99	-38.14
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC(C(C)(C)C)CC2=CC=CC=C21	REAL300007961524	0	48	-1.0	-52.71	362.90	9.45	-43.26
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007961525	0	51	-1.0	-56.47	397.68	10.31	-46.16
CC1=CC=C(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007961526	0	51	-1.0	-55.72	386.73	9.97	-45.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C(C)(C)C)CC2=CC=CC=C21	REAL300007961527	0	51	-1.0	-57.81	381.73	10.11	-47.70
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1	REAL300007961528	0	51	-1.0	-50.42	384.16	9.46	-40.96
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300007961529	0	51	-1.0	-54.32	392.88	10.20	-44.12
CCC1=C(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300007961530	0	51	-1.0	-53.90	394.05	9.35	-44.55
CC1=NC=C(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007961531	0	50	-1.0	-46.27	382.17	8.14	-38.13
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC(C(C)(C)C)CC2=CC=CC=C21	REAL300007961532	0	48	-1.0	-52.98	363.42	7.60	-45.38
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)=C1	REAL300007961533	0	48	-1.0	-53.76	376.43	8.59	-45.17
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C1	REAL300007961534	0	45	-1.0	-57.04	350.07	8.42	-48.62
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2(C(=O)[O-])CCC2)C1	REAL300007961535	0	48	-1.0	-47.61	348.11	8.21	-39.40
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300007961536	0	45	-1.0	-61.03	351.35	6.59	-54.44
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC(C(C)(C)C)CC2=CC=CC=C21	REAL300007961537	0	48	-1.0	-52.98	363.42	7.60	-45.38
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007961538	0	45	-1.0	-47.14	370.93	8.13	-39.01
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300007961539	0	45	-1.0	-45.53	354.92	5.72	-39.81
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C(C)(C)C)CC2=CC=CC=C21	REAL300007961540	0	48	-1.0	-56.42	372.99	7.23	-49.19
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300007961541	0	48	-1.0	-54.28	359.80	8.57	-45.71
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300007961542	0	51	-1.0	-54.06	381.02	9.29	-44.77
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)S1	REAL300007961543	0	48	-1.0	-50.82	382.95	9.22	-41.60
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300007961544	0	51	-1.0	-61.09	381.14	10.41	-50.68
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C1	REAL300007961545	0	48	-1.0	-53.76	370.54	8.90	-44.86
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300007961546	0	45	-1.0	-45.53	354.92	5.72	-39.81
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	REAL300007961547	0	48	-1.0	-59.33	350.19	9.09	-50.24
CC1=CC(S(=O)(=O)N2CC(C(C)(C)C)CC3=CC=CC=C32)=CN=C1C(=O)[O-]	REAL300007961548	0	50	-1.0	-50.62	383.32	8.19	-42.43
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300007961549	0	51	-1.0	-61.09	381.14	10.41	-50.68
CC(C)(C)C1CC2=CC=CC=C2N(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C1	REAL300007961550	0	47	-1.0	-61.13	363.44	8.83	-52.30
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1	REAL300007961551	0	40	-1.0	-49.71	349.82	5.35	-44.36
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961552	0	40	-1.0	-52.65	349.79	5.36	-47.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961553	0	43	-1.0	-59.32	363.38	6.09	-53.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961554	0	44	-1.0	-55.96	362.74	5.08	-50.88
CC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007961555	0	43	-1.0	-52.05	365.85	5.89	-46.16
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=CS1	REAL300007961556	0	37	-1.0	-46.33	332.29	5.10	-41.23
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961557	0	40	-1.0	-52.65	349.79	5.36	-47.29
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1	REAL300007961558	0	40	-1.0	-49.71	349.82	5.35	-44.36
O=C([O-])C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961559	0	40	-1.0	-49.53	337.57	6.13	-43.40
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=CN1	REAL300007961560	0	38	-1.0	-51.04	338.38	3.07	-47.97
O=C([O-])CN1C=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=N1	REAL300007961561	0	40	-1.0	-52.80	354.42	3.48	-49.32
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)S1	REAL300007961562	0	37	-1.0	-48.36	342.06	4.49	-43.87
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961563	0	37	-1.0	-53.54	321.97	2.22	-51.32
O=C([O-])C1CCCN(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C1	REAL300007961564	0	45	-1.0	-50.12	367.74	4.53	-45.59
O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)CC1	REAL300007961565	0	45	-1.0	-53.34	366.83	4.50	-48.84
O=C([O-])C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961566	0	40	-1.0	-49.53	337.57	6.13	-43.40
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961567	0	40	-1.0	-43.56	354.33	6.66	-36.90
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)O1	REAL300007961568	0	37	-1.0	-51.80	334.60	3.72	-48.08
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)O1	REAL300007961569	0	40	-1.0	-49.63	354.39	4.25	-45.38
O=C([O-])CCCS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961570	0	39	-1.0	-53.36	335.34	3.96	-49.40
O=C([O-])C1CCCN1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961571	0	42	-1.0	-59.86	349.60	4.51	-55.35
O=C([O-])C1=CC=C(CS(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1	REAL300007961572	0	43	-1.0	-59.46	371.42	6.01	-53.45
O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)CC1	REAL300007961573	0	45	-1.0	-53.34	366.83	4.50	-48.84
O=C([O-])C1=CC=CC(CS(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961574	0	43	-1.0	-60.78	373.68	6.06	-54.72
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)O1	REAL300007961575	0	37	-1.0	-51.80	334.60	3.72	-48.08
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1	REAL300007961576	0	44	-1.0	-49.72	380.94	5.64	-44.08
O=C([O-])CCCS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961577	0	39	-1.0	-53.36	335.34	3.96	-49.40
O=C([O-])C1=CSC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961578	0	37	-1.0	-49.58	342.98	4.38	-45.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1C	REAL300007961579	0	46	-1.0	-58.71	380.67	6.74	-51.97
CC1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300007961580	0	43	-1.0	-53.28	364.30	6.45	-46.83
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961581	0	47	-1.0	-53.76	404.94	5.06	-48.70
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=CS1	REAL300007961582	0	37	-1.0	-51.32	341.53	4.38	-46.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961583	0	43	-1.0	-48.66	359.13	6.09	-42.57
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1	REAL300007961584	0	43	-1.0	-50.18	372.04	6.14	-44.04
O=C([O-])C1=COC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961585	0	37	-1.0	-49.31	334.80	3.47	-45.84
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961586	0	43	-1.0	-52.89	371.96	6.13	-46.76
CC1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300007961587	0	40	-1.0	-55.55	354.57	4.46	-51.09
O=C([O-])C1=CN=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961588	0	39	-1.0	-46.75	344.95	3.56	-43.19
O=C([O-])C1=NSC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961589	0	36	-1.0	-50.04	327.37	3.60	-46.44
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)SC=N1	REAL300007961590	0	36	-1.0	-54.21	331.37	3.07	-51.14
O=C([O-])C1=NC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961591	0	39	-1.0	-52.58	335.04	4.40	-48.18
O=C([O-])CCCCCS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961592	0	45	-1.0	-54.95	376.65	5.47	-49.48
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=N1	REAL300007961593	0	39	-1.0	-51.52	345.72	3.55	-47.97
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961594	0	40	-1.0	-47.51	366.54	5.86	-41.65
COC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007961595	0	44	-1.0	-59.95	377.10	5.43	-54.52
CC1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007961596	0	43	-1.0	-50.63	369.92	6.00	-44.63
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961597	0	41	-1.0	-49.22	349.53	3.55	-45.67
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N[C@@H]3CCO[C@H]3C3=CC=CC=C3)C=CC=C12	REAL300007961598	0	45	-1.0	-52.87	382.60	5.76	-47.11
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961599	0	47	-1.0	-53.76	404.94	5.06	-48.70
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961600	0	40	-1.0	-47.51	366.54	5.86	-41.65
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961601	0	40	-1.0	-48.76	350.13	5.96	-42.80
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961602	0	43	-1.0	-53.50	378.87	6.65	-46.85
O=C([O-])C1=CC=C(CS(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1	REAL300007961603	0	43	-1.0	-59.46	371.42	6.01	-53.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961604	0	44	-1.0	-55.96	362.74	5.08	-50.88
CC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007961605	0	43	-1.0	-52.05	365.85	5.89	-46.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961606	0	43	-1.0	-59.32	363.38	6.09	-53.23
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961607	0	44	-1.0	-47.10	383.25	5.34	-41.76
O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)CC1	REAL300007961608	0	43	-1.0	-48.44	359.69	5.24	-43.20
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961609	0	43	-1.0	-52.89	371.96	6.13	-46.76
COC1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)SC(C(=O)[O-])=C1	REAL300007961610	0	41	-1.0	-49.13	359.95	3.78	-45.35
O=C([O-])C1CC2=CC(S(=O)(=O)N[C@@H]3CCO[C@H]3C3=CC=CC=C3)=CC=C2O1	REAL300007961611	0	45	-1.0	-50.89	386.69	6.03	-44.86
O=C([O-])C1(C2=CC=C(S(=O)(=O)N[C@@H]3CCO[C@H]3C3=CC=CC=C3)C=C2)CC1	REAL300007961612	0	47	-1.0	-53.37	395.53	7.23	-46.14
CCC1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300007961613	0	43	-1.0	-54.91	374.17	5.26	-49.65
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961614	0	42	-1.0	-43.40	367.25	6.88	-36.52
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961615	0	42	-1.0	-39.03	365.98	6.82	-32.21
CC1=NC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007961616	0	42	-1.0	-48.79	361.34	4.06	-44.73
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961617	0	44	-1.0	-48.71	364.29	5.14	-43.57
COC1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007961618	0	44	-1.0	-54.69	377.13	5.41	-49.28
COC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C(CC(=O)[O-])=C1	REAL300007961619	0	47	-1.0	-57.96	391.73	5.85	-52.11
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1F	REAL300007961620	0	43	-1.0	-48.96	377.46	6.17	-42.79
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1	REAL300007961621	0	49	-1.0	-51.40	404.75	7.02	-44.38
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961622	0	40	-1.0	-53.75	340.20	3.63	-50.12
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N[C@@H]3CCO[C@H]3C3=CC=CC=C3)C=CC=C12	REAL300007961623	0	46	-1.0	-50.97	385.31	7.53	-43.44
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961624	0	40	-1.0	-51.70	352.52	4.33	-47.37
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=CC=C1Cl	REAL300007961625	0	40	-1.0	-50.77	362.37	5.75	-45.02
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)OC=C1	REAL300007961626	0	37	-1.0	-53.14	327.00	4.22	-48.92
O=C([O-])C1(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)CCC1	REAL300007961627	0	40	-1.0	-42.59	327.29	4.32	-38.27
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961628	0	44	-1.0	-48.15	367.33	5.46	-42.69
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961629	0	37	-1.0	-53.54	321.97	2.22	-51.32
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961630	0	40	-1.0	-53.75	340.20	3.63	-50.12
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007961631	0	42	-2.0	-136.97	376.66	6.31	-130.66
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961632	0	47	-1.0	-56.09	394.55	5.43	-50.66
O=C([O-])C1=CC=NC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961633	0	39	-1.0	-51.45	340.09	3.95	-47.50
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961634	0	43	-1.0	-56.46	363.65	6.47	-49.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961635	0	37	-1.0	-46.35	349.45	4.02	-42.33
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961635	1	36	-2.0	-95.38	342.94	3.78	-91.60
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C2=CC=CC=C12	REAL300007961636	0	46	-1.0	-52.17	385.83	7.58	-44.59
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961637	0	47	-1.0	-55.48	382.15	5.89	-49.59
COC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300007961638	0	44	-1.0	-49.97	367.10	5.47	-44.50
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=CC=N1	REAL300007961639	0	39	-1.0	-54.75	345.94	3.58	-51.17
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=NN1	REAL300007961640	0	37	-1.0	-44.24	333.27	1.61	-42.63
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961641	0	40	-1.0	-56.22	351.35	3.10	-53.12
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N[C@@H]3CCO[C@H]3C3=CC=CC=C3)C=C2C=C1	REAL300007961642	0	46	-1.0	-53.47	395.75	7.60	-45.87
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C1	REAL300007961643	0	40	-1.0	-54.61	339.31	4.45	-50.16
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C1	REAL300007961644	0	43	-1.0	-55.44	352.81	4.90	-50.54
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)S1	REAL300007961645	0	40	-1.0	-49.64	361.07	5.08	-44.56
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961646	0	46	-1.0	-51.81	383.08	8.43	-43.38
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961647	0	43	-1.0	-57.18	359.63	6.44	-50.74
O=C([O-])C1=NC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=C2C=CC=CN12	REAL300007961648	0	43	-1.0	-61.70	372.81	4.32	-57.38
O=C([O-])C1=CN2C=NC(S(=O)(=O)N[C@@H]3CCO[C@H]3C3=CC=CC=C3)=C2C=C1	REAL300007961649	0	43	-1.0	-45.62	376.39	6.60	-39.02
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961650	0	40	-1.0	-56.48	346.59	4.68	-51.80
O=C([O-])C1CCCCN1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961651	0	45	-1.0	-50.79	346.04	5.04	-45.75
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=NN1	REAL300007961652	0	37	-1.0	-44.24	333.27	1.61	-42.63
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961653	0	42	-1.0	-59.81	348.95	4.49	-55.32
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961654	0	37	-1.0	-53.54	321.97	2.22	-51.32
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C(Cl)S1	REAL300007961655	0	37	-1.0	-41.59	349.80	5.74	-35.85
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961656	0	40	-1.0	-59.33	329.15	5.06	-54.27
CC1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300007961657	0	42	-1.0	-51.58	362.46	4.12	-47.46
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961658	0	43	-1.0	-57.18	359.63	6.44	-50.74
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007961659	0	47	-1.0	-60.36	398.95	6.33	-54.03
O=C([O-])C1CC2=CC=C(S(=O)(=O)N[C@@H]3CCO[C@H]3C3=CC=CC=C3)C=C2C1	REAL300007961660	0	47	-1.0	-50.23	393.93	7.22	-43.01
O=C([O-])C1=CC=NC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300007961661	0	39	-1.0	-43.91	333.44	4.34	-39.57
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N[C@@H]3CCO[C@H]3C3=CC=CC=C3)C=C2C=C1	REAL300007961662	0	45	-1.0	-56.17	391.60	5.72	-50.45
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C1	REAL300007961663	0	40	-1.0	-48.99	365.65	5.85	-43.14
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961664	0	40	-1.0	-53.65	366.52	5.88	-47.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961665	0	43	-1.0	-59.04	380.13	6.61	-52.43
CC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300007961666	0	43	-1.0	-51.57	382.52	6.41	-45.16
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=CS1	REAL300007961667	0	37	-1.0	-44.64	349.01	5.62	-39.02
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961668	0	40	-1.0	-53.65	366.52	5.88	-47.77
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C1	REAL300007961669	0	40	-1.0	-48.99	365.65	5.85	-43.14
O=C([O-])C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961670	0	40	-1.0	-47.77	355.87	6.69	-41.08
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=CN1	REAL300007961671	0	38	-1.0	-52.45	355.12	3.60	-48.85
O=C([O-])CN1C=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=N1	REAL300007961672	0	40	-1.0	-52.57	371.17	4.01	-48.56
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)S1	REAL300007961673	0	37	-1.0	-48.71	358.85	5.01	-43.70
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961674	0	37	-1.0	-51.05	342.66	2.90	-48.15
O=C([O-])C1CCCN(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300007961675	0	45	-1.0	-49.90	384.75	5.05	-44.85
O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)CC1	REAL300007961676	0	45	-1.0	-52.75	383.51	5.02	-47.73
O=C([O-])C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961677	0	40	-1.0	-47.77	355.87	6.69	-41.08
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)O1	REAL300007961678	0	37	-1.0	-51.30	351.39	4.23	-47.07
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)O1	REAL300007961679	0	40	-1.0	-49.75	371.25	4.75	-45.00
O=C([O-])CCCS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961680	0	39	-1.0	-53.54	351.99	4.45	-49.09
O=C([O-])C1CCCN1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961681	0	42	-1.0	-59.46	365.98	4.84	-54.62
O=C([O-])C1=CC=C(CS(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C1	REAL300007961682	0	43	-1.0	-59.96	389.79	6.56	-53.40
O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)CC1	REAL300007961683	0	45	-1.0	-52.75	383.51	5.02	-47.73
O=C([O-])C1=CC=CC(CS(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961684	0	43	-1.0	-60.39	389.87	6.56	-53.83
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)O1	REAL300007961685	0	37	-1.0	-51.30	351.39	4.23	-47.07
O=C([O-])CCCS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961686	0	39	-1.0	-53.54	351.99	4.45	-49.09
O=C([O-])C1=CSC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961687	0	37	-1.0	-49.55	359.79	4.90	-44.65
CC1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1C(=O)[O-]	REAL300007961688	0	43	-1.0	-51.18	381.07	6.85	-44.33
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=CS1	REAL300007961689	0	37	-1.0	-51.80	358.17	4.91	-46.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961690	0	43	-1.0	-47.82	374.02	6.53	-41.29
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C1	REAL300007961691	0	43	-1.0	-49.39	387.83	6.63	-42.76
O=C([O-])C1=COC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961692	0	37	-1.0	-49.48	351.60	3.97	-45.51
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961693	0	43	-1.0	-51.83	388.68	6.65	-45.18
CC1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C(C(=O)[O-])O1	REAL300007961694	0	40	-1.0	-55.68	371.84	4.97	-50.71
O=C([O-])C1=CN=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961695	0	39	-1.0	-46.43	361.66	4.08	-42.35
O=C([O-])C1=NSC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961696	0	36	-1.0	-48.49	343.31	4.08	-44.41
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)SC=N1	REAL300007961697	0	36	-1.0	-53.06	348.17	3.58	-49.48
O=C([O-])C1=NC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961698	0	39	-1.0	-50.84	351.88	4.90	-45.94
O=C([O-])CCCCCS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961699	0	45	-1.0	-55.21	394.99	6.02	-49.19
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=N1	REAL300007961700	0	39	-1.0	-51.37	362.47	4.08	-47.29
CC1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300007961701	0	43	-1.0	-50.50	386.39	6.51	-43.99
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961702	0	41	-1.0	-47.66	356.23	3.65	-44.01
O=C([O-])C1=CC=C(CS(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C1	REAL300007961703	0	43	-1.0	-59.96	389.79	6.56	-53.40
CC1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300007961704	0	43	-1.0	-51.57	382.52	6.41	-45.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961705	0	43	-1.0	-59.04	380.13	6.61	-52.43
O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)CC1	REAL300007961706	0	43	-1.0	-50.59	375.85	5.66	-44.93
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961707	0	43	-1.0	-51.83	388.68	6.65	-45.18
CCC1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C(C(=O)[O-])O1	REAL300007961708	0	43	-1.0	-54.72	390.84	5.78	-48.94
CC1=NC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300007961709	0	42	-1.0	-45.80	377.95	4.60	-41.20
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961710	0	40	-1.0	-52.46	356.93	4.15	-48.31
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961711	0	40	-1.0	-52.27	369.33	4.83	-47.44
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)OC=C1	REAL300007961712	0	37	-1.0	-61.42	343.04	4.21	-57.21
O=C([O-])C1(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)CCC1	REAL300007961713	0	40	-1.0	-40.51	344.31	4.87	-35.64
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961714	0	37	-1.0	-51.05	342.66	2.90	-48.15
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961715	0	40	-1.0	-52.46	356.93	4.15	-48.31
O=C([O-])C1=CC=NC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300007961716	0	39	-1.0	-47.97	362.80	3.98	-43.99
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961717	0	43	-1.0	-55.17	379.77	7.00	-48.17
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=CC=N1	REAL300007961718	0	39	-1.0	-57.01	362.66	4.10	-52.91
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=NN1	REAL300007961719	0	37	-1.0	-44.51	350.08	2.12	-42.39
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961720	0	40	-1.0	-53.92	365.97	3.62	-50.30
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300007961721	0	40	-1.0	-53.70	354.43	4.94	-48.76
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300007961722	0	43	-1.0	-56.39	371.01	5.45	-50.94
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961723	0	43	-1.0	-56.43	379.02	7.05	-49.38
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961724	0	40	-1.0	-56.27	363.30	5.20	-51.07
O=C([O-])C1CCCCN1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961725	0	45	-1.0	-48.91	371.92	5.81	-43.10
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=NN1	REAL300007961726	0	37	-1.0	-44.51	350.08	2.12	-42.39
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961727	0	42	-1.0	-59.12	366.33	5.03	-54.09
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961728	0	37	-1.0	-51.05	342.66	2.90	-48.15
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961729	0	40	-1.0	-59.57	345.29	5.64	-53.93
CC1=CC(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)=CN=C1C(=O)[O-]	REAL300007961730	0	42	-1.0	-51.96	378.98	4.64	-47.32
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961731	0	43	-1.0	-56.43	379.02	7.05	-49.38
O=C([O-])C1=CC=NC=C1S(=O)(=O)N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1	REAL300007961732	0	39	-1.0	-42.11	350.40	4.89	-37.22
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007961733	0	37	-1.0	-58.31	328.02	4.76	-53.55
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300007961734	0	44	-1.0	-53.48	366.72	6.79	-46.69
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007961735	0	29	-1.0	-40.22	299.89	3.90	-36.32
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007961736	0	39	-1.0	-46.98	340.00	4.76	-42.22
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007961737	0	35	-1.0	-54.96	314.92	5.41	-49.55
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007961738	0	36	-1.0	-44.00	333.49	4.64	-39.36
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007961739	0	38	-1.0	-58.85	348.75	1.72	-57.13
C=C(C)CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007961740	0	36	-1.0	-49.09	334.03	4.00	-45.09
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007961741	0	43	-1.0	-56.05	352.23	3.97	-52.08
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007961742	0	35	-1.0	-51.18	311.39	5.54	-45.64
C=C(C)CC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007961743	0	43	-1.0	-41.40	342.29	4.59	-36.81
C=C(C)CC(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007961744	0	38	-1.0	-55.19	320.46	3.09	-52.10
C=C(C)CC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007961745	0	48	-1.0	-53.26	388.88	8.16	-45.10
C=C(C)CC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007961746	0	38	-1.0	-53.23	331.44	3.49	-49.74
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007961747	0	32	-1.0	-54.25	296.33	4.79	-49.46
C=C(C)CC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007961748	0	32	-1.0	-50.45	308.06	4.99	-45.46
C=C(C)CC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007961749	0	37	-1.0	-47.02	320.55	6.52	-40.50
C=C(C)CC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007961750	0	38	-1.0	-40.73	348.12	6.20	-34.53
C=C(C)CC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007961751	0	42	-1.0	-44.58	368.75	0.73	-43.85
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007961752	0	43	-1.0	-51.62	370.24	6.05	-45.57
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007961753	0	35	-1.0	-42.53	316.46	4.97	-37.56
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007961754	0	38	-1.0	-52.71	330.18	4.64	-48.07
C=C(C)CC(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007961755	0	39	-1.0	-54.54	343.12	3.93	-50.61
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300007961756	0	38	-1.0	-49.21	335.89	1.87	-47.34
C=C(C)CC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007961757	0	41	-1.0	-66.55	372.88	2.43	-64.12
C=C(C)CC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007961758	0	37	-1.0	-47.50	334.98	0.22	-47.28
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007961759	0	42	-1.0	-54.40	340.31	4.82	-49.58
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007961760	0	37	-1.0	-57.11	339.87	4.95	-52.16
C=C(C)CC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007961761	0	35	-1.0	-39.38	331.19	5.53	-33.85
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007961762	0	37	-1.0	-53.15	327.89	4.62	-48.53
C=C(C)CC(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007961763	0	42	-1.0	-42.86	363.89	-0.03	-42.89
C=C(C)CC(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007961764	0	41	-1.0	-52.72	325.13	2.11	-50.61
C=C(C)CC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007961765	0	41	-1.0	-55.96	354.47	5.41	-50.55
C=C(C)CC(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300007961766	0	41	-1.0	-50.42	342.75	4.00	-46.42
C=C(C)CC(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007961767	0	38	-1.0	-44.40	333.39	3.32	-41.08
C=C(C)CC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007961768	0	41	-1.0	-52.86	349.66	6.04	-46.82
C=C(C)CC(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007961769	0	38	-1.0	-51.83	327.41	5.43	-46.40
C=C(C)CC(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007961770	0	38	-1.0	-62.45	333.39	2.70	-59.75
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007961771	0	44	-1.0	-56.31	330.96	6.38	-49.93
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007961772	0	45	-1.0	-49.99	389.61	7.04	-42.95
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007961773	0	40	-1.0	-52.47	355.10	3.64	-48.83
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007961774	0	40	-1.0	-52.68	353.01	3.80	-48.88
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007961775	0	35	-1.0	-54.25	327.45	5.38	-48.87
C=C(C)CC(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007961776	0	35	-1.0	-50.77	301.28	4.84	-45.93
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007961777	0	38	-1.0	-43.34	345.68	7.07	-36.27
C=C(C)CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007961778	0	37	-1.0	-50.01	334.06	5.57	-44.44
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007961779	0	36	-1.0	-51.26	332.18	4.01	-47.25
C=C(C)CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007961780	0	39	-1.0	-52.40	344.49	5.55	-46.85
C=C(C)CC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007961781	0	47	-1.0	-54.83	382.11	5.51	-49.32
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007961782	0	35	-1.0	-52.85	319.20	5.12	-47.73
C=C(C)CC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007961783	0	43	-1.0	-48.91	368.83	3.95	-44.96
CC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1N(C)C	REAL300007972001	0	46	-1.0	-60.72	383.73	7.72	-53.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1N(C)C	REAL300007972001	1	45	-2.0	-131.95	381.44	7.77	-124.18
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CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972004	0	46	-2.0	-128.44	382.98	7.71	-120.73
COC(C)CS(=O)(=O)NC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972005	0	38	-1.0	-50.56	329.06	5.12	-45.44
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C12	REAL300007972006	0	41	-2.0	-116.36	368.07	4.84	-111.52
CCC1=NOC2=NC=C(S(=O)(=O)NC3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C12	REAL300007972006	1	42	-1.0	-63.54	374.81	4.72	-58.82
CN1N=CC2=CC(S(=O)(=O)NC3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CN=C21	REAL300007972007	0	40	-1.0	-66.00	353.98	6.23	-59.77
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CN=C21	REAL300007972007	1	39	-2.0	-122.35	351.19	6.26	-116.09
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COC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1F	REAL300007972009	0	42	-1.0	-60.45	359.77	7.22	-53.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1F	REAL300007972009	1	41	-2.0	-124.75	356.50	7.27	-117.48
CC1(CS(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)CCCCC1	REAL300007972010	0	47	-1.0	-63.09	359.42	8.60	-54.49
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)=CC2=CC=CC=C21	REAL300007972011	0	44	-1.0	-56.09	367.05	8.07	-48.02
CN1N=NC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972012	0	33	-2.0	-114.21	301.24	3.55	-110.66
CC1=CC=C(CS(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(F)=C1	REAL300007972013	0	41	-1.0	-64.36	363.87	8.41	-55.95
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972014	0	47	0.0	-87.53	387.99	9.00	-78.53
C[NH+](C)CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972014	1	46	-1.0	-146.67	385.19	9.02	-137.65
O=C([O-])C1=CC(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)=CC2=CC=CC=C21	REAL300007972015	0	48	-1.0	-65.31	398.10	10.44	-54.87
CC(C)(C)C1=CC(CS(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=NO1	REAL300007972016	0	46	-1.0	-71.17	391.43	7.83	-63.34
O=C([O-])C1=CC(NS(=O)(=O)CCC2CCC2)=CC2=CC=CC=C21	REAL300007972017	0	41	-1.0	-62.08	343.14	7.67	-54.41
CC(C)(C)CCCS(=O)(=O)NC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972018	0	46	-1.0	-49.46	375.29	7.95	-41.51
O=C([O-])C1=CC(NS(=O)(=O)CC2CCCS(=O)(=O)C2)=CC2=CC=CC=C21	REAL300007972019	0	44	-1.0	-58.73	374.68	4.11	-54.62
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC2=CC=CC=C21	REAL300007972020	0	37	-2.0	-124.55	343.02	7.59	-116.96
CC1=C(CCS(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)SC=N1	REAL300007972021	0	40	-1.0	-63.52	358.80	6.35	-57.17
COCC1(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)CC1	REAL300007972022	0	39	-1.0	-62.98	335.33	6.11	-56.87
O=C([O-])C1=CC(NS(=O)(=O)CC23CCC(CC2)C3)=CC2=CC=CC=C21	REAL300007972023	0	45	-1.0	-63.47	358.25	8.49	-54.98
O=C([O-])C1=CC(NS(=O)(=O)CC2CC(F)(F)C2)=CC2=CC=CC=C21	REAL300007972024	0	38	-1.0	-64.17	334.66	7.09	-57.08
O=C([O-])C1=CC(NS(=O)(=O)CC23CCC(CC2)CC3)=CC2=CC=CC=C21	REAL300007972025	0	48	-1.0	-63.70	366.78	9.15	-54.55
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CC(C)(CCS(=O)(=O)NC1=CC2=CC=CC=C2C(C(=O)[O-])=C1)S(C)(=O)=O	REAL300007972027	0	46	-1.0	-61.61	386.46	4.11	-57.50
O=C([O-])C1=CC(NS(=O)(=O)CC2CCCCC2(F)F)=CC2=CC=CC=C21	REAL300007972028	0	44	-1.0	-56.66	363.42	7.91	-48.75
O=C([O-])C1=CC(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=CC2=CC=CC=C21	REAL300007972029	0	42	-1.0	-61.06	360.05	9.26	-51.80
CN1C=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300007972030	0	34	-2.0	-135.49	311.68	4.67	-130.82
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C(Cl)C=C2)=CC2=CC=CC=C21	REAL300007972031	0	35	-1.0	-60.18	326.35	7.61	-52.57
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC2=CC=CC=C21	REAL300007972031	1	34	-2.0	-123.20	323.56	7.65	-115.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300007972032	0	36	-2.0	-116.49	335.05	7.79	-108.70
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300007972032	1	37	-1.0	-60.57	337.84	7.76	-52.81
O=C([O-])C1=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC2=CC=CC=C21	REAL300007972033	0	41	-1.0	-65.12	355.58	9.38	-55.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC2=CC=CC=C21	REAL300007972033	1	40	-2.0	-133.93	352.77	9.41	-124.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC2=CC=CC=C21	REAL300007972034	0	36	-2.0	-126.71	335.05	7.79	-118.92
O=C([O-])C1=CC(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=CC2=CC=CC=C21	REAL300007972034	1	37	-1.0	-76.38	337.84	7.76	-68.62
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972035	0	40	-1.0	-76.51	353.40	8.54	-67.97
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972035	1	39	-2.0	-128.17	350.54	8.56	-119.61
COC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972036	0	39	-1.0	-63.96	339.11	6.39	-57.57
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CC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972038	0	38	-1.0	-63.25	331.03	7.77	-55.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972038	1	37	-2.0	-131.33	328.24	7.79	-123.54
CCOC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972039	0	42	-1.0	-63.74	360.96	7.32	-56.42
CC1=CC(C)=C(C)C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300007972040	0	47	-1.0	-54.51	369.00	9.36	-45.15
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300007972040	1	46	-2.0	-131.77	370.88	9.88	-121.89
CC1=CC(C)=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1	REAL300007972041	0	44	-1.0	-54.95	356.35	8.89	-46.06
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972042	0	50	-1.0	-67.16	401.39	10.21	-56.95
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972042	1	49	-2.0	-134.20	398.53	10.21	-123.99
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CC1=CC=CC(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972044	0	38	-1.0	-63.89	331.03	7.76	-56.13
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972044	1	37	-2.0	-132.17	328.24	7.78	-124.39
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O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=CC2=CC=CC=C21	REAL300007972047	1	34	-2.0	-126.80	323.56	7.64	-119.16
CC(=O)C1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972048	0	40	-1.0	-70.45	352.37	7.58	-62.87
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972048	1	39	-2.0	-128.32	347.30	7.53	-120.79
CC1=CC=C(C)C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972049	0	41	-1.0	-65.74	346.59	8.55	-57.19
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972049	1	40	-2.0	-132.63	343.73	8.57	-124.06
CC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300007972050	0	41	-1.0	-66.17	355.63	8.33	-57.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300007972050	1	40	-2.0	-133.10	345.25	8.32	-124.78
CC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1	REAL300007972051	0	41	-1.0	-65.34	346.59	8.54	-56.80
CC(C)(C)C1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972052	0	47	-1.0	-62.80	385.83	9.42	-53.38
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972052	1	46	-2.0	-130.36	383.03	9.44	-120.92
CC(C)C1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972053	0	44	-1.0	-62.83	369.85	9.02	-53.81
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972053	1	43	-2.0	-130.32	367.07	9.05	-121.27
CCCCS(=O)(=O)NC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972054	0	37	-1.0	-49.60	320.06	6.26	-43.34
CCCC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972055	0	44	-1.0	-62.86	374.01	9.31	-53.55
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972055	1	43	-2.0	-130.39	371.22	9.34	-121.05
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972056	0	38	-2.0	-138.82	335.09	6.92	-131.90
COC1=CC=CC=C1S(=O)(=O)NC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972056	1	39	-1.0	-65.62	337.92	6.88	-58.74
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CC1=C(C)C(C)=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1C	REAL300007972058	0	50	-1.0	-55.95	382.38	9.74	-46.21
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CC1=CC=C(S(=O)(=O)NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007972060	0	40	-1.0	-75.01	361.00	8.30	-66.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007972060	1	39	-2.0	-127.74	351.13	8.32	-119.42
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972061	0	37	-2.0	-122.82	323.04	4.96	-117.86
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CC1(C)CCC(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972421	0	51	-1.0	-51.44	394.45	9.73	-41.71
CC1(C)CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(C2=CC=CC=C2)C1	REAL300007972422	0	48	-1.0	-49.64	382.22	7.97	-41.67
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC(C)(C)CC2C2=CC=CC=C2)O1	REAL300007972423	0	51	-1.0	-51.03	402.06	8.52	-42.51
CC1(C)CCC(NS(=O)(=O)CCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972424	0	50	-1.0	-52.69	389.52	7.50	-45.19
CC1(C)CCC(NS(=O)(=O)N2CCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972425	0	53	-1.0	-60.97	391.20	8.41	-52.56
CC1(C)CCC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C2=CC=CC=C2)C1	REAL300007972426	0	56	-1.0	-50.61	409.22	8.51	-42.10
CC1(C)CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(C2=CC=CC=C2)C1	REAL300007972427	0	48	-1.0	-49.64	382.22	7.97	-41.67
CC1(C)CCC(NS(=O)(=O)CCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972428	0	50	-1.0	-52.69	389.52	7.50	-45.19
CC1(C)CCC(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C2=CC=CC=C2)C1	REAL300007972429	0	48	-1.0	-50.07	397.30	7.94	-42.13
CC1(C)CCC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C2=CC=CC=C2)C1	REAL300007972430	0	48	-1.0	-53.66	397.67	8.00	-45.66
CC1(C)CCC(NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C(C2=CC=CC=C2)C1	REAL300007972431	0	48	-1.0	-50.53	382.57	7.73	-42.80
CC1=C(S(=O)(=O)NC2CCC(C)(C)CC2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300007972432	0	51	-1.0	-55.11	410.15	8.00	-47.11
CC1(C)CCC(NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C(C2=CC=CC=C2)C1	REAL300007972433	0	50	-1.0	-48.71	399.47	7.08	-41.63
CC1(C)CCC(NS(=O)(=O)C2=CSN=C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972434	0	47	-1.0	-51.91	382.82	7.12	-44.79
CC1(C)CCC(NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(C2=CC=CC=C2)C1	REAL300007972435	0	47	-1.0	-65.99	379.55	6.68	-59.31
CC1(C)CCC(NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972436	0	50	-1.0	-54.65	391.24	7.95	-46.70
CC1(C)CCC(NS(=O)(=O)CCCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972437	0	56	-1.0	-53.82	432.52	9.06	-44.76
CC1(C)CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C(C2=CC=CC=C2)C1	REAL300007972438	0	50	-1.0	-51.65	391.43	7.69	-43.96
CN(CCC(=O)[O-])S(=O)(=O)NC1CCC(C)(C)CC1C1=CC=CC=C1	REAL300007972439	0	52	-1.0	-49.08	402.40	7.23	-41.85
CC1(C)CCC(NS(=O)(=O)CC2(CC(=O)[O-])CC2)C(C2=CC=CC=C2)C1	REAL300007972440	0	54	-1.0	-58.70	403.01	9.34	-49.36
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCC(C)(C)CC1C1=CC=CC=C1	REAL300007972441	0	51	-1.0	-54.58	394.83	7.10	-47.48
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CCC(C)(C)CC2C2=CC=CC=C2)=C1	REAL300007972442	0	51	-1.0	-50.62	400.19	8.57	-42.05
CC1(C)CCC(NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C(C2=CC=CC=C2)C1	REAL300007972443	0	48	-1.0	-60.44	374.66	8.39	-52.05
CC1(C)CCC(NS(=O)(=O)C2(C(=O)[O-])CCC2)C(C2=CC=CC=C2)C1	REAL300007972444	0	51	-1.0	-44.50	382.35	7.86	-36.64
CC1(C)CCC(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972445	0	48	-1.0	-54.54	376.77	5.71	-48.83
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCC(C)(C)CC1C1=CC=CC=C1	REAL300007972446	0	51	-1.0	-54.58	394.83	7.10	-47.48
CC1(C)CCC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C2=CC=CC=C2)C1	REAL300007972447	0	50	-1.0	-49.67	400.50	6.97	-42.70
CC1(C)CCC(NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C(C2=CC=CC=C2)C1	REAL300007972448	0	50	-1.0	-56.73	400.37	7.12	-49.61
CC1(C)CCC(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(C2=CC=CC=C2)C1	REAL300007972449	0	48	-1.0	-45.09	381.00	5.85	-39.24
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC(C)(C)CC1C1=CC=CC=C1	REAL300007972450	0	51	-1.0	-56.75	394.51	7.27	-49.48
CC1(C)CCC(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300007972451	0	51	-1.0	-53.07	383.51	8.70	-44.37
CC1(C)CCC(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300007972452	0	54	-1.0	-55.75	399.34	9.13	-46.62
CC1(C)CCC(NS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972453	0	51	-1.0	-54.90	390.99	8.87	-46.03
CC1(C)CCC(NS(=O)(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972454	0	56	-1.0	-54.52	401.04	9.70	-44.82
CC1(C)CCC(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(C2=CC=CC=C2)C1	REAL300007972455	0	48	-1.0	-45.09	381.00	5.85	-39.24
CC1(C)CCC(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972456	0	53	-1.0	-60.10	394.33	8.79	-51.31
CC1(C)CCC(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972457	0	48	-1.0	-54.54	376.77	5.71	-48.83
CC1(C)CCC(NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972458	0	51	-1.0	-57.91	380.45	8.55	-49.36
CC1(C)CCC(NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300007972459	0	50	-1.0	-45.51	389.98	7.93	-37.58
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007972460	0	39	-1.0	-47.91	311.12	3.44	-44.47
CC1CC(C)(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300007972461	0	39	-1.0	-52.13	307.74	3.11	-49.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972462	0	42	-1.0	-54.50	320.55	4.08	-50.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972463	0	43	-1.0	-53.89	340.59	3.31	-50.58
CC1=CC=C(S(=O)(=O)NC2(C)CCOC(C)C2)C=C1C(=O)[O-]	REAL300007972464	0	42	-1.0	-50.71	326.80	4.04	-46.67
CC1CC(C)(NS(=O)(=O)C2=C(C(=O)[O-])SC=C2)CCO1	REAL300007972465	0	36	-1.0	-47.81	288.18	3.11	-44.70
CC1CC(C)(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300007972466	0	39	-1.0	-52.13	307.74	3.11	-49.02
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007972467	0	39	-1.0	-47.91	311.12	3.44	-44.47
CC1CC(C)(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCO1	REAL300007972468	0	39	-1.0	-51.22	294.09	4.15	-47.07
CC1CC(C)(NS(=O)(=O)C2=CNC(C(=O)[O-])=C2)CCO1	REAL300007972469	0	37	-1.0	-50.34	298.08	1.12	-49.22
CC1CC(C)(NS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CCO1	REAL300007972470	0	39	-1.0	-50.43	315.76	1.56	-48.87
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)CCO1	REAL300007972471	0	36	-1.0	-47.30	301.58	2.67	-44.63
CC1CC(C)(NS(=O)(=O)C2=NNC=C2C(=O)[O-])CCO1	REAL300007972472	0	36	-1.0	-57.23	286.20	0.21	-57.02
CC1CC(C)(NS(=O)(=O)N2CCCC(C(=O)[O-])C2)CCO1	REAL300007972473	0	44	-1.0	-49.23	319.91	2.23	-47.00
CC1CC(C)(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	REAL300007972474	0	44	-1.0	-51.56	325.23	2.64	-48.92
CC1CC(C)(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCO1	REAL300007972475	0	39	-1.0	-51.22	294.09	4.15	-47.07
CC1CC(C)(NS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])CCO1	REAL300007972476	0	39	-1.0	-44.87	311.16	4.70	-40.17
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCO1	REAL300007972477	0	36	-1.0	-48.51	296.72	2.06	-46.45
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2(C)CCOC(C)C2)O1	REAL300007972478	0	39	-1.0	-50.89	312.23	2.12	-48.77
CC1CC(C)(NS(=O)(=O)N2CCCC2C(=O)[O-])CCO1	REAL300007972479	0	41	-1.0	-46.15	301.89	2.05	-44.10
CC1CC(C)(NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007972480	0	42	-1.0	-58.14	332.19	3.92	-54.22
CC1CC(C)(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	REAL300007972481	0	44	-1.0	-51.56	325.23	2.64	-48.92
CC1CC(C)(NS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300007972482	0	42	-1.0	-58.73	333.29	3.93	-54.80
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCO1	REAL300007972483	0	36	-1.0	-48.51	296.72	2.06	-46.45
CC1CC(C)(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCO1	REAL300007972484	0	43	-1.0	-47.73	342.21	3.71	-44.02
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972485	0	43	-1.0	-47.04	345.97	4.48	-42.56
CC1CC(C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCO1	REAL300007972486	0	36	-1.0	-49.75	302.60	2.57	-47.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(C)CCOC(C)C2)=C1C	REAL300007972487	0	45	-1.0	-55.48	337.34	4.60	-50.88
CC1=CC=CC(S(=O)(=O)NC2(C)CCOC(C)C2)=C1C(=O)[O-]	REAL300007972488	0	42	-1.0	-54.67	320.24	4.42	-50.25
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(C)CCOC(C)C2)=C1	REAL300007972489	0	46	-1.0	-51.94	366.28	3.15	-48.79
CC1CC(C)(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)CCO1	REAL300007972490	0	36	-1.0	-50.80	297.67	2.06	-48.74
CC1CC(C)(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])CCO1	REAL300007972491	0	42	-1.0	-43.34	333.12	5.18	-38.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972492	0	42	-1.0	-47.84	321.51	4.13	-43.71
CC1CC(C)(NS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)CCO1	REAL300007972493	0	42	-1.0	-49.82	333.46	5.44	-44.38
CC1CC(C)(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CCO1	REAL300007972494	0	42	-1.0	-45.19	333.38	4.22	-40.97
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2(C)CCOC(C)C2)C=C1[N+](=O)[O-]	REAL300007972495	0	44	-1.0	-41.18	351.44	4.54	-36.64
CC1CC(C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)CCO1	REAL300007972496	0	36	-1.0	-50.15	294.21	1.40	-48.75
CC1CC(C)(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300007972497	0	42	-1.0	-51.18	329.90	3.88	-47.30
CC1=C(S(=O)(=O)NC2(C)CCOC(C)C2)C=C(C(=O)[O-])O1	REAL300007972498	0	39	-1.0	-52.45	315.27	2.62	-49.83
CC1CC(C)(NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CCO1	REAL300007972499	0	38	-1.0	-45.03	303.75	1.15	-43.88
CC1CC(C)(NS(=O)(=O)C2=CSN=C2C(=O)[O-])CCO1	REAL300007972500	0	35	-1.0	-52.44	282.51	1.49	-50.95
CC1CC(C)(NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)CCO1	REAL300007972501	0	35	-1.0	-65.46	290.65	1.18	-64.28
CC1CC(C)(NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])CCO1	REAL300007972502	0	38	-1.0	-53.67	289.67	2.21	-51.46
CC1CC(C)(NS(=O)(=O)CCCCCC(=O)[O-])CCO1	REAL300007972503	0	44	-1.0	-53.16	337.37	3.35	-49.81
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300007972504	0	38	-1.0	-50.01	304.09	1.18	-48.83
CC1CC(C)(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CCO1	REAL300007972505	0	39	-1.0	-45.73	327.94	3.93	-41.80
CC1CC(C)(NS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CCO1	REAL300007972506	0	39	-1.0	-45.72	332.50	4.04	-41.68
COC1=CC=C(S(=O)(=O)NC2(C)CCOC(C)C2)C=C1C(=O)[O-]	REAL300007972507	0	43	-1.0	-58.36	338.44	3.51	-54.85
CC1=CC(S(=O)(=O)NC2(C)CCOC(C)C2)=CC=C1C(=O)[O-]	REAL300007972508	0	42	-1.0	-47.17	326.27	3.97	-43.20
CC1CC(C)(NS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)CCO1	REAL300007972509	0	44	-1.0	-53.42	338.97	3.68	-49.74
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(C)CCOC(C)C2)=C1	REAL300007972510	0	46	-1.0	-51.94	366.28	3.15	-48.79
CC1CC(C)(NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CCO1	REAL300007972511	0	39	-1.0	-45.73	327.94	3.93	-41.80
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972512	0	39	-1.0	-47.94	306.15	3.66	-44.28
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972513	0	42	-1.0	-50.19	340.30	4.65	-45.54
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3(C)CCOC(C)C3)C=C21	REAL300007972514	0	45	-1.0	-51.66	353.64	4.60	-47.06
CC1CC(C)(NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300007972515	0	42	-1.0	-58.14	332.19	3.92	-54.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972516	0	43	-1.0	-53.89	340.59	3.31	-50.58
CC1=CC=C(S(=O)(=O)NC2(C)CCOC(C)C2)C=C1C(=O)[O-]	REAL300007972517	0	42	-1.0	-50.71	326.80	4.04	-46.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972518	0	42	-1.0	-54.50	320.55	4.08	-50.42
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972519	0	43	-1.0	-45.75	341.74	3.64	-42.11
CC1CC(C)(NS(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1	REAL300007972520	0	42	-1.0	-48.99	319.40	3.11	-45.88
CC1CC(C)(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300007972521	0	42	-1.0	-51.18	329.90	3.88	-47.30
COC1=C(S(=O)(=O)NC2(C)CCOC(C)C2)SC(C(=O)[O-])=C1	REAL300007972522	0	40	-1.0	-46.29	330.21	2.67	-43.62
CC1CC(C)(NS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)CCO1	REAL300007972523	0	44	-1.0	-48.60	346.11	4.07	-44.53
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)CCO1	REAL300007972524	0	42	-1.0	-46.91	341.27	4.25	-42.66
CC1CC(C)(NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)CCO1	REAL300007972525	0	46	-1.0	-52.08	355.38	5.28	-46.80
CCC1=C(S(=O)(=O)NC2(C)CCOC(C)C2)C=C(C(=O)[O-])O1	REAL300007972526	0	42	-1.0	-51.69	329.64	3.19	-48.50
CC1CC(C)(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CCO1	REAL300007972527	0	41	-1.0	-45.94	322.08	4.82	-41.12
CC1CC(C)(NS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)CCO1	REAL300007972528	0	42	-1.0	-50.96	348.88	4.92	-46.04
CC1CC(C)(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])CCO1	REAL300007972529	0	41	-1.0	-40.05	322.14	4.82	-35.23
CC1=NC=C(S(=O)(=O)NC2(C)CCOC(C)C2)C=C1C(=O)[O-]	REAL300007972530	0	41	-1.0	-44.78	322.47	2.06	-42.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972531	0	43	-1.0	-47.60	340.60	3.33	-44.27
COC1=CC(S(=O)(=O)NC2(C)CCOC(C)C2)=CC=C1C(=O)[O-]	REAL300007972532	0	43	-1.0	-53.14	338.39	3.51	-49.63
COC1=CC=C(S(=O)(=O)NC2(C)CCOC(C)C2)C(CC(=O)[O-])=C1	REAL300007972533	0	46	-1.0	-58.02	346.80	3.75	-54.27
CC1CC(C)(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)CCO1	REAL300007972534	0	42	-1.0	-49.74	337.78	4.22	-45.52
CC1CC(C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)CCO1	REAL300007972535	0	42	-1.0	-44.55	350.25	4.44	-40.11
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)CCO1	REAL300007972536	0	48	-1.0	-49.81	362.48	4.77	-45.04
CC1CC(C)(NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CCO1	REAL300007972537	0	39	-1.0	-47.41	304.71	2.06	-45.35
CC1CC(C)(NS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CCO1	REAL300007972538	0	45	-1.0	-51.05	342.58	5.48	-45.57
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2(C)CCOC(C)C2)=C1	REAL300007972539	0	39	-1.0	-49.32	314.72	2.65	-46.67
CC1CC(C)(NS(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])CCO1	REAL300007972540	0	39	-1.0	-44.78	315.69	4.80	-39.98
CC1CC(C)(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)CCO1	REAL300007972541	0	39	-1.0	-50.76	323.69	3.83	-46.93
CC1CC(C)(NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)CCO1	REAL300007972542	0	36	-1.0	-59.14	287.83	1.84	-57.30
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2(C)CCOC(C)C2)=C1	REAL300007972543	0	43	-1.0	-49.32	323.79	3.50	-45.82
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC2(C)CCOC(C)C2)=C1OC	REAL300007972544	0	51	-1.0	-50.00	396.18	4.67	-45.33
CC1CC(C)(NS(=O)(=O)C2=NNC=C2C(=O)[O-])CCO1	REAL300007972545	0	36	-1.0	-57.23	286.20	0.21	-57.02
CC1CC(C)(NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CCO1	REAL300007972546	0	39	-1.0	-47.41	304.71	2.06	-45.35
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007972547	0	41	-2.0	-134.74	336.90	4.32	-130.42
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972548	0	46	-1.0	-52.79	357.83	3.59	-49.20
CC1CC(C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CCO1	REAL300007972549	0	38	-1.0	-49.98	304.74	1.70	-48.28
CC1CC(C)(NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CCO1	REAL300007972550	0	42	-1.0	-57.21	331.86	4.25	-52.96
CC1CC(C)(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007972551	0	36	-1.0	-44.96	311.65	2.34	-42.62
CC1CC(C)([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007972551	1	35	-2.0	-92.51	315.39	2.40	-90.11
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)CCO1	REAL300007972552	0	45	-1.0	-49.72	347.47	5.67	-44.05
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C)CCOC(C)C1	REAL300007972553	0	46	-1.0	-53.52	362.44	4.23	-49.29
COC1=CC=C(S(=O)(=O)NC2(C)CCOC(C)C2)C(C(=O)[O-])=C1	REAL300007972554	0	43	-1.0	-52.22	323.30	3.45	-48.77
CC1CC(C)(NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CCO1	REAL300007972555	0	38	-1.0	-55.27	307.69	1.65	-53.62
CC1CC(C)(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCO1	REAL300007972556	0	36	-1.0	-42.72	295.30	0.01	-42.71
CC1CC(C)(NS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)CCO1	REAL300007972557	0	39	-1.0	-53.54	311.18	1.12	-52.42
CC1CC(C)(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)CCO1	REAL300007972558	0	45	-1.0	-51.43	356.88	5.68	-45.75
CC1CC(C)(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300007972559	0	42	-1.0	-54.69	314.34	2.81	-51.88
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2(C)CCOC(C)C2)S1	REAL300007972560	0	39	-1.0	-49.63	319.59	3.24	-46.39
CC1CC(C)(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])CCO1	REAL300007972561	0	45	-1.0	-53.55	339.43	6.40	-47.15
CC1CC(C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)CCO1	REAL300007972562	0	42	-1.0	-45.27	329.04	4.71	-40.56
CC1CC(C)(NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCO1	REAL300007972563	0	42	-1.0	-56.93	317.81	4.30	-52.63
CC1CC(C)(NS(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CCO1	REAL300007972564	0	39	-1.0	-48.47	339.26	4.12	-44.35
CC1CC(C)(NS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)CCO1	REAL300007972565	0	42	-1.0	-64.20	336.03	2.08	-62.12
CC1CC(C)(NS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)CCO1	REAL300007972566	0	42	-1.0	-44.11	339.00	5.21	-38.90
CC1CC(C)(NS(=O)(=O)N2CCCCC2C(=O)[O-])CCO1	REAL300007972567	0	44	-1.0	-50.69	318.44	3.57	-47.12
CC1CC(C)(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCO1	REAL300007972568	0	36	-1.0	-42.72	295.30	0.01	-42.71
CC1CC(C)(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1	REAL300007972569	0	41	-1.0	-59.37	311.35	2.73	-56.64
CC1CC(C)(NS(=O)(=O)C2=NNC=C2C(=O)[O-])CCO1	REAL300007972570	0	36	-1.0	-57.23	286.20	0.21	-57.02
CC1CC(C)(NS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)CCO1	REAL300007972571	0	36	-1.0	-43.05	305.31	3.71	-39.34
CC1=CC(S(=O)(=O)NC2(C)CCOC(C)C2)=CN=C1C(=O)[O-]	REAL300007972572	0	41	-1.0	-50.30	323.86	2.09	-48.21
CC1CC(C)(NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCO1	REAL300007972573	0	42	-1.0	-56.93	317.81	4.30	-52.63
CCOC1=CC=C(S(=O)(=O)NC2(C)CCOC(C)C2)C=C1C(=O)[O-]	REAL300007972574	0	46	-1.0	-58.82	360.29	4.42	-54.40
CC1CC(C)(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CCO1	REAL300007972575	0	46	-1.0	-47.89	356.29	5.32	-42.57
CC1CC(C)(NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])CCO1	REAL300007972576	0	38	-1.0	-43.66	296.26	2.42	-41.24
CC1CC(C)(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)CCO1	REAL300007972577	0	44	-1.0	-54.74	352.68	3.82	-50.92
O=C([O-])C1=CC(S(=O)(=O)NC2C3CC4=CC=C(Br)C=C4C32)=CN1	REAL300007972578	0	35	-1.0	-49.99	335.40	5.49	-44.50
O=C([O-])C1=CNN=C1S(=O)(=O)NC1C2CC3=CC=C(Br)C=C3C21	REAL300007972579	0	34	-1.0	-52.15	327.40	4.66	-47.49
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3CC4=CC=C(Br)C=C4C32)O1	REAL300007972580	0	34	-1.0	-48.19	331.63	6.12	-42.07
O=C([O-])CCCS(=O)(=O)NC1C2CC3=CC=C(Br)C=C3C21	REAL300007972581	0	36	-1.0	-52.25	336.98	6.23	-46.02
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3CC4=CC=C(Br)C=C4C32)O1	REAL300007972582	0	34	-1.0	-48.19	331.63	6.12	-42.07
O=C([O-])CCCS(=O)(=O)NC1C2CC3=CC=C(Br)C=C3C21	REAL300007972583	0	36	-1.0	-52.25	336.98	6.23	-46.02
O=C([O-])C1=COC(S(=O)(=O)NC2C3CC4=CC=C(Br)C=C4C32)=C1	REAL300007972584	0	34	-1.0	-48.99	332.31	5.89	-43.10
CN(CCC(=O)[O-])S(=O)(=O)NC1C2CC3=CC=C(Br)C=C3C21	REAL300007972585	0	38	-1.0	-49.45	350.03	5.80	-43.65
O=C([O-])C1=C(S(=O)(=O)NC2C3CC4=CC=C(Br)C=C4C32)OC=C1	REAL300007972586	0	34	-1.0	-53.20	328.50	6.48	-46.72
O=C([O-])C1(S(=O)(=O)NC2C3CC4=CC=C(Br)C=C4C32)CCC1	REAL300007972587	0	37	-1.0	-47.93	330.36	6.90	-41.03
O=C([O-])C1=CNN=C1S(=O)(=O)NC1C2CC3=CC=C(Br)C=C3C21	REAL300007972588	0	34	-1.0	-52.15	327.40	4.66	-47.49
O=C([O-])C1=CC(S(=O)(=O)NC2C3CC4=CC=C(Br)C=C4C32)=NN1	REAL300007972589	0	34	-1.0	-44.47	330.52	3.99	-40.48
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2C3CC4=CC=C(Br)C=C4C32)C1	REAL300007972590	0	37	-1.0	-54.60	338.73	6.61	-47.99
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC1C2CC3=CC=C(Br)C=C3C21	REAL300007972591	0	37	-1.0	-53.89	343.70	7.10	-46.79
O=C([O-])C1=CC(S(=O)(=O)NC2C3CC4=CC=C(Br)C=C4C32)=NN1	REAL300007972592	0	34	-1.0	-44.47	330.52	3.99	-40.48
O=C([O-])C1=CNN=C1S(=O)(=O)NC1C2CC3=CC=C(Br)C=C3C21	REAL300007972593	0	34	-1.0	-52.15	327.40	4.66	-47.49
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1C2CC3=CC=C(Br)C=C3C21	REAL300007972594	0	37	-1.0	-60.92	327.61	7.50	-53.42
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972595	0	31	-1.0	-54.38	287.22	4.49	-49.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007972596	0	32	-1.0	-56.05	282.25	3.20	-52.85
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007972597	0	34	-1.0	-59.08	311.57	0.43	-58.65
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007972598	0	32	-1.0	-50.87	296.90	2.70	-48.17
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OC	REAL300007972599	0	39	-1.0	-55.61	326.02	3.05	-52.56
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007972600	0	44	-1.0	-53.24	352.74	6.72	-46.52
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007972601	0	34	-1.0	-54.50	295.41	2.08	-52.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300007972602	0	28	-1.0	-54.69	268.03	3.69	-51.00
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007972603	0	28	-1.0	-52.08	272.20	3.53	-48.55
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972604	0	33	-1.0	-60.16	283.41	5.23	-54.93
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007972605	0	34	-1.0	-55.82	311.43	5.03	-50.79
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007972606	0	38	-1.0	-67.10	332.50	-0.42	-67.52
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972607	0	39	-1.0	-53.67	333.36	4.74	-48.93
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007972608	0	37	-1.0	-67.06	335.92	1.10	-65.96
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1C	REAL300007972609	0	38	-1.0	-54.42	311.82	3.73	-50.69
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007972610	0	33	-1.0	-56.46	298.05	3.48	-52.98
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007972611	0	31	-1.0	-56.61	294.50	4.36	-52.25
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972612	0	45	-1.0	-58.66	388.93	2.09	-56.57
C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007972613	0	38	-1.0	-61.74	324.80	-1.14	-62.88
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007972614	0	37	-1.0	-56.49	324.74	4.22	-52.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007972615	0	41	-1.0	-59.06	355.70	5.92	-53.14
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007972616	0	36	-1.0	-66.08	317.39	2.32	-63.76
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007972617	0	34	-1.0	-52.15	319.31	4.09	-48.06
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OC	REAL300007972618	0	36	-1.0	-53.32	323.37	2.75	-50.57
COC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(OC)C=C1Br	REAL300007972619	0	36	-1.0	-54.24	317.34	2.74	-51.50
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300007972620	0	31	-1.0	-52.17	290.40	4.10	-48.07
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007972621	0	34	-1.0	-52.87	306.89	5.74	-47.13
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007972622	0	38	-1.0	-53.76	346.35	6.95	-46.81
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007972623	0	33	-1.0	-48.89	303.33	5.15	-43.74
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300007972624	0	39	-1.0	-50.06	371.87	3.64	-46.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007972625	0	32	-1.0	-53.22	296.37	2.55	-50.67
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007972626	0	35	-1.0	-54.64	304.08	4.61	-50.03
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972627	0	43	-1.0	-52.82	339.82	3.72	-49.10
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972628	0	39	-1.0	-59.20	322.54	2.51	-56.69
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)CCCC2	REAL300007974001	0	47	-1.0	-64.62	377.20	5.78	-58.84
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)C1(C(=O)[O-])CCC1)CCCC2	REAL300007974002	0	50	-1.0	-50.21	386.15	5.76	-44.45
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)C1=NNC=C1C(=O)[O-])CCCC2	REAL300007974003	0	47	-1.0	-62.61	375.86	4.09	-58.52
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)CCCC2	REAL300007974004	0	47	-1.0	-51.62	385.04	2.73	-48.89
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)CCCC2	REAL300007974005	0	50	-1.0	-58.12	387.21	6.00	-52.12
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CCCC2	REAL300007974006	0	53	-1.0	-60.64	406.60	6.69	-53.95
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])CCCC2	REAL300007974007	0	50	-1.0	-57.05	394.13	6.25	-50.80
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)CCCC2	REAL300007974008	0	47	-1.0	-51.62	385.04	2.73	-48.89
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])CCCC2	REAL300007974009	0	52	-1.0	-60.82	397.12	5.68	-55.14
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)C1=NNC=C1C(=O)[O-])CCCC2	REAL300007974010	0	47	-1.0	-62.61	375.86	4.09	-58.52
COC1=CC2=C(C=C1OC)C(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])CCCC2	REAL300007974011	0	50	-1.0	-64.40	379.77	6.71	-57.69
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1	REAL300007974012	0	43	-1.0	-47.59	339.65	5.80	-41.79
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974013	0	43	-1.0	-52.40	339.70	5.78	-46.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974014	0	46	-1.0	-55.42	343.36	6.11	-49.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974015	0	47	-1.0	-55.33	361.92	5.66	-49.67
CC1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1C(=O)[O-]	REAL300007974016	0	46	-1.0	-51.91	355.72	6.32	-45.59
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=CS1	REAL300007974017	0	40	-1.0	-60.87	319.96	5.35	-55.52
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974018	0	43	-1.0	-52.40	339.70	5.78	-46.62
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1	REAL300007974019	0	43	-1.0	-47.59	339.65	5.80	-41.79
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974020	0	43	-1.0	-66.28	324.62	6.73	-59.55
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=CN1	REAL300007974021	0	41	-1.0	-50.27	328.18	3.52	-46.75
O=C([O-])CN1C=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=N1	REAL300007974022	0	43	-1.0	-48.57	344.21	3.92	-44.65
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)S1	REAL300007974023	0	40	-1.0	-46.39	331.94	4.92	-41.47
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974024	0	40	-1.0	-57.37	317.04	2.74	-54.63
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3(CCCCO3)CC2)C1	REAL300007974025	0	48	-1.0	-49.62	357.97	4.95	-44.67
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CCCCO3)CC2)CC1	REAL300007974026	0	48	-1.0	-51.94	358.22	4.98	-46.96
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974027	0	43	-1.0	-66.28	324.62	6.73	-59.55
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974028	0	43	-1.0	-57.49	341.51	7.21	-50.28
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)O1	REAL300007974029	0	40	-1.0	-48.64	324.44	4.16	-44.48
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)O1	REAL300007974030	0	43	-1.0	-48.64	344.28	4.70	-43.94
O=C([O-])CCCS(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974031	0	42	-1.0	-51.36	325.73	4.43	-46.93
O=C([O-])C1CCCN1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974032	0	45	-1.0	-59.09	339.32	4.94	-54.15
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1	REAL300007974033	0	46	-1.0	-57.36	363.50	6.55	-50.81
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CCCCO3)CC2)CC1	REAL300007974034	0	48	-1.0	-51.94	358.22	4.98	-46.96
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974035	0	46	-1.0	-59.50	363.51	6.52	-52.98
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)O1	REAL300007974036	0	40	-1.0	-48.64	324.44	4.16	-44.48
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1	REAL300007974037	0	47	-1.0	-47.31	370.74	6.07	-41.24
O=C([O-])CCCS(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974038	0	42	-1.0	-51.36	325.73	4.43	-46.93
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974039	0	40	-1.0	-48.78	332.87	4.82	-43.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1C	REAL300007974040	0	49	-1.0	-56.75	360.50	6.63	-50.12
CC1=CC=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1C(=O)[O-]	REAL300007974041	0	46	-1.0	-70.37	350.50	6.61	-63.76
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974042	0	50	-1.0	-53.41	394.75	5.50	-47.91
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=CS1	REAL300007974043	0	40	-1.0	-49.90	331.32	4.84	-45.06
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974044	0	46	-1.0	-48.19	338.64	6.02	-42.17
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C2=CC=CC=C2S1	REAL300007974045	0	46	-1.0	-50.19	358.39	7.76	-42.43
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1	REAL300007974046	0	46	-1.0	-48.04	361.85	6.57	-41.47
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1[N+](=O)[O-]	REAL300007974047	0	48	-1.0	-41.64	377.90	6.81	-34.83
O=C([O-])C1=COC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974048	0	40	-1.0	-48.08	324.67	3.91	-44.17
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974049	0	46	-1.0	-51.34	361.85	6.56	-44.78
CC1=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C(C(=O)[O-])O1	REAL300007974050	0	43	-1.0	-51.78	334.75	4.61	-47.17
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974051	0	42	-1.0	-45.69	334.82	3.98	-41.71
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974052	0	39	-1.0	-64.33	315.21	3.78	-60.55
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)SC=N1	REAL300007974053	0	39	-1.0	-63.01	317.60	3.42	-59.59
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974054	0	42	-1.0	-68.29	321.66	4.90	-63.39
O=C([O-])CCCCCS(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974055	0	48	-1.0	-52.73	368.72	5.98	-46.75
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=N1	REAL300007974056	0	42	-1.0	-49.56	335.52	4.00	-45.56
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974057	0	43	-1.0	-46.72	356.42	6.29	-40.43
COC1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1C(=O)[O-]	REAL300007974058	0	47	-1.0	-57.37	366.97	5.86	-51.51
CC1=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=CC=C1C(=O)[O-]	REAL300007974059	0	46	-1.0	-46.87	355.70	6.34	-40.53
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974060	0	44	-1.0	-48.27	339.06	3.99	-44.28
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCC4(CCCCO4)CC3)C=CC=C21	REAL300007974061	0	48	-1.0	-54.46	366.24	6.19	-48.27
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974062	0	50	-1.0	-53.41	394.75	5.50	-47.91
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974063	0	43	-1.0	-46.72	356.42	6.29	-40.43
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974064	0	43	-1.0	-48.79	335.21	6.19	-42.60
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974065	0	46	-1.0	-49.13	356.67	6.52	-42.61
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCC4(CCCCO4)CC3)C=C21	REAL300007974066	0	49	-1.0	-50.04	386.60	7.14	-42.90
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1	REAL300007974067	0	46	-1.0	-57.36	363.50	6.55	-50.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974068	0	47	-1.0	-55.33	361.92	5.66	-49.67
CC1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1C(=O)[O-]	REAL300007974069	0	46	-1.0	-51.91	355.72	6.32	-45.59
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974070	0	46	-1.0	-55.42	343.36	6.11	-49.31
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974071	0	47	-1.0	-45.51	365.59	5.92	-39.59
O=C([O-])CC1(CS(=O)(=O)N2CCC3(CCCCO3)CC2)CC1	REAL300007974072	0	46	-1.0	-51.17	350.88	5.66	-45.51
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974073	0	46	-1.0	-51.34	361.85	6.56	-44.78
COC1=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)SC(C(=O)[O-])=C1	REAL300007974074	0	44	-1.0	-46.67	358.18	4.19	-42.48
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCC4(CCCCO4)CC3)=CC=C2O1	REAL300007974075	0	48	-1.0	-48.14	376.49	6.46	-41.68
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCC4(CCCCO4)CC3)C=C2)CC1	REAL300007974076	0	50	-1.0	-51.98	385.76	7.67	-44.31
CCC1=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C(C(=O)[O-])O1	REAL300007974077	0	46	-1.0	-51.43	355.38	5.33	-46.10
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974078	0	45	-1.0	-58.51	353.00	7.37	-51.14
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCC4(CCCCO4)CC3)=CC=C2S1	REAL300007974079	0	46	-1.0	-50.20	377.52	7.29	-42.91
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974080	0	45	-1.0	-49.72	358.07	7.50	-42.22
CC1=NC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1C(=O)[O-]	REAL300007974081	0	45	-1.0	-45.69	351.10	4.50	-41.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974082	0	47	-1.0	-47.75	361.99	5.68	-42.07
COC1=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=CC=C1C(=O)[O-]	REAL300007974083	0	47	-1.0	-52.84	366.94	5.88	-46.96
COC1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C(CC(=O)[O-])=C1	REAL300007974084	0	50	-1.0	-62.88	376.37	6.12	-56.76
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1F	REAL300007974085	0	46	-1.0	-49.52	367.27	6.61	-42.91
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1	REAL300007974086	0	52	-1.0	-46.51	392.84	7.43	-39.08
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974087	0	43	-1.0	-50.65	329.74	4.15	-46.50
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCC4(CCCCO4)CC3)C=CC=C12	REAL300007974088	0	49	-1.0	-51.96	369.66	7.97	-43.99
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974089	0	43	-1.0	-49.64	342.40	4.75	-44.89
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=CC=C1Cl	REAL300007974090	0	43	-1.0	-49.65	352.16	6.17	-43.48
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)OC=C1	REAL300007974091	0	40	-1.0	-59.17	318.15	4.54	-54.63
O=C([O-])C1(S(=O)(=O)N2CCC3(CCCCO3)CC2)CCC1	REAL300007974092	0	43	-1.0	-44.49	317.16	4.62	-39.87
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974093	0	47	-1.0	-62.39	354.17	6.03	-56.36
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974094	0	40	-1.0	-57.37	317.04	2.74	-54.63
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974095	0	43	-1.0	-50.65	329.74	4.15	-46.50
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1C(=O)[O-]	REAL300007974096	0	45	-2.0	-134.60	366.50	6.75	-127.85
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974097	0	50	-1.0	-52.40	375.90	5.37	-47.03
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974098	0	42	-1.0	-49.43	336.58	3.88	-45.55
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974099	0	46	-1.0	-56.30	353.46	6.92	-49.38
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=C1	REAL300007974100	0	40	-1.0	-44.96	339.34	4.45	-40.51
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C2=CC=CC=C12	REAL300007974101	0	49	-1.0	-49.83	369.20	7.97	-41.86
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974102	0	50	-1.0	-54.17	385.47	6.55	-47.62
COC1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C(C(=O)[O-])=C1	REAL300007974103	0	47	-1.0	-66.61	354.21	6.02	-60.59
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=CC=N1	REAL300007974104	0	42	-1.0	-54.30	335.71	4.02	-50.28
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCCCO3)CC2)=NN1	REAL300007974105	0	40	-1.0	-43.67	323.33	2.04	-41.63
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCCCO2)CC1	REAL300007974106	0	43	-1.0	-53.49	338.13	3.45	-50.04
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CCC(NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1CCCOC1	REAL300007974217	0	45	-1.0	-56.01	354.26	5.50	-50.51
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCOC1	REAL300007974218	0	39	-1.0	-46.42	340.62	3.10	-43.32
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCOC1	REAL300007974218	1	38	-2.0	-92.91	339.66	3.03	-89.88
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21)C1CCCOC1	REAL300007974219	0	48	-1.0	-51.12	368.68	6.54	-44.58
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC)C1CCCOC1	REAL300007974220	0	49	-1.0	-55.07	377.89	5.43	-49.64
CCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-])C1CCCOC1	REAL300007974221	0	46	-1.0	-51.06	350.75	4.66	-46.40
CCC(NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1CCCOC1	REAL300007974222	0	41	-1.0	-54.88	337.12	2.51	-52.37
CCC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1CCCOC1	REAL300007974223	0	39	-1.0	-43.63	325.16	0.61	-43.02
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1CCCOC1	REAL300007974224	0	42	-1.0	-54.76	343.16	2.09	-52.67
CCC(NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1)C1CCCOC1	REAL300007974225	0	48	-1.0	-52.06	386.85	6.57	-45.49
CCC(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCOC1	REAL300007974226	0	42	-1.0	-51.84	328.03	3.36	-48.48
CCC(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCOC1	REAL300007974227	0	45	-1.0	-54.26	340.01	4.11	-50.15
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)C1CCCOC1	REAL300007974228	0	42	-1.0	-49.34	351.55	4.04	-45.30
CCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-])C1CCCOC1	REAL300007974229	0	48	-1.0	-52.24	366.92	7.47	-44.77
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F)C1CCCOC1	REAL300007974230	0	45	-1.0	-46.00	353.93	5.54	-40.46
CCC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1CCCOC1	REAL300007974231	0	45	-1.0	-58.23	351.40	5.89	-52.34
CCC(NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1CCCOC1	REAL300007974232	0	42	-1.0	-48.11	369.12	4.89	-43.22
CCC(NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1CCCOC1	REAL300007974233	0	45	-1.0	-66.06	364.38	3.06	-63.00
CCC(NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1CCCOC1	REAL300007974234	0	45	-1.0	-44.82	365.88	5.50	-39.32
CCC(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1CCCOC1	REAL300007974235	0	42	-1.0	-53.77	333.64	3.65	-50.12
CCC(NS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCOC1	REAL300007974236	0	47	-1.0	-50.42	330.58	4.21	-46.21
CCC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1CCCOC1	REAL300007974237	0	39	-1.0	-43.63	325.16	0.61	-43.02
CCC(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CCCOC1	REAL300007974238	0	44	-1.0	-46.60	327.16	3.00	-43.60
CCC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1CCCOC1	REAL300007974239	0	39	-1.0	-51.10	314.02	1.45	-49.65
CCC(NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1CCCOC1	REAL300007974240	0	39	-1.0	-41.87	334.06	4.71	-37.16
CCC(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCCOC1	REAL300007974241	0	42	-1.0	-57.10	313.24	3.98	-53.12
CCC(NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C1CCCOC1	REAL300007974242	0	44	-1.0	-51.25	353.55	3.07	-48.18
CCC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1CCCOC1	REAL300007974243	0	45	-1.0	-58.23	351.40	5.89	-52.34
CCOC1=CC=C(S(=O)(=O)NC(CC)C2CCCOC2)C=C1C(=O)[O-]	REAL300007974244	0	49	-1.0	-59.03	390.08	5.27	-53.76
CCC(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1CCCOC1	REAL300007974245	0	49	-1.0	-52.07	386.28	6.22	-45.85
CCC(NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1CCCOC1	REAL300007974246	0	41	-1.0	-43.65	315.62	3.46	-40.19
CCC(NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1)C1CCCOC1	REAL300007974247	0	47	-1.0	-55.32	382.71	4.69	-50.63
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1	REAL300007974248	0	40	-1.0	-49.81	335.69	8.10	-41.71
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974249	0	40	-1.0	-56.12	335.78	8.10	-48.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974250	0	43	-1.0	-49.52	347.91	8.93	-40.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974251	0	44	-1.0	-56.80	352.58	7.75	-49.05
CC1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1C(=O)[O-]	REAL300007974252	0	43	-1.0	-52.74	351.71	8.62	-44.12
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=CS1	REAL300007974253	0	37	-1.0	-60.81	322.04	7.83	-52.98
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974254	0	40	-1.0	-56.12	335.78	8.10	-48.02
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1	REAL300007974255	0	40	-1.0	-49.81	335.69	8.10	-41.71
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974256	0	40	-1.0	-65.91	326.45	9.17	-56.74
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=CN1	REAL300007974257	0	38	-1.0	-51.31	324.21	5.82	-45.49
O=C([O-])CN1C=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=N1	REAL300007974258	0	40	-1.0	-52.25	340.25	6.22	-46.03
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)S1	REAL300007974259	0	37	-1.0	-49.34	328.02	7.23	-42.11
O=C([O-])C1=CNN=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974260	0	37	-1.0	-58.76	313.14	5.06	-53.70
O=C([O-])C1CCCN(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C1	REAL300007974261	0	45	-1.0	-51.39	352.64	7.17	-44.22
O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)CC1	REAL300007974262	0	45	-1.0	-52.90	352.70	7.24	-45.66
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974263	0	40	-1.0	-65.91	326.45	9.17	-56.74
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974264	0	40	-1.0	-58.42	343.30	9.67	-48.75
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)O1	REAL300007974265	0	37	-1.0	-49.90	320.48	6.47	-43.43
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)O1	REAL300007974266	0	40	-1.0	-51.33	338.91	6.93	-44.40
O=C([O-])CCCS(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974267	0	39	-1.0	-53.57	321.86	6.74	-46.83
O=C([O-])C1CCCN1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974268	0	42	-1.0	-62.94	335.36	7.23	-55.71
O=C([O-])C1=CC=C(CS(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1	REAL300007974269	0	43	-1.0	-59.35	359.71	8.82	-50.53
O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)CC1	REAL300007974270	0	45	-1.0	-52.90	352.70	7.24	-45.66
O=C([O-])C1=CC=CC(CS(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974271	0	43	-1.0	-58.32	359.71	8.80	-49.52
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)O1	REAL300007974272	0	37	-1.0	-49.90	320.48	6.47	-43.43
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1	REAL300007974273	0	44	-1.0	-48.84	366.77	8.38	-40.46
O=C([O-])CCCS(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974274	0	39	-1.0	-53.57	321.86	6.74	-46.83
O=C([O-])C1=CSC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974275	0	37	-1.0	-50.67	329.12	7.11	-43.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1C	REAL300007974276	0	46	-1.0	-60.66	360.23	9.09	-51.57
CC1=CC=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1C(=O)[O-]	REAL300007974277	0	43	-1.0	-74.56	349.69	9.02	-65.54
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974278	0	47	-1.0	-57.23	390.84	7.80	-49.43
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=CS1	REAL300007974279	0	37	-1.0	-52.15	327.41	7.14	-45.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974280	0	43	-1.0	-56.93	343.06	8.75	-48.18
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C2=CC=CC=C2S1	REAL300007974281	0	43	-1.0	-59.71	359.36	10.16	-49.55
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1	REAL300007974282	0	43	-1.0	-49.67	357.87	8.87	-40.80
O=C([O-])C1=COC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974283	0	37	-1.0	-49.81	320.72	6.21	-43.60
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974284	0	43	-1.0	-52.31	357.93	8.86	-43.45
CC1=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C(C(=O)[O-])O1	REAL300007974285	0	40	-1.0	-55.05	332.43	7.01	-48.04
O=C([O-])C1=CN=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974286	0	39	-1.0	-46.96	330.87	6.28	-40.68
O=C([O-])C1=NSC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974287	0	36	-1.0	-63.77	316.70	6.26	-57.51
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)SC=N1	REAL300007974288	0	36	-1.0	-57.09	311.30	5.58	-51.51
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974289	0	39	-1.0	-68.28	324.01	7.38	-60.90
O=C([O-])CCCCCS(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974290	0	45	-1.0	-54.61	364.61	8.29	-46.32
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=N1	REAL300007974291	0	39	-1.0	-51.03	331.56	6.29	-44.74
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974292	0	40	-1.0	-50.08	352.50	8.59	-41.49
COC1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1C(=O)[O-]	REAL300007974293	0	44	-1.0	-58.84	362.99	8.15	-50.69
CC1=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300007974294	0	43	-1.0	-50.08	355.73	8.73	-41.35
CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974295	0	41	-1.0	-51.32	335.01	6.32	-45.00
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)C=CC=C21	REAL300007974296	0	45	-1.0	-53.82	362.16	8.20	-45.62
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974297	0	47	-1.0	-57.23	390.84	7.80	-49.43
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974298	0	40	-1.0	-50.08	352.50	8.59	-41.49
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974299	0	40	-1.0	-57.20	328.81	8.24	-48.96
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974300	0	43	-1.0	-44.89	362.77	9.28	-35.61
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)C=C21	REAL300007974301	0	46	-1.0	-51.61	382.67	9.43	-42.18
O=C([O-])C1=CC=C(CS(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1	REAL300007974302	0	43	-1.0	-59.35	359.71	8.82	-50.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974303	0	44	-1.0	-56.80	352.58	7.75	-49.05
CC1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1C(=O)[O-]	REAL300007974304	0	43	-1.0	-52.74	351.71	8.62	-44.12
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974305	0	43	-1.0	-49.52	347.91	8.93	-40.59
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974306	0	44	-1.0	-48.73	365.76	8.25	-40.48
O=C([O-])CC1(CS(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)CC1	REAL300007974307	0	43	-1.0	-49.64	346.10	8.00	-41.64
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974308	0	43	-1.0	-52.31	357.93	8.86	-43.45
COC1=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)SC(C(=O)[O-])=C1	REAL300007974309	0	41	-1.0	-49.28	358.42	6.62	-42.66
O=C([O-])C1CC2=CC(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)=CC=C2O1	REAL300007974310	0	45	-1.0	-50.60	372.56	8.76	-41.84
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)C=C2)CC1	REAL300007974311	0	47	-1.0	-51.39	381.82	9.97	-41.42
CCC1=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C(C(=O)[O-])O1	REAL300007974312	0	43	-1.0	-52.78	350.53	7.61	-45.17
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974313	0	42	-1.0	-57.33	354.68	9.84	-47.49
O=C([O-])C1=CC2=CC(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)=CC=C2S1	REAL300007974314	0	43	-1.0	-51.08	373.57	9.58	-41.50
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974315	0	42	-1.0	-53.69	352.67	9.77	-43.92
CC1=NC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1C(=O)[O-]	REAL300007974316	0	42	-1.0	-47.79	347.21	6.81	-40.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974317	0	44	-1.0	-49.38	358.41	7.98	-41.40
COC1=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300007974318	0	44	-1.0	-54.17	362.96	8.16	-46.01
COC1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C(CC(=O)[O-])=C1	REAL300007974319	0	47	-1.0	-63.79	377.68	8.80	-54.99
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1F	REAL300007974320	0	43	-1.0	-51.44	363.29	8.92	-42.52
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1	REAL300007974321	0	49	-1.0	-50.79	390.61	9.76	-41.03
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974322	0	40	-1.0	-53.01	327.20	6.47	-46.54
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)C=CC=C12	REAL300007974323	0	46	-1.0	-50.76	362.71	9.82	-40.94
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974324	0	40	-1.0	-54.32	338.65	7.04	-47.28
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=CC=C1Cl	REAL300007974325	0	40	-1.0	-50.96	348.21	8.48	-42.48
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)OC=C1	REAL300007974326	0	37	-1.0	-55.01	312.49	6.91	-48.10
O=C([O-])C1(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)CCC1	REAL300007974327	0	40	-1.0	-46.24	315.44	7.18	-39.06
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974328	0	44	-1.0	-66.19	353.42	8.41	-57.78
O=C([O-])C1=CNN=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974329	0	37	-1.0	-58.76	313.14	5.06	-53.70
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974330	0	40	-1.0	-53.01	327.20	6.47	-46.54
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1C(=O)[O-]	REAL300007974331	0	42	-2.0	-135.82	362.55	9.04	-126.78
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974332	0	47	-1.0	-47.93	380.35	8.16	-39.77
O=C([O-])C1=CC=NC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974333	0	39	-1.0	-49.49	331.95	6.23	-43.26
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974334	0	43	-1.0	-57.32	349.65	9.25	-48.07
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C1	REAL300007974335	0	37	-1.0	-47.58	335.56	6.76	-40.82
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C2=CC=CC=C12	REAL300007974336	0	46	-1.0	-51.62	364.88	9.96	-41.66
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974337	0	47	-1.0	-57.49	381.35	8.87	-48.62
COC1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C(C(=O)[O-])=C1	REAL300007974338	0	44	-1.0	-66.38	355.90	8.47	-57.91
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=CC=N1	REAL300007974339	0	39	-1.0	-54.93	331.76	6.31	-48.62
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=NN1	REAL300007974340	0	37	-1.0	-45.83	319.24	4.35	-41.48
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974341	0	40	-1.0	-54.61	335.08	5.79	-48.82
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)C=C2C=C1	REAL300007974342	0	46	-1.0	-52.23	381.59	10.35	-41.88
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C1	REAL300007974343	0	40	-1.0	-52.45	326.24	7.24	-45.21
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C1	REAL300007974344	0	43	-1.0	-57.84	336.33	7.51	-50.33
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)S1	REAL300007974345	0	40	-1.0	-50.96	347.06	7.82	-43.14
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974346	0	46	-1.0	-74.22	369.40	11.37	-62.85
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974347	0	43	-1.0	-66.33	347.82	9.05	-57.28
O=C([O-])C1=NC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=C2C=CC=CN21	REAL300007974348	0	43	-1.0	-67.25	362.08	6.74	-60.51
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)=C2C=C1	REAL300007974349	0	43	-1.0	-46.33	362.52	9.35	-36.98
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974350	0	40	-1.0	-53.67	332.34	7.43	-46.24
O=C([O-])C1CCCCN1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974351	0	45	-1.0	-56.34	337.46	7.80	-48.54
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=NN1	REAL300007974352	0	37	-1.0	-45.83	319.24	4.35	-41.48
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974353	0	42	-1.0	-61.19	336.90	7.10	-54.09
O=C([O-])C1=CNN=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974354	0	37	-1.0	-58.76	313.14	5.06	-53.70
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C(Cl)S1	REAL300007974355	0	37	-1.0	-57.61	336.45	8.35	-49.26
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974356	0	40	-1.0	-57.60	316.07	7.82	-49.78
CC1=CC(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)=CN=C1C(=O)[O-]	REAL300007974357	0	42	-1.0	-50.94	348.06	6.84	-44.10
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974358	0	43	-1.0	-66.33	347.82	9.05	-57.28
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1C(=O)[O-]	REAL300007974359	0	47	-1.0	-60.96	384.83	9.06	-51.90
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)C=C2C1	REAL300007974360	0	47	-1.0	-53.52	379.80	9.95	-43.57
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300007974361	0	39	-1.0	-61.22	319.74	7.23	-53.99
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3C[C@@H]4CC[C@H]3C3=CC=CC=C34)C=C2C=C1	REAL300007974362	0	45	-1.0	-55.25	377.44	8.47	-46.78
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1	REAL300007974363	0	41	-1.0	-49.31	332.73	4.11	-45.20
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974364	0	41	-1.0	-53.18	332.73	4.10	-49.08
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974365	0	44	-1.0	-56.61	340.10	4.49	-52.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974366	0	45	-1.0	-55.59	357.09	3.91	-51.68
CC1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1C(=O)[O-]	REAL300007974367	0	44	-1.0	-53.24	348.76	4.63	-48.61
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=CS1	REAL300007974368	0	38	-1.0	-60.43	317.92	3.77	-56.66
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974369	0	41	-1.0	-53.18	332.73	4.10	-49.08
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1	REAL300007974370	0	41	-1.0	-49.31	332.73	4.11	-45.20
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974371	0	41	-1.0	-65.36	323.47	5.09	-60.27
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=CN1	REAL300007974372	0	39	-1.0	-51.85	321.22	1.84	-50.01
O=C([O-])CN1C=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=N1	REAL300007974373	0	41	-1.0	-52.22	337.30	2.22	-50.00
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)S1	REAL300007974374	0	38	-1.0	-48.27	325.00	3.22	-45.05
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974375	0	38	-1.0	-57.42	310.13	1.03	-56.39
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3(CC2)COCCO3)C1	REAL300007974376	0	46	-1.0	-50.16	350.99	3.26	-46.90
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CC2)COCCO3)CC1	REAL300007974377	0	46	-1.0	-51.39	349.77	3.23	-48.16
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974378	0	41	-1.0	-65.36	323.47	5.09	-60.27
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974379	0	41	-1.0	-57.35	341.89	5.79	-51.56
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)O1	REAL300007974380	0	38	-1.0	-50.61	317.54	2.48	-48.13
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CC2)COCCO3)O1	REAL300007974381	0	41	-1.0	-50.29	335.73	2.93	-47.36
O=C([O-])CCCS(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974382	0	40	-1.0	-51.46	318.72	2.73	-48.73
O=C([O-])C1CCCN1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974383	0	43	-1.0	-59.56	334.59	2.92	-56.64
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CC2)COCCO3)C=C1	REAL300007974384	0	44	-1.0	-56.93	356.53	4.82	-52.11
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CC2)COCCO3)CC1	REAL300007974385	0	46	-1.0	-51.39	349.77	3.23	-48.16
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974386	0	44	-1.0	-58.78	356.53	4.81	-53.97
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)O1	REAL300007974387	0	38	-1.0	-50.61	317.54	2.48	-48.13
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1	REAL300007974388	0	45	-1.0	-48.78	363.82	4.39	-44.39
O=C([O-])CCCS(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974389	0	40	-1.0	-51.46	318.72	2.73	-48.73
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974390	0	38	-1.0	-49.97	325.93	3.11	-46.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1C	REAL300007974391	0	47	-1.0	-57.52	356.79	5.00	-52.52
CC1=CC=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1C(=O)[O-]	REAL300007974392	0	44	-1.0	-56.34	340.97	4.99	-51.35
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974393	0	48	-1.0	-54.69	387.82	3.81	-50.88
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=CS1	REAL300007974394	0	38	-1.0	-51.52	324.38	3.14	-48.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974395	0	44	-1.0	-51.79	337.13	4.40	-47.39
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C2=CC=CC=C2S1	REAL300007974396	0	44	-1.0	-64.07	352.21	6.44	-57.63
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1	REAL300007974397	0	44	-1.0	-49.40	354.92	4.89	-44.51
O=C([O-])C1=COC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974398	0	38	-1.0	-49.60	317.74	2.22	-47.38
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974399	0	44	-1.0	-52.03	354.90	4.88	-47.15
CC1=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C(C(=O)[O-])O1	REAL300007974400	0	41	-1.0	-53.99	325.88	2.85	-51.14
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974401	0	40	-1.0	-47.31	327.86	2.31	-45.00
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974402	0	37	-1.0	-64.45	313.56	2.30	-62.15
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CC2)COCCO3)SC=N1	REAL300007974403	0	37	-1.0	-56.75	309.10	1.57	-55.18
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974404	0	40	-1.0	-67.98	322.01	3.42	-64.56
O=C([O-])CCCCCS(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974405	0	46	-1.0	-52.48	361.72	4.29	-48.19
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=N1	REAL300007974406	0	40	-1.0	-51.53	328.61	2.31	-49.22
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974407	0	41	-1.0	-48.06	349.48	4.60	-43.46
COC1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1C(=O)[O-]	REAL300007974408	0	45	-1.0	-58.89	360.03	4.16	-54.73
CC1=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=CC=C1C(=O)[O-]	REAL300007974409	0	44	-1.0	-48.77	348.75	4.64	-44.13
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974410	0	42	-1.0	-47.31	329.01	2.16	-45.15
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCC4(CC3)COCCO4)C=CC=C21	REAL300007974411	0	46	-1.0	-53.17	360.43	4.18	-48.99
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974412	0	48	-1.0	-54.69	387.82	3.81	-50.88
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974413	0	41	-1.0	-48.06	349.48	4.60	-43.46
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974414	0	41	-1.0	-53.66	329.57	4.48	-49.18
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974415	0	44	-1.0	-50.75	353.08	4.86	-45.89
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCC4(CC3)COCCO4)C=C21	REAL300007974416	0	47	-1.0	-51.67	379.69	5.43	-46.24
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CC2)COCCO3)C=C1	REAL300007974417	0	44	-1.0	-56.93	356.53	4.82	-52.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974418	0	45	-1.0	-55.59	357.09	3.91	-51.68
CC1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1C(=O)[O-]	REAL300007974419	0	44	-1.0	-53.24	348.76	4.63	-48.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974420	0	44	-1.0	-56.61	340.10	4.49	-52.12
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974421	0	45	-1.0	-46.56	360.71	4.16	-42.40
O=C([O-])CC1(CS(=O)(=O)N2CCC3(CC2)COCCO3)CC1	REAL300007974422	0	44	-1.0	-51.47	343.79	3.93	-47.54
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974423	0	44	-1.0	-52.03	354.90	4.88	-47.15
COC1=C(S(=O)(=O)N2CCC3(CC2)COCCO3)SC(C(=O)[O-])=C1	REAL300007974424	0	42	-1.0	-48.08	355.24	2.63	-45.45
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCC4(CC3)COCCO4)=CC=C2O1	REAL300007974425	0	46	-1.0	-50.55	369.51	4.78	-45.77
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCC4(CC3)COCCO4)C=C2)CC1	REAL300007974426	0	48	-1.0	-53.17	378.85	5.98	-47.19
CCC1=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C(C(=O)[O-])O1	REAL300007974427	0	44	-1.0	-53.27	351.52	3.69	-49.58
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974428	0	43	-1.0	-58.39	351.61	5.78	-52.61
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCC4(CC3)COCCO4)=CC=C2S1	REAL300007974429	0	44	-1.0	-51.40	370.61	5.60	-45.80
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974430	0	43	-1.0	-50.38	351.60	5.76	-44.62
CC1=NC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1C(=O)[O-]	REAL300007974431	0	43	-1.0	-47.29	344.17	2.82	-44.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974432	0	45	-1.0	-49.43	357.14	3.91	-45.52
COC1=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=CC=C1C(=O)[O-]	REAL300007974433	0	45	-1.0	-54.69	360.02	4.17	-50.52
COC1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C(CC(=O)[O-])=C1	REAL300007974434	0	48	-1.0	-62.31	376.06	4.90	-57.41
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1F	REAL300007974435	0	44	-1.0	-51.37	360.34	4.92	-46.45
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1	REAL300007974436	0	50	-1.0	-50.72	387.65	5.78	-44.94
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974437	0	41	-1.0	-52.80	322.39	2.36	-50.44
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCC4(CC3)COCCO4)C=CC=C12	REAL300007974438	0	47	-1.0	-51.57	364.11	5.98	-45.59
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974439	0	41	-1.0	-51.75	335.47	3.07	-48.68
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=CC=C1Cl	REAL300007974440	0	41	-1.0	-51.57	345.26	4.49	-47.08
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CC2)COCCO3)OC=C1	REAL300007974441	0	38	-1.0	-53.19	307.41	2.82	-50.37
O=C([O-])C1(S(=O)(=O)N2CCC3(CC2)COCCO3)CCC1	REAL300007974442	0	41	-1.0	-46.59	313.34	3.16	-43.43
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974443	0	45	-1.0	-62.22	354.51	4.65	-57.57
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974444	0	38	-1.0	-57.42	310.13	1.03	-56.39
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974445	0	41	-1.0	-52.80	322.39	2.36	-50.44
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1C(=O)[O-]	REAL300007974446	0	43	-2.0	-136.35	359.61	5.05	-131.30
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974447	0	48	-1.0	-53.82	372.48	3.76	-50.06
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974448	0	40	-1.0	-50.19	329.73	2.17	-48.02
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974449	0	44	-1.0	-57.03	346.12	5.24	-51.79
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C1	REAL300007974450	0	38	-1.0	-46.61	332.40	2.75	-43.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C2=CC=CC=C12	REAL300007974451	0	47	-1.0	-51.88	363.71	5.96	-45.92
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974452	0	48	-1.0	-55.16	378.97	4.83	-50.33
COC1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C(C(=O)[O-])=C1	REAL300007974453	0	45	-1.0	-65.81	352.85	4.41	-61.40
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=CC=N1	REAL300007974454	0	40	-1.0	-55.27	328.81	2.33	-52.94
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=NN1	REAL300007974455	0	38	-1.0	-44.54	316.27	0.35	-44.19
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974456	0	41	-1.0	-54.18	335.59	1.78	-52.40
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCC4(CC3)COCCO4)C=C2C=C1	REAL300007974457	0	47	-1.0	-52.30	378.62	6.38	-45.92
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC3(CC2)COCCO3)C1	REAL300007974458	0	41	-1.0	-52.23	323.34	3.25	-48.98
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC3(CC2)COCCO3)C1	REAL300007974459	0	44	-1.0	-54.13	336.16	3.63	-50.50
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CC2)COCCO3)S1	REAL300007974460	0	41	-1.0	-50.14	344.04	3.82	-46.32
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974461	0	47	-1.0	-69.02	369.19	7.38	-61.64
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974462	0	44	-1.0	-61.40	344.89	5.42	-55.98
O=C([O-])C1=NC(S(=O)(=O)N2CCC3(CC2)COCCO3)=C2C=CC=CN21	REAL300007974463	0	44	-1.0	-67.82	359.58	2.71	-65.11
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCC4(CC3)COCCO4)=C2C=C1	REAL300007974464	0	44	-1.0	-45.17	359.82	5.31	-39.86
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974465	0	41	-1.0	-55.00	329.89	3.42	-51.58
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974466	0	46	-1.0	-51.48	336.96	3.86	-47.62
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=NN1	REAL300007974467	0	38	-1.0	-44.54	316.27	0.35	-44.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974468	0	43	-1.0	-59.47	333.72	3.08	-56.39
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974469	0	38	-1.0	-57.42	310.13	1.03	-56.39
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C(Cl)S1	REAL300007974470	0	38	-1.0	-54.00	335.93	4.44	-49.56
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974471	0	41	-1.0	-59.28	313.60	3.79	-55.49
CC1=CC(S(=O)(=O)N2CCC3(CC2)COCCO3)=CN=C1C(=O)[O-]	REAL300007974472	0	43	-1.0	-51.79	345.33	2.86	-48.93
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974473	0	44	-1.0	-61.40	344.89	5.42	-55.98
CCOC1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1C(=O)[O-]	REAL300007974474	0	48	-1.0	-59.33	381.89	5.08	-54.25
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCC4(CC3)COCCO4)C=C2C1	REAL300007974475	0	48	-1.0	-50.27	378.14	6.00	-44.27
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC2(CC1)COCCO2	REAL300007974476	0	40	-1.0	-57.37	320.63	3.41	-53.96
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCC4(CC3)COCCO4)C=C2C=C1	REAL300007974477	0	46	-1.0	-55.42	374.45	4.51	-50.91
O=C([O-])C1=CC(S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)=CN1	REAL300007974478	0	46	-1.0	-51.01	382.34	3.45	-47.56
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974479	0	45	-1.0	-52.76	365.24	2.58	-50.18
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)O1	REAL300007974480	0	45	-1.0	-50.36	378.54	4.07	-46.29
O=C([O-])CCCS(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974481	0	47	-1.0	-53.20	379.89	4.36	-48.84
O=C([O-])C1CCCN1S(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974482	0	50	-1.0	-60.30	394.03	4.55	-55.75
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)O1	REAL300007974483	0	45	-1.0	-50.36	378.54	4.07	-46.29
O=C([O-])CCCS(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974484	0	47	-1.0	-53.20	379.89	4.36	-48.84
O=C([O-])C1=COC(S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)=C1	REAL300007974485	0	45	-1.0	-49.16	378.88	3.85	-45.31
O=C([O-])CCCCCS(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974486	0	53	-1.0	-54.97	422.88	5.92	-49.05
CN(CCC(=O)[O-])S(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974487	0	49	-1.0	-49.36	393.20	3.94	-45.42
O=C([O-])CC1(CS(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)CC1	REAL300007974488	0	51	-1.0	-57.21	401.88	5.61	-51.60
O=C([O-])C1=C(S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)OC=C1	REAL300007974489	0	45	-1.0	-53.96	371.07	4.59	-49.37
O=C([O-])C1(S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)CCC1	REAL300007974490	0	48	-1.0	-45.11	368.14	4.68	-40.43
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974491	0	45	-1.0	-52.76	365.24	2.58	-50.18
O=C([O-])C1=CC(S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)=NN1	REAL300007974492	0	45	-1.0	-44.21	377.21	1.97	-42.24
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)C1	REAL300007974493	0	48	-1.0	-53.82	379.88	4.72	-49.10
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)C1	REAL300007974494	0	51	-1.0	-56.42	400.78	5.41	-51.01
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974495	0	48	-1.0	-54.14	388.47	4.97	-49.17
O=C([O-])C1=CC(S(=O)(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)=NN1	REAL300007974496	0	45	-1.0	-44.21	377.21	1.97	-42.24
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974497	0	50	-1.0	-58.68	392.12	4.72	-53.96
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974498	0	45	-1.0	-52.76	365.24	2.58	-50.18
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1CC2(CCOCC2)OC2=CC=CC=C21	REAL300007974499	0	48	-1.0	-57.58	372.39	5.35	-52.23
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974500	0	35	-1.0	-57.00	309.89	1.89	-55.11
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974501	0	42	-1.0	-46.52	348.03	4.11	-42.41
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007974502	0	27	-1.0	-43.66	278.16	1.16	-42.50
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974503	0	37	-1.0	-50.30	314.56	2.08	-48.22
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974504	0	33	-1.0	-44.09	296.73	2.70	-41.39
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007974505	0	34	-1.0	-46.85	310.08	1.84	-45.01
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974506	0	36	-1.0	-55.12	330.06	-0.96	-56.08
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007974507	0	34	-1.0	-44.39	315.82	1.29	-43.10
COC1=CC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1OC	REAL300007974508	0	41	-1.0	-49.50	335.87	1.18	-48.32
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974509	0	33	-1.0	-46.41	293.82	2.55	-43.86
CN(C1CCCCC1)S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974510	0	41	-1.0	-44.48	325.67	2.00	-42.48
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974511	0	36	-1.0	-47.74	305.89	0.59	-47.15
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007974512	0	46	-1.0	-46.26	371.23	5.33	-40.93
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007974513	0	36	-1.0	-50.11	313.89	0.67	-49.44
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O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC1=CC=NS1	REAL300007979031	0	33	-1.0	-46.91	300.55	2.50	-44.41
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CC1=CC(S(=O)(=O)NCCC2=CC=NS2)=CN=C1C(=O)[O-]	REAL300007979034	0	33	-1.0	-55.50	313.63	2.43	-53.07
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CCOC1=CC=C(S(=O)(=O)NCCC2=CC=NS2)C=C1C(=O)[O-]	REAL300007979036	0	38	-1.0	-62.29	350.09	4.65	-57.64
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CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007979043	0	51	-1.0	-54.55	401.53	10.64	-43.91
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007979044	0	51	-1.0	-52.37	390.05	10.07	-42.30
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007979045	0	51	-1.0	-77.24	397.50	11.84	-65.40
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CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007979047	0	51	-1.0	-50.47	402.38	8.63	-41.84
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CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007979049	0	48	-1.0	-55.71	370.07	7.33	-48.38
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007979050	0	56	-1.0	-49.96	410.84	9.48	-40.48
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CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007979052	0	51	-1.0	-77.24	397.50	11.84	-65.40
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007979053	0	48	-1.0	-54.39	390.17	9.22	-45.17
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007979054	0	51	-1.0	-53.46	408.38	9.68	-43.78
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300007979055	0	50	-1.0	-55.48	389.13	9.41	-46.07
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007979056	0	53	-1.0	-66.67	394.58	9.17	-57.50
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007979057	0	56	-1.0	-54.70	419.36	9.77	-44.93
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007979058	0	48	-1.0	-54.39	390.17	9.22	-45.17
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300007979059	0	50	-1.0	-55.48	389.13	9.41	-46.07
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007979060	0	48	-1.0	-53.17	396.26	9.76	-43.41
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007979061	0	48	-1.0	-53.72	393.55	9.71	-44.01
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007979062	0	48	-1.0	-52.64	390.40	8.95	-43.69
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300007979063	0	51	-1.0	-58.95	403.82	9.79	-49.16
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007979064	0	50	-1.0	-50.80	396.53	8.84	-41.96
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007979065	0	47	-1.0	-70.46	375.47	8.42	-62.04
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007979066	0	47	-1.0	-72.56	387.13	8.51	-64.05
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007979067	0	50	-1.0	-79.79	393.81	10.01	-69.78
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)CCCCCC(=O)[O-]	REAL300007979068	0	56	-1.0	-55.07	432.13	10.98	-44.09
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007979069	0	50	-1.0	-53.50	397.47	8.80	-44.70
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300007979070	0	52	-1.0	-51.51	396.50	9.22	-42.29
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007979071	0	54	-1.0	-54.16	412.94	10.66	-43.50
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007979072	0	51	-1.0	-56.41	382.32	8.34	-48.07
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300007979073	0	51	-1.0	-55.57	408.14	9.81	-45.76
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007979074	0	48	-1.0	-70.55	387.85	9.23	-61.32
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007979075	0	51	-1.0	-50.13	374.22	9.50	-40.63
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007979076	0	48	-1.0	-55.71	370.07	7.33	-48.38
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007979077	0	51	-1.0	-56.41	382.32	8.34	-48.07
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007979078	0	50	-1.0	-52.83	397.41	8.74	-44.09
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007979079	0	50	-1.0	-56.65	392.37	8.73	-47.92
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007979080	0	48	-1.0	-47.63	388.74	7.17	-40.46
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007979081	0	51	-1.0	-56.09	408.12	8.60	-47.49
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007979082	0	51	-1.0	-55.37	393.19	9.97	-45.40
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007979083	0	54	-1.0	-58.32	407.45	10.42	-47.90
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007979084	0	51	-1.0	-57.16	401.36	10.09	-47.07
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007979085	0	56	-1.0	-68.15	405.21	10.42	-57.73
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007979086	0	48	-1.0	-47.63	388.74	7.17	-40.46
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007979087	0	53	-1.0	-66.28	388.75	9.43	-56.85
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007979088	0	48	-1.0	-55.71	370.07	7.33	-48.38
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007979089	0	51	-1.0	-63.46	378.03	10.32	-53.14
CCC1(CCC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007979090	0	50	-1.0	-67.94	393.16	10.02	-57.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979091	0	41	-1.0	-56.41	320.49	6.61	-49.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979092	0	42	-1.0	-56.14	339.74	6.03	-50.11
CC1=CC=C(S(=O)(=O)N2CC(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007979093	0	41	-1.0	-52.65	325.62	6.54	-46.11
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C(C)(C)C1	REAL300007979094	0	35	-1.0	-50.25	293.21	5.54	-44.71
CC1CN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C(C)(C)C1	REAL300007979095	0	38	-1.0	-48.77	315.86	4.15	-44.62
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)(C)C1	REAL300007979096	0	35	-1.0	-47.53	303.59	5.22	-42.31
CC1CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)(C)C1	REAL300007979097	0	43	-1.0	-48.21	325.64	5.10	-43.11
CC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C1	REAL300007979098	0	43	-1.0	-46.44	326.65	5.20	-41.24
CC1CN(S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C(C)(C)C1	REAL300007979099	0	38	-1.0	-59.78	320.87	7.70	-52.08
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC(C)CC2(C)C)O1	REAL300007979100	0	38	-1.0	-49.75	314.14	4.89	-44.86
CC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)(C)C1	REAL300007979101	0	41	-1.0	-56.22	335.84	6.89	-49.33
CC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C1	REAL300007979102	0	43	-1.0	-46.44	326.65	5.20	-41.24
CC1CN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C(C)(C)C1	REAL300007979103	0	41	-1.0	-59.04	335.84	6.88	-52.16
CC1CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(C)(C)C1	REAL300007979104	0	42	-1.0	-47.33	340.74	6.30	-41.03
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979105	0	42	-1.0	-52.97	354.87	7.23	-45.74
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)(C)C1	REAL300007979106	0	35	-1.0	-49.35	303.83	5.10	-44.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)CC2(C)C)=C1C	REAL300007979107	0	44	-1.0	-57.99	337.25	7.12	-50.87
CC1=CC=CC(S(=O)(=O)N2CC(C)CC2(C)C)=C1C(=O)[O-]	REAL300007979108	0	41	-1.0	-58.06	321.57	7.19	-50.87
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)CC2(C)C)=C1	REAL300007979109	0	45	-1.0	-54.17	364.70	5.72	-48.45
CC1CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)(C)C1	REAL300007979110	0	35	-1.0	-50.94	301.99	5.09	-45.85
CC1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])C(C)(C)C1	REAL300007979111	0	41	-1.0	-57.34	343.15	8.19	-49.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979112	0	41	-1.0	-48.95	315.04	6.45	-42.50
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)C(C)(C)C1	REAL300007979113	0	41	-1.0	-56.38	329.42	8.01	-48.37
CC1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)(C)C1	REAL300007979114	0	41	-1.0	-48.56	331.86	6.80	-41.76
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC(C)CC2(C)C)C=C1[N+](=O)[O-]	REAL300007979115	0	43	-1.0	-41.93	347.87	7.04	-34.89
CC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)(C)C1	REAL300007979116	0	41	-1.0	-51.91	331.83	6.78	-45.13
CC1=C(S(=O)(=O)N2CC(C)CC2(C)C)C=C(C(=O)[O-])O1	REAL300007979117	0	38	-1.0	-53.21	312.92	5.12	-48.09
CC1CN(S(=O)(=O)C2=CSN=C2C(=O)[O-])C(C)(C)C1	REAL300007979118	0	34	-1.0	-52.48	285.09	3.84	-48.64
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(C)(C)C1	REAL300007979119	0	34	-1.0	-57.09	287.05	3.63	-53.46
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(C)(C)C1	REAL300007979120	0	38	-1.0	-47.30	326.35	6.50	-40.80
CC1CN(S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C(C)(C)C1	REAL300007979121	0	38	-1.0	-47.36	330.91	6.61	-40.75
COC1=CC=C(S(=O)(=O)N2CC(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007979122	0	42	-1.0	-58.26	336.86	6.07	-52.19
CC1=CC(S(=O)(=O)N2CC(C)CC2(C)C)=CC=C1C(=O)[O-]	REAL300007979123	0	41	-1.0	-47.27	325.63	6.55	-40.72
CC1CN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C(C)(C)C1	REAL300007979124	0	43	-1.0	-55.57	346.26	6.67	-48.90
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)CC2(C)C)=C1	REAL300007979125	0	45	-1.0	-54.17	364.70	5.72	-48.45
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(C)(C)C1	REAL300007979126	0	38	-1.0	-47.30	326.35	6.50	-40.80
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979127	0	38	-1.0	-52.18	300.56	5.98	-46.20
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979128	0	41	-1.0	-50.84	333.66	6.97	-43.87
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CC(C)CC3(C)C)C=C21	REAL300007979129	0	44	-1.0	-49.87	356.43	7.37	-42.50
CC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)(C)C1	REAL300007979130	0	41	-1.0	-56.22	335.84	6.89	-49.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979131	0	42	-1.0	-56.14	339.74	6.03	-50.11
CC1=CC=C(S(=O)(=O)N2CC(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007979132	0	41	-1.0	-52.65	325.62	6.54	-46.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979133	0	41	-1.0	-56.41	320.49	6.61	-49.80
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979134	0	42	-1.0	-44.06	349.93	6.18	-37.88
CC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)(C)C1	REAL300007979135	0	41	-1.0	-51.91	331.83	6.78	-45.13
COC1=C(S(=O)(=O)N2CC(C)CC2(C)C)SC(C(=O)[O-])=C1	REAL300007979136	0	39	-1.0	-48.34	332.21	4.56	-43.78
CC1=C(Br)C=C(S(=O)(=O)N2CC(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007979137	0	41	-1.0	-46.42	343.50	7.07	-39.35
CC1CN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C(C)(C)C1	REAL300007979138	0	43	-1.0	-48.05	346.44	6.67	-41.38
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C(C)(C)C1	REAL300007979139	0	41	-1.0	-46.18	339.73	6.82	-39.36
CC1CN(S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(C)(C)C1	REAL300007979140	0	45	-1.0	-52.38	355.79	7.89	-44.49
CCC1=C(S(=O)(=O)N2CC(C)CC2(C)C)C=C(C(=O)[O-])O1	REAL300007979141	0	41	-1.0	-52.77	331.96	5.77	-47.00
CC1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)(C)C1	REAL300007979142	0	40	-1.0	-60.82	333.61	7.86	-52.96
CC1CN(S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)C(C)(C)C1	REAL300007979143	0	41	-1.0	-49.75	347.48	7.54	-42.21
CC1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C(C)(C)C1	REAL300007979144	0	40	-1.0	-52.38	332.29	7.85	-44.53
CC1=NC=C(S(=O)(=O)N2CC(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007979145	0	40	-1.0	-46.13	321.00	4.71	-41.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979146	0	42	-1.0	-48.53	338.04	6.09	-42.44
COC1=CC(S(=O)(=O)N2CC(C)CC2(C)C)=CC=C1C(=O)[O-]	REAL300007979147	0	42	-1.0	-53.09	336.87	6.09	-47.00
COC1=CC=C(S(=O)(=O)N2CC(C)CC2(C)C)C(CC(=O)[O-])=C1	REAL300007979148	0	45	-1.0	-65.53	357.61	6.61	-58.92
CC1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C(C)(C)C1	REAL300007979149	0	41	-1.0	-50.36	337.24	6.83	-43.53
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C(C)(C)C1	REAL300007979150	0	41	-1.0	-45.87	348.33	6.99	-38.88
CC1CN(S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C)(C)C1	REAL300007979151	0	47	-1.0	-49.43	362.86	7.66	-41.77
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)(C)C1	REAL300007979152	0	38	-1.0	-51.40	299.21	4.21	-47.19
CC1CN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C(C)(C)C1	REAL300007979153	0	44	-1.0	-53.13	347.96	8.41	-44.72
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC(C)CC2(C)C)=C1	REAL300007979154	0	38	-1.0	-51.06	313.88	5.02	-46.04
CC1CN(S(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])C(C)(C)C1	REAL300007979155	0	38	-1.0	-59.80	325.43	7.80	-52.00
CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(C)(C)C1	REAL300007979156	0	38	-1.0	-50.38	322.14	6.40	-43.98
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC(C)CC2(C)C)=C1	REAL300007979157	0	42	-1.0	-64.72	333.52	6.50	-58.22
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CC(C)CC2(C)C)=C1OC	REAL300007979158	0	50	-1.0	-50.35	404.34	7.30	-43.05
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)(C)C1	REAL300007979159	0	38	-1.0	-51.40	299.21	4.21	-47.19
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)(C)C1	REAL300007979160	0	40	-2.0	-136.13	336.46	6.97	-129.16
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979161	0	45	-1.0	-48.37	359.14	6.24	-42.13
CC1CN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C(C)(C)C1	REAL300007979162	0	41	-1.0	-58.16	326.03	7.30	-50.86
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)(C)C1	REAL300007979163	0	35	-1.0	-45.86	310.85	4.72	-41.14
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C(C)(C)C1	REAL300007979164	0	44	-1.0	-50.90	343.09	8.03	-42.87
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)CC1(C)C	REAL300007979165	0	45	-1.0	-55.85	361.59	6.96	-48.89
COC1=CC=C(S(=O)(=O)N2CC(C)CC2(C)C)C(C(=O)[O-])=C1	REAL300007979166	0	42	-1.0	-68.96	334.83	6.50	-62.46
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C(C)(C)C1	REAL300007979167	0	38	-1.0	-53.20	317.85	3.91	-49.29
CC1CN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C(C)(C)C1	REAL300007979168	0	44	-1.0	-50.58	355.41	8.25	-42.33
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC(C)CC2(C)C)S1	REAL300007979169	0	38	-1.0	-49.68	322.03	5.76	-43.92
CC1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C(C)(C)C1	REAL300007979170	0	44	-1.0	-72.56	351.17	9.49	-63.07
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)C(C)(C)C1	REAL300007979171	0	41	-1.0	-43.28	340.16	7.54	-35.74
CC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)(C)C1	REAL300007979172	0	41	-1.0	-59.86	319.36	6.75	-53.11
CC1CN(S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C(C)(C)C1	REAL300007979173	0	38	-1.0	-47.09	340.34	6.63	-40.46
CC1CN(S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C(C)(C)C1	REAL300007979174	0	41	-1.0	-67.70	333.07	4.52	-63.18
CC1CN(S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C(C)(C)C1	REAL300007979175	0	41	-1.0	-45.11	341.69	7.45	-37.66
CC1CN(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)(C)C1	REAL300007979176	0	43	-1.0	-55.93	314.57	5.95	-49.98
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C(C)(C)C1	REAL300007979177	0	35	-1.0	-43.76	307.84	6.03	-37.73
CC1=CC(S(=O)(=O)N2CC(C)CC2(C)C)=CN=C1C(=O)[O-]	REAL300007979178	0	40	-1.0	-50.16	322.29	4.74	-45.42
CC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)(C)C1	REAL300007979179	0	41	-1.0	-59.86	319.36	6.75	-53.11
CCOC1=CC=C(S(=O)(=O)N2CC(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007979180	0	45	-1.0	-59.06	358.75	6.98	-52.08
CC1CN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(C)(C)C1	REAL300007979181	0	45	-1.0	-48.55	355.10	7.89	-40.66
CC1CN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)C(C)(C)C1	REAL300007979182	0	43	-1.0	-53.50	351.26	6.38	-47.12
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)OC1	REAL300007979183	0	42	-1.0	-48.69	346.58	4.30	-44.39
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)OC1	REAL300007979184	0	42	-1.0	-54.58	346.46	4.29	-50.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979185	0	45	-1.0	-56.11	361.22	5.20	-50.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979186	0	46	-1.0	-56.07	366.85	4.12	-51.95
CC1=CC=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C=C1C(=O)[O-]	REAL300007979187	0	45	-1.0	-51.89	362.61	4.83	-47.06
CC1(C)CCC(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)OC1	REAL300007979188	0	39	-1.0	-47.65	329.74	4.08	-43.57
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)OC1	REAL300007979189	0	42	-1.0	-54.58	346.46	4.29	-50.29
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)OC1	REAL300007979190	0	42	-1.0	-48.69	346.58	4.30	-44.39
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])OC1	REAL300007979191	0	42	-1.0	-51.23	335.89	5.18	-46.05
CC1(C)CCC(CNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)OC1	REAL300007979192	0	40	-1.0	-51.37	335.12	2.00	-49.37
CC1(C)CCC(CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)OC1	REAL300007979193	0	42	-1.0	-52.05	351.19	2.42	-49.63
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)OC1	REAL300007979194	0	39	-1.0	-47.35	338.72	3.42	-43.93
CC1(C)CCC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])OC1	REAL300007979195	0	39	-1.0	-53.47	322.57	1.33	-52.14
CC1(C)CCC(CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)OC1	REAL300007979196	0	47	-1.0	-48.22	362.73	3.35	-44.87
CC1(C)CCC(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)OC1	REAL300007979197	0	47	-1.0	-48.87	363.13	3.39	-45.48
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])OC1	REAL300007979198	0	42	-1.0	-51.23	335.89	5.18	-46.05
CC1(C)CCC(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])OC1	REAL300007979199	0	42	-1.0	-44.92	352.52	5.68	-39.24
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)OC1	REAL300007979200	0	39	-1.0	-49.02	331.35	2.67	-46.35
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CCC(C)(C)CO2)O1	REAL300007979201	0	42	-1.0	-50.61	349.45	3.13	-47.48
CC1(C)CCC(CNS(=O)(=O)N2CCCC2C(=O)[O-])OC1	REAL300007979202	0	44	-1.0	-46.63	346.18	3.12	-43.51
CC1(C)CCC(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)OC1	REAL300007979203	0	45	-1.0	-59.81	370.38	5.02	-54.79
CC1(C)CCC(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)OC1	REAL300007979204	0	47	-1.0	-48.87	363.13	3.39	-45.48
CC1(C)CCC(CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)OC1	REAL300007979205	0	45	-1.0	-61.58	370.38	5.01	-56.57
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)OC1	REAL300007979206	0	39	-1.0	-49.02	331.35	2.67	-46.35
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)OC1	REAL300007979207	0	46	-1.0	-48.60	377.54	4.59	-44.01
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979208	0	46	-1.0	-44.06	377.44	5.26	-38.80
CC1(C)CCC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)OC1	REAL300007979209	0	39	-1.0	-49.72	339.78	3.32	-46.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCC(C)(C)CO2)=C1C	REAL300007979210	0	48	-1.0	-57.31	378.22	5.73	-51.58
CC1=CC=CC(S(=O)(=O)NCC2CCC(C)(C)CO2)=C1C(=O)[O-]	REAL300007979211	0	45	-1.0	-55.34	363.40	5.34	-50.00
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCC(C)(C)CO2)=C1	REAL300007979212	0	49	-1.0	-54.23	401.66	4.01	-50.22
CC1(C)CCC(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)OC1	REAL300007979213	0	39	-1.0	-51.49	338.25	3.32	-48.17
CC1(C)CCC(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])OC1	REAL300007979214	0	45	-1.0	-45.30	374.76	6.18	-39.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979215	0	45	-1.0	-50.80	355.69	5.05	-45.75
CC1(C)CCC(CNS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)OC1	REAL300007979216	0	45	-1.0	-53.16	374.10	6.63	-46.53
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)OC1	REAL300007979217	0	45	-1.0	-49.46	368.77	5.08	-44.38
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C=C1[N+](=O)[O-]	REAL300007979218	0	47	-1.0	-42.58	384.84	5.33	-37.25
CC1(C)CCC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)OC1	REAL300007979219	0	39	-1.0	-49.05	331.61	2.40	-46.65
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)OC1	REAL300007979220	0	45	-1.0	-52.49	368.63	5.07	-47.42
CC1=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C=C(C(=O)[O-])O1	REAL300007979221	0	42	-1.0	-51.77	351.21	3.40	-48.37
CC1(C)CCC(CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)OC1	REAL300007979222	0	41	-1.0	-48.33	341.62	2.49	-45.84
CC1(C)CCC(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])OC1	REAL300007979223	0	38	-1.0	-51.29	324.06	2.55	-48.74
CC1(C)CCC(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)OC1	REAL300007979224	0	38	-1.0	-55.54	328.19	2.00	-53.54
CC1(C)CCC(CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])OC1	REAL300007979225	0	41	-1.0	-54.34	332.81	3.37	-50.97
CC1(C)CCC(CNS(=O)(=O)CCCCCC(=O)[O-])OC1	REAL300007979226	0	47	-1.0	-52.22	375.49	4.49	-47.73
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)OC1	REAL300007979227	0	41	-1.0	-50.51	342.46	2.51	-48.00
CC1(C)CCC(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)OC1	REAL300007979228	0	42	-1.0	-46.94	363.32	4.80	-42.14
COC1=CC=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C=C1C(=O)[O-]	REAL300007979229	0	46	-1.0	-58.90	373.88	4.36	-54.54
CC1=CC(S(=O)(=O)NCC2CCC(C)(C)CO2)=CC=C1C(=O)[O-]	REAL300007979230	0	45	-1.0	-48.17	362.62	4.84	-43.33
CN(CCC(=O)[O-])S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979231	0	43	-1.0	-49.49	345.61	2.52	-46.97
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)OC1	REAL300007979232	0	47	-1.0	-53.49	379.20	4.74	-48.75
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCC(C)(C)CO2)=C1	REAL300007979233	0	49	-1.0	-54.23	401.66	4.01	-50.22
CC1(C)CCC(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)OC1	REAL300007979234	0	42	-1.0	-46.94	363.32	4.80	-42.14
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979235	0	42	-1.0	-53.33	343.61	4.62	-48.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979236	0	45	-1.0	-50.20	375.04	5.64	-44.56
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3CCC(C)(C)CO3)C=C21	REAL300007979237	0	48	-1.0	-51.30	393.56	5.64	-45.66
CC1(C)CCC(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)OC1	REAL300007979238	0	45	-1.0	-59.81	370.38	5.02	-54.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979239	0	46	-1.0	-56.07	366.85	4.12	-51.95
CC1=CC=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C=C1C(=O)[O-]	REAL300007979240	0	45	-1.0	-51.89	362.61	4.83	-47.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979241	0	45	-1.0	-56.11	361.22	5.20	-50.91
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979242	0	46	-1.0	-45.92	380.90	4.31	-41.61
CC1(C)CCC(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)OC1	REAL300007979243	0	45	-1.0	-49.49	356.81	4.17	-45.32
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)OC1	REAL300007979244	0	45	-1.0	-52.49	368.63	5.07	-47.42
COC1=C(S(=O)(=O)NCC2CCC(C)(C)CO2)SC(C(=O)[O-])=C1	REAL300007979245	0	43	-1.0	-47.12	364.82	2.59	-44.53
CC1(C)CCC(CNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)OC1	REAL300007979246	0	47	-1.0	-49.45	383.27	4.95	-44.50
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)OC1	REAL300007979247	0	45	-1.0	-47.27	376.72	5.11	-42.16
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)OC1	REAL300007979248	0	49	-1.0	-53.75	392.60	6.19	-47.56
CCC1=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C=C(C(=O)[O-])O1	REAL300007979249	0	45	-1.0	-51.31	370.80	4.22	-47.09
CC1(C)CCC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])OC1	REAL300007979250	0	44	-1.0	-44.72	364.09	5.85	-38.87
CC1(C)CCC(CNS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)OC1	REAL300007979251	0	45	-1.0	-50.95	384.47	5.79	-45.16
CC1(C)CCC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])OC1	REAL300007979252	0	44	-1.0	-41.87	363.92	5.84	-36.03
CC1=NC=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C=C1C(=O)[O-]	REAL300007979253	0	44	-1.0	-46.01	358.04	3.01	-43.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979254	0	46	-1.0	-48.59	366.98	4.12	-44.47
COC1=CC(S(=O)(=O)NCC2CCC(C)(C)CO2)=CC=C1C(=O)[O-]	REAL300007979255	0	46	-1.0	-53.77	373.86	4.37	-49.40
COC1=CC=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C(CC(=O)[O-])=C1	REAL300007979256	0	49	-1.0	-58.91	388.46	4.78	-54.13
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)OC1	REAL300007979257	0	45	-1.0	-47.71	374.23	5.12	-42.59
CC1(C)CCC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)OC1	REAL300007979258	0	45	-1.0	-46.36	385.64	5.29	-41.07
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C=C1	REAL300007979259	0	51	-1.0	-50.71	399.76	5.94	-44.77
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979260	0	42	-1.0	-51.61	338.48	2.63	-48.98
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)OC1	REAL300007979261	0	48	-1.0	-50.37	382.84	6.51	-43.86
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2CCC(C)(C)CO2)=C1	REAL300007979262	0	42	-1.0	-49.82	349.19	3.25	-46.57
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)OC1	REAL300007979263	0	42	-1.0	-52.54	358.97	4.68	-47.86
CC1(C)CCC(CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)OC1	REAL300007979264	0	39	-1.0	-61.48	326.99	2.70	-58.78
CC1(C)CCC(CNS(=O)(=O)C2(C(=O)[O-])CCC2)OC1	REAL300007979265	0	42	-1.0	-47.18	331.17	3.50	-43.68
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2CCC(C)(C)CO2)=C1	REAL300007979266	0	46	-1.0	-49.48	365.38	4.50	-44.98
CC1(C)CCC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])OC1	REAL300007979267	0	39	-1.0	-53.47	322.57	1.33	-52.14
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979268	0	42	-1.0	-51.61	338.48	2.63	-48.98
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)OC1	REAL300007979269	0	44	-2.0	-134.04	373.47	5.26	-128.78
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979270	0	49	-1.0	-54.06	393.18	4.40	-49.66
CC1(C)CCC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)OC1	REAL300007979271	0	41	-1.0	-47.39	342.80	2.42	-44.97
CC1(C)CCC(CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])OC1	REAL300007979272	0	45	-1.0	-57.79	360.35	5.45	-52.34
CC1(C)CCC(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)OC1	REAL300007979273	0	39	-1.0	-46.68	346.12	2.94	-43.74
CC1(C)CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)OC1	REAL300007979273	1	38	-2.0	-98.61	344.01	2.58	-96.03
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)OC1	REAL300007979274	0	48	-1.0	-50.78	382.33	6.53	-44.25
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979275	0	49	-1.0	-55.61	388.71	5.04	-50.57
COC1=CC=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C(C(=O)[O-])=C1	REAL300007979276	0	46	-1.0	-51.78	365.33	4.47	-47.31
CC1(C)CCC(CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)OC1	REAL300007979277	0	41	-1.0	-55.20	342.68	2.51	-52.69
CC1(C)CCC(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)OC1	REAL300007979278	0	39	-1.0	-43.99	329.94	0.55	-43.44
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC(C)(C)CO1	REAL300007979279	0	42	-1.0	-53.87	348.10	2.04	-51.83
CC1(C)CCC(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)OC1	REAL300007979280	0	48	-1.0	-52.26	392.50	6.54	-45.72
CC1(C)CCC(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)OC1	REAL300007979281	0	42	-1.0	-54.10	334.98	3.34	-50.76
CC1(C)CCC(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)OC1	REAL300007979282	0	45	-1.0	-56.49	353.64	4.01	-52.48
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CCC(C)(C)CO2)S1	REAL300007979283	0	42	-1.0	-50.70	356.54	3.98	-46.72
CC1(C)CCC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])OC1	REAL300007979284	0	48	-1.0	-56.76	381.47	7.46	-49.30
CC1(C)CCC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)OC1	REAL300007979285	0	45	-1.0	-46.80	371.25	5.90	-40.90
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])OC1	REAL300007979286	0	45	-1.0	-58.26	358.95	5.48	-52.78
CC1(C)CCC(CNS(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)OC1	REAL300007979287	0	42	-1.0	-48.56	376.33	4.88	-43.68
CC1(C)CCC(CNS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)OC1	REAL300007979288	0	45	-1.0	-65.96	372.93	2.93	-63.03
CC1(C)CCC(CNS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)OC1	REAL300007979289	0	45	-1.0	-45.56	373.19	5.53	-40.03
CC1(C)CCC(CNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])OC1	REAL300007979290	0	42	-1.0	-52.94	343.12	3.61	-49.33
CC1(C)CCC(CNS(=O)(=O)N2CCCCC2C(=O)[O-])OC1	REAL300007979291	0	47	-1.0	-52.12	353.62	4.36	-47.76
CC1(C)CCC(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)OC1	REAL300007979292	0	39	-1.0	-43.99	329.94	0.55	-43.44
CC1(C)CCC(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])OC1	REAL300007979293	0	44	-1.0	-60.88	348.37	3.15	-57.73
CC1(C)CCC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])OC1	REAL300007979294	0	39	-1.0	-53.47	322.57	1.33	-52.14
CC1(C)CCC(CNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)OC1	REAL300007979295	0	39	-1.0	-42.57	346.75	4.71	-37.86
CC1(C)CCC(CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])OC1	REAL300007979296	0	42	-1.0	-60.52	326.85	4.05	-56.47
CC1=CC(S(=O)(=O)NCC2CCC(C)(C)CO2)=CN=C1C(=O)[O-]	REAL300007979297	0	44	-1.0	-50.98	358.99	3.05	-47.93
CC1(C)CCC(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])OC1	REAL300007979298	0	45	-1.0	-58.26	358.95	5.48	-52.78
CCOC1=CC=C(S(=O)(=O)NCC2CCC(C)(C)CO2)C=C1C(=O)[O-]	REAL300007979299	0	49	-1.0	-58.39	395.74	5.27	-53.12
CC1(C)CCC(CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)OC1	REAL300007979300	0	49	-1.0	-48.07	390.69	6.17	-41.90
CC1(C)CCC(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])OC1	REAL300007979301	0	41	-1.0	-45.33	331.44	3.38	-41.95
CC1(C)CCC(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)OC1	REAL300007979302	0	47	-1.0	-55.52	388.36	4.67	-50.85
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(F)=C1	REAL300007979303	0	29	-1.0	-38.95	272.01	4.37	-34.58
CC(=O)C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979304	0	34	-1.0	-45.42	308.36	4.79	-40.63
CCCCN(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979305	0	36	-1.0	-51.09	310.08	4.78	-46.31
CCC(C)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979306	0	41	-1.0	-43.98	344.28	6.89	-37.09
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300007979307	0	29	-1.0	-40.94	275.27	4.04	-36.90
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007979308	0	26	-1.0	-37.72	270.43	3.87	-33.85
COC1=CC=C(C)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979309	0	36	-1.0	-56.35	313.20	5.68	-50.67
CC1=CC=C(Br)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979310	0	32	-1.0	-51.63	294.87	6.26	-45.37
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007979311	0	33	-1.0	-51.74	309.49	5.48	-46.26
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCOCC1	REAL300007979312	0	32	-1.0	-49.75	278.20	1.91	-47.84
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979313	0	35	-1.0	-50.00	322.51	1.70	-48.30
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007979314	0	33	-1.0	-50.63	314.35	4.94	-45.69
COC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1OC	REAL300007979315	0	40	-1.0	-52.52	335.13	4.70	-47.82
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979316	0	32	-1.0	-48.97	291.29	6.13	-42.84
CN(C1CCCCC1)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979317	0	40	-1.0	-50.97	326.69	5.44	-45.53
CC1=NN(C)C(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979318	0	35	-1.0	-53.36	305.55	4.18	-49.18
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007979319	0	45	-1.0	-51.12	370.19	8.95	-42.17
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007979320	0	35	-1.0	-51.93	312.80	4.30	-47.63
CCC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979321	0	35	-1.0	-42.21	304.71	5.62	-36.59
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007979322	0	29	-1.0	-51.61	277.61	5.60	-46.01
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007979323	0	29	-1.0	-39.13	286.89	4.92	-34.21
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979324	0	34	-1.0	-38.37	292.56	6.08	-32.29
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007979325	0	35	-1.0	-53.04	332.01	6.99	-46.05
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979326	0	39	-1.0	-62.71	351.34	1.76	-60.95
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979327	0	40	-1.0	-40.47	348.03	6.14	-34.33
CC1=CC(F)=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979328	0	32	-1.0	-39.74	293.41	5.03	-34.71
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007979329	0	35	-1.0	-42.83	309.87	4.78	-38.05
COCC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979330	0	36	-1.0	-44.29	320.67	4.03	-40.26
CCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979331	0	35	-1.0	-43.77	314.66	1.84	-41.93
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979332	0	38	-1.0	-55.74	350.63	2.52	-53.22
CS(=O)(=O)CCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979333	0	34	-1.0	-67.05	317.01	1.24	-65.81
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1C	REAL300007979334	0	39	-1.0	-52.30	322.67	5.44	-46.86
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007979335	0	32	-1.0	-54.27	314.32	6.45	-47.82
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007979336	0	34	-1.0	-52.18	309.32	5.53	-46.65
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=NN1C	REAL300007979337	0	32	-1.0	-54.84	284.03	3.24	-51.60
CN(C1CCOCC1)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979338	0	38	-1.0	-50.84	317.10	3.03	-47.81
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CC2CCC1C2	REAL300007979339	0	35	-1.0	-52.64	295.87	4.68	-47.96
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007979340	0	38	-1.0	-55.02	336.72	6.16	-48.86
CCN1N=C(C)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1C	REAL300007979341	0	38	-1.0	-53.38	327.35	5.05	-48.33
CC(C)N1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979342	0	35	-1.0	-50.21	313.10	4.26	-45.95
CC(C)CN1C=NC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979343	0	38	-1.0	-54.97	332.89	6.14	-48.83
CC(C)N1C=NC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979344	0	35	-1.0	-54.89	313.96	5.55	-49.34
CC(C)C1=NC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CN1	REAL300007979345	0	35	-1.0	-55.07	310.96	3.09	-51.98
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979346	0	41	-1.0	-54.43	323.71	7.95	-46.48
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979347	0	37	-1.0	-44.99	331.97	3.72	-41.27
COC1=CC(Cl)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1OC	REAL300007979348	0	37	-1.0	-50.25	333.70	4.68	-45.57
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1Br	REAL300007979349	0	32	-1.0	-49.38	307.81	6.34	-43.04
CC1=C(F)C=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979350	0	32	-1.0	-48.71	278.53	5.66	-43.05
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007979351	0	35	-1.0	-52.08	318.13	7.49	-44.59
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007979352	0	33	-1.0	-51.41	313.78	4.79	-46.62
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007979353	0	36	-1.0	-52.09	328.62	6.72	-45.37
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979354	0	44	-1.0	-53.07	367.20	6.59	-46.48
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007979355	0	32	-1.0	-40.89	299.77	5.23	-35.66
COCC1=CC=C(OC)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979356	0	40	-1.0	-57.93	346.83	4.73	-53.20
COCCC(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979357	0	35	-1.0	-53.35	297.72	3.46	-49.89
COC1=CC=C(F)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979358	0	33	-1.0	-55.29	299.59	5.10	-50.19
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979359	0	40	-1.0	-57.64	350.15	5.42	-52.22
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C	REAL300007979360	0	40	-1.0	-53.58	359.46	2.24	-51.34
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007979361	0	47	-1.0	-50.46	357.03	6.65	-43.81
CC1=NC2=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300007979362	0	37	-1.0	-61.27	325.07	6.74	-54.53
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007979363	0	37	-1.0	-57.89	332.83	7.10	-50.79
CCN(CC1CC1)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979364	0	37	-1.0	-51.31	317.79	5.54	-45.77
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007979365	0	40	-1.0	-52.59	345.48	3.71	-48.88
CCCN1C=NC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979366	0	35	-1.0	-55.06	315.67	5.91	-49.15
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCOCC1CC1	REAL300007979367	0	36	-1.0	-50.85	319.08	4.51	-46.34
CC(COC1CCCC1)CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979368	0	45	-1.0	-41.40	366.45	5.77	-35.63
CCOCC(C)CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979369	0	38	-1.0	-55.17	326.06	4.30	-50.87
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979370	0	36	-1.0	-49.43	336.57	5.44	-43.99
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007979371	0	37	-1.0	-51.87	327.12	2.92	-48.95
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007979372	0	33	-1.0	-52.38	307.93	5.34	-47.04
COC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007979373	0	35	-1.0	-47.98	323.89	5.89	-42.09
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979374	0	35	-1.0	-48.25	313.65	6.64	-41.61
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979375	0	35	-1.0	-52.34	312.41	6.64	-45.70
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007979376	0	35	-1.0	-39.94	320.02	5.81	-34.13
CC(C)C1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979377	0	38	-1.0	-43.59	312.50	5.94	-37.65
CCOC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979378	0	36	-1.0	-49.36	316.95	4.53	-44.83
COCCN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979379	0	36	-1.0	-49.83	328.11	2.78	-47.05
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007979380	0	36	-1.0	-42.95	326.10	4.73	-38.22
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007979381	0	37	-1.0	-55.01	341.50	7.38	-47.63
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007979382	0	34	-1.0	-51.79	311.52	5.22	-46.57
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007979383	0	32	-1.0	-40.91	310.99	5.71	-35.20
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007979384	0	32	-1.0	-43.33	306.55	5.66	-37.67
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007979385	0	36	-1.0	-70.21	332.96	3.01	-67.20
CC1=CC(Br)=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979386	0	32	-1.0	-39.99	308.31	5.58	-34.41
CC1=C(Br)C=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979387	0	32	-1.0	-48.75	291.30	6.13	-42.62
COCC1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979388	0	36	-1.0	-42.17	307.53	4.10	-38.07
COC1=CC(OC)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300007979389	0	37	-1.0	-55.90	339.22	4.60	-51.30
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007979390	0	32	-1.0	-51.91	312.32	4.23	-47.68
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007979391	0	32	-1.0	-51.07	307.42	4.02	-47.05
CC1(C)CC2=CC(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CC=C2O1	REAL300007979392	0	40	-1.0	-51.40	345.82	6.38	-45.02
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007979393	0	32	-1.0	-51.65	305.99	4.17	-47.48
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979394	0	41	-1.0	-50.13	369.27	3.52	-46.61
CSC1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979395	0	33	-1.0	-55.96	297.58	5.83	-50.13
CCC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979396	0	35	-1.0	-43.42	308.50	5.73	-37.69
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979397	0	40	-1.0	-60.45	347.20	4.11	-56.34
CCC1=CC=C(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979398	0	38	-1.0	-43.86	332.51	6.55	-37.31
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1=CC=CS1	REAL300007979399	0	32	-1.0	-51.94	303.50	5.79	-46.15
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979400	0	38	-1.0	-48.00	347.76	2.72	-45.28
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979401	0	39	-1.0	-64.71	353.92	2.56	-62.15
CC1=CC=C(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C	REAL300007979402	0	38	-1.0	-56.52	331.37	7.03	-49.49
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007979403	0	43	-1.0	-52.15	376.54	8.20	-43.95
CC(C)CN(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979404	0	36	-1.0	-52.19	304.96	4.26	-47.93
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007979405	0	33	-1.0	-52.01	318.27	5.80	-46.21
CN(C1CCCC1)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979406	0	37	-1.0	-51.91	308.10	4.87	-47.04
CC1(C)CN(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CCO1	REAL300007979407	0	38	-1.0	-41.06	310.28	2.63	-38.43
CC1=NOC(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979408	0	31	-1.0	-39.69	286.66	3.26	-36.43
CC(C)N1N=CC2=CC(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CC=C21	REAL300007979409	0	41	-1.0	-52.65	359.08	6.67	-45.98
CCS(=O)(=O)NCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979410	0	36	-1.0	-60.41	331.88	-0.05	-60.46
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007979411	0	35	-1.0	-49.82	326.03	6.15	-43.67
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007979412	0	32	-1.0	-40.13	317.01	6.17	-33.96
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007979413	0	35	-1.0	-46.69	328.31	6.96	-39.73
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007979414	0	32	-1.0	-50.33	316.49	6.84	-43.49
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007979415	0	35	-1.0	-60.28	320.33	7.59	-52.69
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1CCCO1	REAL300007979416	0	36	-1.0	-46.10	307.63	3.19	-42.91
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007979417	0	35	-1.0	-41.95	322.80	5.96	-35.99
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007979418	0	40	-1.0	-54.60	349.17	6.54	-48.06
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007979419	0	40	-1.0	-59.27	368.05	2.25	-57.02
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007979420	0	38	-1.0	-47.25	332.75	7.12	-40.13
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1N(C)C	REAL300007979421	0	40	-1.0	-42.58	340.20	4.96	-37.62
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007979422	0	35	-1.0	-54.71	330.50	7.18	-47.53
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007979423	0	34	-1.0	-55.97	303.62	2.14	-53.83
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCOCC1CCCC1	REAL300007979424	0	42	-1.0	-51.51	354.75	5.44	-46.07
COC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300007979425	0	36	-1.0	-52.50	319.04	5.49	-47.01
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979426	0	38	-1.0	-67.83	352.48	3.44	-64.39
CSC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300007979427	0	33	-1.0	-51.91	323.52	6.62	-45.29
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979428	0	41	-1.0	-45.68	330.39	4.28	-41.40
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007979429	0	37	-1.0	-46.41	336.78	2.79	-43.62
CCC1=NOC2=NC=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C12	REAL300007979430	0	36	-1.0	-46.97	329.60	2.86	-44.11
CN1N=CC2=CC(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CN=C21	REAL300007979431	0	34	-1.0	-51.81	312.72	4.28	-47.53
CCC1=CC(CC)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(CC)=C1	REAL300007979432	0	47	-1.0	-39.30	356.11	8.43	-30.87
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007979433	0	36	-1.0	-46.72	311.82	4.23	-42.49
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007979434	0	35	-1.0	-47.86	336.96	3.23	-44.63
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007979435	0	38	-1.0	-50.12	328.49	7.77	-42.35
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1F	REAL300007979436	0	36	-1.0	-51.96	311.26	4.86	-47.10
CC1(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CCCCC1	REAL300007979437	0	41	-1.0	-53.12	317.87	6.68	-46.44
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007979438	0	38	-1.0	-51.92	329.43	6.62	-45.30
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979439	0	47	0.0	-53.46	378.97	5.30	-48.16
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007979440	0	37	-1.0	-50.08	339.88	6.13	-43.95
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979441	0	36	-1.0	-49.91	340.16	5.38	-44.53
CC1=CC=C(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(F)=C1	REAL300007979442	0	35	-1.0	-49.49	316.46	5.81	-43.68
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979443	0	41	0.0	-63.21	343.97	6.21	-57.00
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007979444	0	29	-1.0	-37.46	294.03	4.43	-33.03
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007979445	0	42	-1.0	-54.18	356.77	8.50	-45.68
CC(C)(C)C1=CC(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=NO1	REAL300007979446	0	40	-1.0	-58.05	349.90	5.95	-52.10
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007979447	0	38	-1.0	-50.37	327.30	1.56	-48.81
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007979448	0	32	-1.0	-46.48	303.48	5.44	-41.04
CC1=C(CCS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])SC=N1	REAL300007979449	0	34	-1.0	-52.90	317.19	4.44	-48.46
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007979450	0	39	-1.0	-54.58	316.41	6.61	-47.97
COC1=CC=C2C=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])CCC2=C1	REAL300007979451	0	41	-1.0	-53.01	352.32	6.85	-46.16
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1CCOC1	REAL300007979452	0	36	-1.0	-53.95	308.70	3.77	-50.18
CC(C)(CCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300007979453	0	40	-1.0	-66.40	341.27	2.32	-64.08
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007979454	0	38	-1.0	-50.90	320.25	6.36	-44.54
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007979455	0	36	-1.0	-55.45	320.70	7.11	-48.34
CCC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007979456	0	37	-1.0	-56.38	330.78	6.98	-49.40
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007979457	0	29	-1.0	-40.24	282.33	4.82	-35.42
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007979458	0	29	-1.0	-40.18	286.90	4.92	-35.26
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007979459	0	31	-1.0	-37.54	290.01	4.85	-32.69
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007979460	0	35	-1.0	-53.42	314.29	7.42	-46.00
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007979461	0	31	-1.0	-36.73	293.82	4.97	-31.76
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979462	0	34	-1.0	-55.90	301.91	6.30	-49.60
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979463	0	33	-1.0	-42.84	295.09	3.61	-39.23
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007979464	0	31	-1.0	-68.11	288.94	6.77	-61.34
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979465	0	32	-1.0	-44.27	287.01	4.98	-39.29
CCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979466	0	36	-1.0	-41.18	313.08	4.41	-36.77
CC1=CC(C)=C(C)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1C	REAL300007979467	0	41	-1.0	-42.48	320.17	6.67	-35.81
CC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007979468	0	38	-1.0	-51.28	312.99	7.12	-44.16
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979469	0	44	-1.0	-53.65	349.81	7.96	-45.69
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007979470	0	32	-1.0	-53.30	309.08	5.85	-47.45
CC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979471	0	32	-1.0	-53.59	291.75	5.51	-48.08
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C=CC1=CC=CC=C1	REAL300007979472	0	33	-1.0	-45.35	296.80	5.54	-39.81
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007979473	0	32	-1.0	-46.16	290.00	5.54	-40.62
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007979474	0	29	-1.0	-39.21	282.33	4.82	-34.39
CC(=O)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979475	0	34	-1.0	-41.10	308.33	4.80	-36.30
CC1=CC=C(C)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979476	0	35	-1.0	-52.98	295.08	6.30	-46.68
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C	REAL300007979477	0	35	-1.0	-44.95	304.02	5.50	-39.45
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007979478	0	35	-1.0	-52.95	295.98	6.28	-46.67
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007979479	0	35	-1.0	-38.29	321.11	5.05	-33.24
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979480	0	41	-1.0	-44.32	341.81	6.62	-37.70
CC(C)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979481	0	38	-1.0	-44.03	325.83	6.23	-37.80
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979482	0	40	-1.0	-47.66	361.11	2.30	-45.36
CCCC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979483	0	38	-1.0	-43.74	330.00	6.52	-37.22
COC1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979484	0	33	-1.0	-56.15	293.36	5.01	-51.14
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=CC=C1	REAL300007979485	0	32	-1.0	-44.08	289.62	5.10	-38.98
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300007979486	0	32	-1.0	-48.69	307.86	6.33	-42.36
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)=C1	REAL300007979487	0	43	-1.0	-51.27	380.13	8.73	-42.54
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007979488	0	33	-1.0	-41.01	311.58	4.10	-36.91
CC1=C(C)C(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1C	REAL300007979489	0	44	-1.0	-43.05	332.59	7.14	-35.91
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007979490	0	38	-1.0	-53.65	331.13	5.08	-48.57
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979491	0	45	-1.0	-56.92	367.91	7.33	-49.59
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007979492	0	34	-1.0	-56.47	312.57	6.34	-50.13
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979493	0	47	-1.0	-50.85	367.05	8.79	-42.06
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007979494	0	32	-1.0	-39.58	304.34	5.30	-34.28
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007979495	0	39	-1.0	-43.10	324.53	6.68	-36.42
COC1=CC=C(OC)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979496	0	37	-1.0	-58.41	322.66	4.32	-54.09
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1OC	REAL300007979497	0	37	-1.0	-51.61	327.08	4.35	-47.26
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007979498	0	36	-1.0	-44.52	307.33	6.09	-38.43
CC1=NOC(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979499	0	31	-1.0	-43.28	276.67	3.07	-40.21
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007979500	0	37	-1.0	-52.25	322.87	7.55	-44.70
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007979501	0	34	-1.0	-51.64	304.30	5.00	-46.64
CC(C)CCC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979502	0	44	-1.0	-43.60	369.06	7.81	-35.79
CCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1OCC	REAL300007979503	0	43	-1.0	-52.62	370.78	6.19	-46.43
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979504	0	34	-1.0	-46.29	315.95	-0.85	-47.14
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1C	REAL300007979505	0	37	-1.0	-55.56	319.84	6.80	-48.76
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCCCCC1	REAL300007979506	0	37	-1.0	-52.92	302.83	5.07	-47.85
CC1=CC2=CC=CC(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=C2N=C1	REAL300007979507	0	37	-1.0	-59.77	326.26	6.73	-53.04
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007979508	0	35	-1.0	-49.80	311.25	5.23	-44.57
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979509	0	33	-1.0	-51.28	309.95	5.55	-45.73
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979510	0	34	-1.0	-58.94	322.59	0.10	-58.84
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979511	0	37	-1.0	-54.90	335.30	6.41	-48.49
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007979512	0	38	-1.0	-51.18	325.07	6.45	-44.73
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300007979513	0	37	-1.0	-54.09	318.94	6.01	-48.08
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C	REAL300007979514	0	37	-1.0	-52.98	321.54	7.15	-45.83
CC1CCN(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300007979515	0	37	-1.0	-50.84	308.85	4.82	-46.02
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979516	0	40	-1.0	-44.92	361.17	2.30	-42.62
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007979517	0	41	-1.0	-56.06	354.27	4.51	-51.55
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979518	0	35	-1.0	-49.04	326.30	1.82	-47.22
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007979519	0	39	-1.0	-48.24	333.77	8.02	-40.22
CC1CC(C)CN(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300007979520	0	40	-1.0	-52.65	324.72	5.48	-47.17
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007979521	0	35	-1.0	-57.96	303.64	7.08	-50.88
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007979522	0	39	-1.0	-45.71	339.77	7.72	-37.99
CC1=CC=C(F)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979523	0	32	-1.0	-52.57	279.98	5.71	-46.86
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=CC=C12	REAL300007979524	0	43	-1.0	-53.07	356.79	7.09	-45.98
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007979525	0	30	-1.0	-54.77	291.82	3.30	-51.47
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979526	0	33	-1.0	-54.56	309.92	5.55	-49.01
COC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979527	0	33	-1.0	-55.22	297.85	4.44	-50.78
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979528	0	44	-1.0	-44.49	356.04	7.09	-37.40
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300007979529	0	32	-1.0	-49.34	303.78	6.26	-43.08
CC(C)OC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979530	0	39	-1.0	-44.56	334.86	5.16	-39.40
CCC1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979531	0	35	-1.0	-44.23	294.43	5.68	-38.55
CC1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979532	0	32	-1.0	-53.10	274.63	5.61	-47.49
CC1=NC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CN1C	REAL300007979533	0	32	-1.0	-46.03	289.57	3.10	-42.93
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007979534	0	30	-1.0	-53.16	282.41	3.88	-49.28
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007979535	0	34	-1.0	-60.31	304.85	6.08	-54.23
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979536	0	35	-1.0	-48.70	321.44	5.69	-43.01
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1F	REAL300007979537	0	33	-1.0	-53.09	304.03	4.52	-48.57
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1F	REAL300007979538	0	32	-1.0	-49.19	295.04	5.85	-43.34
CC1CCCCN1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979539	0	37	-1.0	-42.83	291.16	4.21	-38.62
CCCN(CCC)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979540	0	39	-1.0	-51.49	329.46	5.22	-46.27
CC(C)OC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007979541	0	45	-1.0	-55.40	371.84	7.98	-47.42
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007979542	0	32	-1.0	-41.58	321.62	6.07	-35.51
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007979543	0	39	-1.0	-56.02	331.97	6.43	-49.59
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979544	0	34	-1.0	-47.10	302.79	6.28	-40.82
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979545	0	34	-1.0	-47.80	296.68	6.15	-41.65
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979546	0	37	-1.0	-52.20	326.89	7.39	-44.81
CC(C)CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979547	0	41	-1.0	-43.72	346.76	6.98	-36.74
COCCC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979548	0	39	-1.0	-43.80	342.17	4.81	-38.99
COCCN(CCOC)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979549	0	41	-1.0	-49.61	342.94	2.36	-47.25
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979550	0	32	-1.0	-51.75	290.31	6.16	-45.59
COC1=C(C)C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C	REAL300007979551	0	39	-1.0	-50.96	339.65	5.94	-45.02
CC(C)CCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979552	0	45	-1.0	-40.87	373.67	6.52	-34.35
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007979553	0	43	-1.0	-41.39	355.82	6.38	-35.01
CC(C)COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979554	0	42	-1.0	-41.11	354.72	5.91	-35.20
CCCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979555	0	39	-1.0	-40.97	334.58	5.21	-35.76
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300007979556	0	33	-1.0	-52.39	313.83	5.00	-47.39
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007979557	0	33	-1.0	-51.06	323.58	5.27	-45.79
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C	REAL300007979558	0	36	-1.0	-52.16	317.93	5.19	-46.97
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300007979559	0	42	-1.0	-43.78	354.93	5.90	-37.88
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007979560	0	36	-1.0	-43.39	304.97	4.18	-39.21
COCCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979561	0	40	-1.0	-42.49	346.71	3.68	-38.81
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007979562	0	32	-1.0	-44.13	295.04	5.13	-39.00
CC1=CC(Br)=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979563	0	32	-1.0	-48.91	295.86	6.23	-42.68
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1C	REAL300007979564	0	37	-1.0	-65.23	311.98	7.31	-57.92
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979565	0	38	-1.0	-62.16	334.37	3.16	-59.00
CC1=NC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300007979566	0	31	-1.0	-50.55	294.84	3.63	-46.92
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007979567	0	32	-1.0	-53.40	300.38	6.28	-47.12
COC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=C1F	REAL300007979568	0	33	-1.0	-40.27	301.31	3.68	-36.59
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007979569	0	39	-1.0	-53.01	342.56	8.56	-44.45
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007979570	0	32	-1.0	-53.51	326.40	6.85	-46.66
CC1=NC(C2=CC=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])S2)=CS1	REAL300007979571	0	35	-1.0	-42.48	340.90	4.80	-37.68
CNC(=O)C1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CN1C	REAL300007979572	0	37	-1.0	-44.53	329.93	1.90	-42.63
COC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007979573	0	39	-1.0	-49.67	321.85	5.84	-43.83
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007979574	0	40	-1.0	-45.56	345.99	8.31	-37.25
COC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C	REAL300007979575	0	39	-1.0	-52.41	322.92	5.67	-46.74
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007979576	0	37	-1.0	-41.91	307.60	5.39	-36.52
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007979577	0	34	-1.0	-58.35	298.94	5.32	-53.03
CCN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007979578	0	34	-1.0	-51.58	314.43	5.76	-45.82
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007979579	0	36	-1.0	-39.54	332.66	4.88	-34.66
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007979580	0	43	-1.0	-42.34	372.99	7.47	-34.87
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979581	0	37	-1.0	-63.79	331.44	6.41	-57.38
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007979582	0	39	-1.0	-48.90	351.99	5.79	-43.11
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007979583	0	32	-1.0	-65.35	296.14	4.35	-61.00
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979584	0	51	-1.0	-51.69	406.46	8.03	-43.66
CC1=CC=CC(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979585	0	35	-1.0	-44.17	311.11	5.77	-38.40
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979586	0	37	-1.0	-45.03	342.84	0.94	-44.09
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007979587	0	32	-1.0	-41.05	296.11	5.17	-35.88
CC1=CC=CC=C1CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979588	0	35	-1.0	-54.00	307.59	6.49	-47.51
CCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007979589	0	42	-1.0	-55.61	353.82	7.35	-48.26
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979590	0	39	-1.0	-56.35	334.24	6.57	-49.78
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007979591	0	34	-1.0	-59.37	316.70	5.31	-54.06
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007979592	0	36	-1.0	-53.33	328.92	6.29	-47.04
CCOCCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979593	0	43	-1.0	-42.49	368.56	4.65	-37.84
CCCCCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979594	0	45	-1.0	-40.76	377.58	6.77	-33.99
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007979595	0	39	-1.0	-44.18	315.65	6.65	-37.53
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007979596	0	33	-1.0	-42.26	321.98	5.77	-36.49
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007979597	0	34	-1.0	-42.20	301.58	3.60	-38.60
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007979598	0	37	-1.0	-55.87	329.62	5.64	-50.23
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007979599	0	34	-1.0	-40.40	313.86	4.49	-35.91
CCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007979600	0	39	-1.0	-43.28	326.82	5.10	-38.18
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007979601	0	33	-1.0	-54.23	303.19	5.28	-48.95
CSC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979602	0	33	-1.0	-42.26	305.79	5.33	-36.93
CCCCCCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979603	0	40	-1.0	-52.85	339.37	6.80	-46.05
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007979604	0	35	-1.0	-40.57	328.76	6.12	-34.45
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979605	0	40	-1.0	-54.60	339.55	6.75	-47.85
CCN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])N=C1C	REAL300007979606	0	35	-1.0	-57.11	315.35	4.83	-52.28
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007979607	0	35	-1.0	-55.02	306.29	4.81	-50.21
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007979608	0	34	-1.0	-53.82	298.81	5.19	-48.63
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1CCCCO1	REAL300007979609	0	36	-1.0	-58.29	307.17	4.04	-54.25
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300007979610	0	35	-1.0	-38.77	320.03	5.82	-32.95
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007979611	0	35	-1.0	-51.52	341.88	5.75	-45.77
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007979612	0	38	-1.0	-41.22	326.63	5.79	-35.43
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C12	REAL300007979613	0	37	-1.0	-49.42	334.67	4.87	-44.55
COCC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979614	0	36	-1.0	-43.88	320.67	4.02	-39.86
CC1(C)CC2=CC=CC(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=C2O1	REAL300007979615	0	40	-1.0	-57.09	338.58	6.32	-50.77
CCN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979616	0	32	-1.0	-50.65	294.43	3.73	-46.92
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007979617	0	32	-1.0	-43.44	303.32	5.54	-37.90
CC(C1CC1)N(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979618	0	37	-1.0	-41.42	311.92	4.48	-36.94
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007979619	0	37	-1.0	-62.22	333.38	5.92	-56.30
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007979620	0	32	-1.0	-45.22	316.67	5.99	-39.23
CC1CC2=CC(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CC=C2O1	REAL300007979621	0	37	-1.0	-44.32	322.43	4.91	-39.41
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979622	0	41	-1.0	-51.55	330.89	7.91	-43.64
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979623	0	41	-1.0	-46.17	346.41	2.92	-43.25
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007979624	0	35	-1.0	-53.12	333.42	5.37	-47.75
COCCN(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979625	0	34	-1.0	-44.18	293.71	2.34	-41.84
CC1=NC(C2=CC=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)=CO1	REAL300007979626	0	38	-1.0	-45.16	341.98	3.37	-41.79
CN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007979627	0	32	-1.0	-50.13	293.79	3.57	-46.56
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C(C)O1	REAL300007979628	0	32	-1.0	-52.90	285.62	4.55	-48.35
CC1=CSC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979629	0	29	-1.0	-40.11	275.03	3.90	-36.21
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007979630	0	32	-1.0	-51.80	297.03	5.38	-46.42
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007979631	0	32	-1.0	-49.68	294.42	3.80	-45.88
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979632	0	32	-1.0	-43.67	292.81	0.90	-42.77
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN=C2CCCN12	REAL300007979633	0	33	-1.0	-54.99	296.33	4.60	-50.39
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])SC=C1	REAL300007979634	0	29	-1.0	-50.58	275.19	4.88	-45.70
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007979635	0	37	-1.0	-43.29	315.51	4.82	-38.47
CC1=CC=C(N2C=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=N2)C=C1	REAL300007979636	0	39	-1.0	-48.43	347.98	6.02	-42.41
CC1CC2=CC(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300007979637	0	37	-1.0	-39.41	335.54	5.30	-34.11
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007979638	0	34	-1.0	-46.83	312.57	6.33	-40.50
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979639	0	40	-1.0	-57.10	356.09	5.92	-51.18
CC1=NN(C)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979640	0	32	-1.0	-51.41	286.08	3.34	-48.07
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])N(C)N=C1	REAL300007979641	0	32	-1.0	-47.59	284.50	3.56	-44.03
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007979642	0	31	-1.0	-51.24	300.35	4.62	-46.62
CN(C)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979643	0	37	-1.0	-44.57	314.26	4.61	-39.96
CC1=CC2=CC=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2C=C1	REAL300007979644	0	38	-1.0	-53.05	335.64	8.07	-44.98
COC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])SC=C1	REAL300007979645	0	30	-1.0	-57.23	288.65	4.03	-53.20
CN(C)C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979646	0	37	-1.0	-54.10	319.44	5.52	-48.58
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007979647	0	34	-1.0	-56.92	302.12	5.02	-51.90
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007979648	0	34	-1.0	-60.87	315.13	5.28	-55.59
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007979649	0	34	-1.0	-50.54	301.37	4.16	-46.38
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007979650	0	35	-1.0	-52.24	330.01	7.22	-45.02
CN1CCCC2=CC=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C21	REAL300007979651	0	41	-1.0	-53.26	342.53	5.70	-47.56
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007979652	0	31	-1.0	-42.72	300.35	3.44	-39.28
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979653	0	37	-1.0	-47.88	316.54	5.16	-42.72
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979654	0	37	-1.0	-47.04	318.09	6.81	-40.23
CC1=CC=C(C)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007979655	0	37	-1.0	-66.03	322.45	8.11	-57.92
CC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007979656	0	37	-1.0	-56.23	320.27	6.94	-49.29
COC1=CC=C(CCS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979657	0	39	-1.0	-54.11	342.79	6.01	-48.10
COC1=CN=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979658	0	32	-1.0	-50.93	292.93	2.62	-48.31
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300007979659	0	38	-1.0	-41.78	334.46	5.89	-35.89
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007979660	0	36	-1.0	-51.57	317.53	7.25	-44.32
COC1=CC(OC)=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979661	0	37	-1.0	-53.98	327.31	3.75	-50.23
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1CCCCC1	REAL300007979662	0	41	-1.0	-52.56	334.07	6.89	-45.67
CC1=CC2=C(C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])OCO2	REAL300007979663	0	35	-1.0	-52.78	300.16	4.26	-48.52
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007979664	0	32	-1.0	-56.38	294.07	5.38	-51.00
COC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007979665	0	33	-1.0	-40.34	311.12	4.17	-36.17
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1CCCC1	REAL300007979666	0	38	-1.0	-52.66	317.58	6.30	-46.36
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007979667	0	37	-1.0	-64.77	313.89	6.64	-58.13
CCC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1CC	REAL300007979668	0	41	-1.0	-52.69	345.40	7.71	-44.98
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979669	0	37	-1.0	-45.54	319.05	7.13	-38.41
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979670	0	39	-1.0	-57.17	323.71	6.47	-50.70
CC1=C(C)SC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979671	0	32	-1.0	-41.68	295.17	4.67	-37.01
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979672	0	30	-1.0	-45.87	285.59	2.95	-42.92
CC1=NC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300007979673	0	28	-1.0	-38.58	270.06	2.08	-36.50
CCC1=NC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300007979674	0	31	-1.0	-38.54	291.58	2.84	-35.70
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(N)=NO1	REAL300007979675	0	30	-1.0	-41.32	271.03	1.45	-39.87
CN(C)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979676	0	36	-1.0	-51.53	316.74	5.01	-46.52
CC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300007979677	0	32	-1.0	-43.01	292.22	4.90	-38.11
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007979678	0	35	-1.0	-59.98	307.14	6.39	-53.59
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007979679	0	32	-1.0	-54.06	293.83	3.51	-50.55
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300007979680	0	35	-1.0	-48.59	315.38	6.48	-42.11
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007979681	0	36	-1.0	-59.56	324.35	4.90	-54.66
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007979682	0	31	-1.0	-57.27	296.88	4.79	-52.48
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979683	0	31	-1.0	-46.63	282.23	3.03	-43.60
COC(CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CC1	REAL300007979684	0	36	-1.0	-53.15	311.45	4.56	-48.59
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007979685	0	32	-1.0	-54.38	309.76	6.34	-48.04
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007979686	0	32	-1.0	-48.68	303.83	6.24	-42.44
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007979687	0	35	-1.0	-62.42	316.45	6.13	-56.29
CC1=CSC(C2=CC=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)=N1	REAL300007979688	0	38	-1.0	-46.82	351.82	5.78	-41.04
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007979689	0	37	-1.0	-57.54	317.10	6.14	-51.40
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007979690	0	36	-1.0	-59.02	333.54	3.02	-56.00
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007979691	0	38	-1.0	-55.69	327.22	5.38	-50.31
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007979692	0	32	-1.0	-42.50	309.70	5.61	-36.89
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979693	0	42	-1.0	-42.41	355.64	5.98	-36.43
COC(CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CCCC1	REAL300007979694	0	42	-1.0	-40.34	339.37	4.68	-35.66
COC(CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300007979695	0	45	-1.0	-40.44	355.88	5.21	-35.23
CCOC(CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CC1	REAL300007979696	0	39	-1.0	-56.61	334.36	5.43	-51.18
CCCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007979697	0	48	-1.0	-42.96	397.05	7.36	-35.60
CCC1=NC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300007979698	0	42	-1.0	-45.86	360.14	6.00	-39.86
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007979699	0	32	-1.0	-39.53	301.31	3.76	-35.77
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007979700	0	37	-1.0	-47.89	321.89	7.21	-40.68
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979701	0	36	-1.0	-37.28	295.68	3.68	-33.60
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007979702	0	42	-1.0	-52.59	373.31	7.30	-45.29
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979703	0	32	-1.0	-45.59	308.74	3.80	-41.79
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007979704	0	40	-1.0	-54.19	368.95	9.24	-44.95
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007979705	0	39	-1.0	-59.25	328.55	8.22	-51.03
CCC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300007979706	0	42	-1.0	-52.62	344.55	6.42	-46.20
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300007979707	0	31	-1.0	-48.14	290.98	3.52	-44.62
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007979708	0	38	-1.0	-43.27	312.52	7.29	-35.98
CC(C)OC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979709	0	38	-1.0	-48.36	337.52	3.70	-44.66
COC1=C(F)C=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979710	0	33	-1.0	-52.58	299.38	5.08	-47.50
CCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007979711	0	45	-1.0	-43.13	375.55	6.56	-36.57
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1F	REAL300007979712	0	41	-1.0	-48.55	346.54	7.40	-41.15
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007979713	0	48	-1.0	-55.56	394.89	9.63	-45.93
CN1N=C2CCCCC2=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979714	0	39	-1.0	-48.48	326.56	5.14	-43.34
CN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007979715	0	41	-1.0	-54.84	342.26	5.12	-49.72
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007979716	0	39	-1.0	-51.96	336.22	5.48	-46.48
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979717	0	32	-1.0	-43.98	295.40	3.80	-40.18
COC1=CC=C(F)C=C1CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979718	0	36	-1.0	-46.62	324.31	4.53	-42.09
C=CCCC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979719	0	39	-1.0	-43.44	342.81	7.08	-36.36
CCC1=NN(C)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979720	0	35	-1.0	-43.94	306.28	3.10	-40.84
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007979721	0	33	-1.0	-49.90	316.99	6.84	-43.06
CCCOC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1CC	REAL300007979722	0	45	-1.0	-43.09	380.13	6.82	-36.27
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979723	0	35	-1.0	-46.93	309.12	7.07	-39.86
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979724	0	35	-1.0	-52.88	327.42	7.19	-45.69
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007979725	0	33	-1.0	-44.15	313.79	6.03	-38.12
CCCC1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979726	0	38	-1.0	-43.39	315.85	6.41	-36.98
COC1=NC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979727	0	32	-1.0	-53.38	289.59	2.41	-50.97
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979728	0	45	-1.0	-53.95	382.47	7.87	-46.08
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007979729	0	34	-1.0	-55.04	298.46	5.42	-49.62
CC1=NC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])N1C	REAL300007979730	0	32	-1.0	-53.03	291.36	3.93	-49.10
CC1=CSC(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979731	0	32	-1.0	-38.93	281.65	4.72	-34.21
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007979732	0	36	-1.0	-50.55	316.16	4.75	-45.80
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007979733	0	36	-1.0	-50.13	314.73	5.09	-45.04
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007979734	0	39	-1.0	-49.92	334.00	5.70	-44.22
CC1(C)COC2=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=NN2C1	REAL300007979735	0	40	-1.0	-55.89	343.62	2.93	-52.96
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007979736	0	35	-1.0	-50.97	335.19	6.06	-44.91
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007979737	0	36	-1.0	-49.87	309.87	5.25	-44.62
COC1=CC(C(C)C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C	REAL300007979738	0	45	-1.0	-45.04	361.96	5.97	-39.07
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979739	0	39	-1.0	-54.93	337.94	6.65	-48.28
CC1CC2=CC=CC(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=C2O1	REAL300007979740	0	37	-1.0	-48.21	322.93	5.01	-43.20
CC(C)(C)C1=NC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300007979741	0	37	-1.0	-49.89	337.03	4.81	-45.08
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007979742	0	35	-1.0	-43.85	310.32	4.68	-39.17
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979743	0	34	-1.0	-64.03	308.23	4.57	-59.46
CCN1N=NC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979744	0	31	-1.0	-46.61	284.56	2.44	-44.17
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007979745	0	38	-1.0	-41.59	308.58	4.40	-37.19
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007979746	0	30	-1.0	-41.90	280.26	3.10	-38.80
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007979747	0	32	-1.0	-44.56	300.29	5.68	-38.88
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979748	0	36	-1.0	-46.72	319.29	4.89	-41.83
CC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1F	REAL300007979749	0	38	-1.0	-50.27	317.88	7.22	-43.05
COC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1OC	REAL300007979750	0	37	-1.0	-55.83	324.35	4.54	-51.29
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007979751	0	32	-1.0	-45.09	295.67	4.62	-40.47
CN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300007979752	0	42	-1.0	-54.69	351.27	5.74	-48.95
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979753	0	41	-1.0	-53.36	347.10	5.71	-47.65
CCCCN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=N1	REAL300007979754	0	41	-1.0	-50.80	350.62	5.75	-45.05
CN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007979755	0	36	-1.0	-52.69	319.00	4.53	-48.16
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007979756	0	33	-1.0	-45.47	301.00	3.77	-41.70
CN1N=NC2=C(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=CC=C21	REAL300007979757	0	34	-1.0	-61.08	310.29	3.55	-57.53
CC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1Br	REAL300007979758	0	35	-1.0	-50.61	315.89	6.68	-43.93
CC1(C)CCCN(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300007979759	0	40	-1.0	-52.43	324.04	5.39	-47.04
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007979760	0	35	-1.0	-49.78	336.56	6.28	-43.50
CN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300007979761	0	39	-1.0	-51.79	333.37	5.11	-46.68
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979762	0	47	-1.0	-45.24	372.26	7.84	-37.40
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007979763	0	39	-1.0	-53.74	342.33	5.82	-47.92
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007979764	0	33	-1.0	-41.85	298.19	5.44	-36.41
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007979765	0	40	-1.0	-46.03	362.49	7.24	-38.79
COC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007979766	0	38	-1.0	-66.65	333.79	6.17	-60.48
CCCC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979767	0	38	-1.0	-53.04	332.74	7.35	-45.69
CN1N=C2CCCC2=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979768	0	36	-1.0	-49.29	313.00	4.69	-44.60
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007979769	0	35	-1.0	-52.10	297.61	4.51	-47.59
CC1=CC=CC(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979770	0	35	-1.0	-41.21	285.61	5.61	-35.60
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979771	0	38	-1.0	-50.61	318.31	4.70	-45.91
CC(C)(C)N1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979772	0	38	-1.0	-53.21	332.86	4.88	-48.33
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007979773	0	36	-1.0	-49.67	308.66	4.01	-45.66
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007979774	0	34	-1.0	-48.29	319.26	4.96	-43.33
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007979775	0	32	-1.0	-38.91	311.07	5.38	-33.53
CC1=NN(C)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979776	0	32	-1.0	-48.17	289.51	3.43	-44.74
CC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1C	REAL300007979777	0	35	-1.0	-52.62	291.22	6.18	-46.44
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979778	0	40	-1.0	-44.73	350.17	6.34	-38.39
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007979779	0	40	-1.0	-45.70	332.78	7.32	-38.38
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007979780	0	35	-1.0	-40.77	326.64	5.30	-35.47
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007979781	0	35	-1.0	-51.02	311.94	5.46	-45.56
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007979782	0	29	-1.0	-55.04	291.70	5.35	-49.69
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007979783	0	36	-1.0	-53.19	317.58	7.25	-45.94
COC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=CS1	REAL300007979784	0	30	-1.0	-54.14	287.18	3.66	-50.48
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007979785	0	39	-1.0	-50.06	334.30	5.69	-44.37
CCC(C)N1N=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979786	0	38	-1.0	-40.89	322.23	4.06	-36.83
CN(C(C)(C)C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979787	0	36	-1.0	-42.15	288.22	3.37	-38.78
CCC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])O1	REAL300007979788	0	32	-1.0	-45.93	290.08	4.63	-41.30
CN(C1CCCCCC1)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979789	0	43	-1.0	-52.19	338.16	6.02	-46.17
CN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007979790	0	43	-1.0	-44.15	357.76	3.16	-40.99
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979791	0	35	-1.0	-40.49	318.82	5.83	-34.66
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007979792	0	33	-1.0	-43.51	304.85	3.89	-39.62
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007979793	0	44	-1.0	-41.37	359.55	7.08	-34.29
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300007979794	0	30	-1.0	-39.87	285.20	2.70	-37.17
CC1=CC(C)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007979795	0	40	-1.0	-55.96	332.76	6.51	-49.45
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007979796	0	37	-1.0	-51.15	325.39	5.12	-46.03
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007979797	0	32	-1.0	-49.58	301.02	3.87	-45.71
CCOCC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979798	0	39	-1.0	-54.69	345.27	5.83	-48.86
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979799	0	39	-1.0	-50.93	351.36	6.13	-44.80
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007979800	0	42	-1.0	-51.99	354.72	6.11	-45.88
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007979801	0	40	-1.0	-43.34	350.44	7.04	-36.30
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007979802	0	32	-1.0	-52.47	276.71	5.58	-46.89
CC1=CN=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979803	0	31	-1.0	-51.45	284.80	4.01	-47.44
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300007979804	0	35	-1.0	-49.09	326.05	6.89	-42.20
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007979805	0	38	-1.0	-57.89	321.34	7.61	-50.28
CN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007979806	0	39	-1.0	-50.81	344.20	5.48	-45.33
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007979807	0	33	-1.0	-49.53	306.66	6.39	-43.14
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007979808	0	33	-1.0	-49.89	321.55	6.94	-42.95
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007979809	0	33	-1.0	-49.10	321.54	6.94	-42.16
CCOCCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979810	0	35	-1.0	-54.46	308.90	3.72	-50.74
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007979811	0	34	-1.0	-60.75	311.24	-0.84	-61.59
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007979812	0	32	-1.0	-56.01	295.80	5.26	-50.75
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007979813	0	35	-1.0	-56.51	303.10	5.59	-50.92
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007979814	0	31	-1.0	-51.61	299.29	4.54	-47.07
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CCOC1CCOC1	REAL300007979815	0	37	-1.0	-52.76	324.83	2.20	-50.56
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1COCCO1	REAL300007979816	0	34	-1.0	-55.98	296.81	2.40	-53.58
CC1=NC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007979817	0	38	-1.0	-42.77	332.26	3.23	-39.54
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007979818	0	46	-1.0	-54.90	344.98	8.04	-46.86
CC1(C)COC(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300007979819	0	39	-1.0	-55.86	328.45	4.47	-51.39
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007979820	0	32	-1.0	-61.08	298.05	0.92	-60.16
CC(C)(CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C(C)(F)F	REAL300007979821	0	37	-1.0	-51.29	307.02	5.64	-45.65
CS(=O)(=O)CCCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979822	0	37	-1.0	-62.64	338.51	2.00	-60.64
CC1(C)CCC(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])OC1	REAL300007979823	0	42	-1.0	-56.80	342.30	5.47	-51.33
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007979824	0	39	-1.0	-52.78	338.54	7.50	-45.28
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007979825	0	33	-1.0	-44.76	313.96	3.42	-41.34
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007979826	0	39	-1.0	-58.23	351.18	7.96	-50.27
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007979827	0	38	-1.0	-56.36	322.44	2.63	-53.73
COCCC1(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300007979828	0	36	-1.0	-54.83	304.85	4.06	-50.77
CCN1N=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300007979829	0	31	-1.0	-49.59	289.06	2.03	-47.56
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007979830	0	42	-1.0	-53.36	335.80	7.22	-46.14
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007979831	0	33	-1.0	-50.73	312.18	6.46	-44.27
COC1=CC=C(C=C(C)S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979832	0	40	-1.0	-51.48	345.97	6.24	-45.24
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979833	0	34	-1.0	-57.86	297.57	1.88	-55.98
CCC1=NNC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979834	0	32	-1.0	-49.46	284.46	2.69	-46.77
COC1=CSC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1OC	REAL300007979835	0	34	-1.0	-53.57	321.28	3.21	-50.36
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007979836	0	41	-1.0	-50.92	328.81	5.60	-45.32
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979837	0	40	-1.0	-51.51	349.09	6.99	-44.52
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007979838	0	33	-1.0	-51.68	312.39	6.04	-45.64
COC1=CC(F)=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(F)=C1	REAL300007979839	0	33	-1.0	-54.28	306.31	4.71	-49.57
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007979840	0	33	-1.0	-54.31	313.81	4.79	-49.52
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979841	0	35	-1.0	-48.98	311.84	5.04	-43.94
CN1C=CC2=CC(S(=O)(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CC=C21	REAL300007979842	0	36	-1.0	-48.33	319.25	6.08	-42.25
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007979843	0	38	-1.0	-49.99	347.22	5.63	-44.36
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979844	0	42	-1.0	-43.21	348.12	6.34	-36.87
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007979845	0	40	-1.0	-55.08	357.07	8.00	-47.08
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979846	0	35	-1.0	-52.36	301.64	5.95	-46.41
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007979847	0	30	-1.0	-50.57	306.58	4.07	-46.50
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979848	0	40	-1.0	-42.80	348.93	5.92	-36.88
CCN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007979849	0	39	-1.0	-52.50	340.72	5.40	-47.10
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300007979850	0	33	-1.0	-51.18	295.72	3.25	-47.93
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007979851	0	35	-1.0	-51.03	332.98	7.63	-43.40
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007979852	0	28	-1.0	-48.93	294.35	2.67	-46.26
CCC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300007979853	0	35	-1.0	-40.62	324.64	6.18	-34.44
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979854	0	42	-1.0	-50.26	356.27	6.29	-43.97
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=C(Cl)OC=C1	REAL300007979855	0	26	-1.0	-49.45	263.49	3.54	-45.91
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007979856	0	26	-1.0	-35.59	270.24	3.76	-31.83
COCCC1=CC=C(OC)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979857	0	43	-1.0	-57.24	368.35	5.51	-51.73
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007979858	0	35	-1.0	-52.06	319.86	7.79	-44.27
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979859	0	37	-1.0	-47.41	318.08	2.78	-44.63
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007979860	0	36	-1.0	-54.81	296.81	6.70	-48.11
CC1(C)CCN(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300007979861	0	40	-1.0	-50.06	321.23	5.21	-44.85
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007979862	0	44	-1.0	-45.12	367.48	4.69	-40.43
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979863	0	32	-1.0	-49.81	306.34	2.90	-46.91
COC1=NC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1C	REAL300007979864	0	35	-1.0	-48.60	315.66	2.56	-46.04
CC(C)CN1C=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300007979865	0	38	-1.0	-50.36	335.76	5.27	-45.09
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979866	0	38	-1.0	-51.03	326.29	4.72	-46.31
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007979867	0	39	-1.0	-53.23	332.33	2.97	-50.26
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])N=C1	REAL300007979868	0	40	-1.0	-50.30	339.25	5.11	-45.19
CC(C)N1N=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979869	0	35	-1.0	-42.77	308.22	3.53	-39.24
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007979870	0	36	-1.0	-49.64	321.99	5.22	-44.42
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007979871	0	36	-1.0	-48.62	319.76	5.34	-43.28
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007979872	0	31	-1.0	-49.86	295.05	3.64	-46.22
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007979873	0	34	-1.0	-61.05	303.42	5.52	-55.53
CC1=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300007979874	0	38	-1.0	-54.92	327.29	4.82	-50.10
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300007979875	0	43	-1.0	-51.38	377.19	8.68	-42.70
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007979876	0	34	-1.0	-60.02	307.87	5.40	-54.62
CC1=CN=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007979877	0	34	-1.0	-55.26	304.28	4.45	-50.81
CC1=CN=CC=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979878	0	31	-1.0	-49.42	269.91	3.87	-45.55
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007979879	0	32	-1.0	-48.42	300.23	4.84	-43.58
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979880	0	37	-1.0	-58.18	326.47	0.95	-57.23
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007979881	0	36	-1.0	-42.72	295.52	2.56	-40.16
N#CC1CCN(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300007979882	0	35	-1.0	-54.61	308.17	4.49	-50.12
COC1=CC=NC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979883	0	32	-1.0	-56.03	293.93	2.57	-53.46
C=CCN(CC=C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979884	0	35	-1.0	-51.21	311.49	5.14	-46.07
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300007979885	0	36	-1.0	-42.49	314.64	4.59	-37.90
COC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])N=C1	REAL300007979886	0	32	-1.0	-52.86	295.91	2.41	-50.45
CC1=CC=CN=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979887	0	31	-1.0	-52.33	275.41	3.36	-48.97
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979888	0	35	-1.0	-49.73	328.50	3.37	-46.36
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007979889	0	34	-1.0	-52.97	299.21	5.19	-47.78
CCOC1=CC=CN=C1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300007979890	0	35	-1.0	-60.46	314.21	4.12	-56.34
CC1=CC=C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007979891	0	37	-1.0	-60.90	321.28	6.69	-54.21
CC1=CC(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=N1	REAL300007979892	0	31	-1.0	-49.21	285.14	3.99	-45.22
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007979893	0	33	-1.0	-54.32	297.63	4.96	-49.36
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC(F)(F)C1	REAL300007979894	0	31	-1.0	-49.94	285.15	3.62	-46.32
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007979895	0	31	-1.0	-54.10	297.46	4.10	-50.00
O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007979896	0	36	-1.0	-51.98	338.68	5.67	-46.31
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300007979897	0	42	-1.0	-56.64	350.62	7.13	-49.51
CC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007979898	0	34	-1.0	-61.09	300.41	4.63	-56.46
CCC(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007979899	0	41	-1.0	-57.12	340.53	7.66	-49.46
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007979900	0	26	-1.0	-52.51	270.80	4.72	-47.79
COC1=CC=C(C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979901	0	36	-1.0	-62.99	307.79	5.56	-57.43
CC1=CC=C(Br)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979902	0	32	-1.0	-59.21	290.79	6.20	-53.01
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007979903	0	33	-1.0	-57.13	301.79	5.43	-51.70
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007979904	0	35	-1.0	-62.43	322.55	2.59	-59.84
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007979905	0	33	-1.0	-47.17	305.14	4.02	-43.15
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1OC	REAL300007979906	0	40	-1.0	-60.37	328.20	4.77	-55.60
CC1=CC(Cl)=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979907	0	32	-1.0	-55.91	287.63	5.92	-49.99
CN(C1CCCCC1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979908	0	40	-1.0	-59.00	320.04	5.35	-53.65
CC1=NN(C)C(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979909	0	35	-1.0	-55.62	299.05	4.04	-51.58
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007979910	0	45	-1.0	-57.61	365.82	8.57	-49.04
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007979911	0	35	-1.0	-46.15	299.81	3.28	-42.87
CCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007979912	0	35	-1.0	-57.67	304.76	6.51	-51.16
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007979913	0	29	-1.0	-57.02	270.93	5.52	-51.50
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007979914	0	29	-1.0	-46.74	280.45	4.84	-41.90
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979915	0	34	-1.0	-46.16	287.71	6.02	-40.14
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007979916	0	35	-1.0	-42.97	321.34	6.32	-36.65
CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979917	0	39	-1.0	-70.94	344.84	1.69	-69.25
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007979918	0	40	-1.0	-59.55	344.47	6.91	-52.64
CC1=CC(F)=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007979919	0	32	-1.0	-46.95	283.23	4.85	-42.10
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007979920	0	35	-1.0	-58.90	307.57	5.59	-53.31
COCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007979921	0	36	-1.0	-47.23	310.37	3.84	-43.39
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300007979922	0	35	-1.0	-54.78	310.89	2.69	-52.09
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007979923	0	38	-1.0	-71.05	346.89	3.29	-67.76
CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979924	0	34	-1.0	-52.13	308.32	0.33	-51.80
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1C	REAL300007979925	0	39	-1.0	-58.53	314.52	5.50	-53.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007979926	0	34	-1.0	-60.13	316.01	5.62	-54.51
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007979927	0	32	-1.0	-61.76	307.80	6.39	-55.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007979928	0	34	-1.0	-57.34	302.78	5.47	-51.87
CN(C1CCOCC1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979929	0	38	-1.0	-57.84	310.16	2.98	-54.86
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007979930	0	38	-1.0	-60.91	330.02	6.34	-54.57
CCN1N=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1C	REAL300007979931	0	38	-1.0	-58.49	318.12	4.88	-53.61
CC(C)N1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300007979932	0	35	-1.0	-49.61	300.63	3.10	-46.51
CC(C)CN1C=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007979933	0	38	-1.0	-61.15	328.36	5.78	-55.37
CC(C)N1C=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007979934	0	35	-1.0	-60.60	309.26	5.20	-55.40
CC(C)C1=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CN1	REAL300007979935	0	35	-1.0	-59.18	305.60	3.52	-55.66
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979936	0	41	-1.0	-47.54	310.07	6.91	-40.63
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007979937	0	37	-1.0	-60.17	325.62	3.63	-56.54
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1OC	REAL300007979938	0	37	-1.0	-55.20	326.27	4.64	-50.56
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Br	REAL300007979939	0	32	-1.0	-57.61	301.33	6.27	-51.34
CC1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979940	0	32	-1.0	-55.06	274.84	5.61	-49.45
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007979941	0	35	-1.0	-56.13	311.20	7.59	-48.54
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007979942	0	34	-1.0	-59.06	320.92	6.75	-52.31
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007979943	0	33	-1.0	-55.34	307.30	4.72	-50.62
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007979944	0	36	-1.0	-57.21	322.14	6.65	-50.56
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979945	0	44	-1.0	-58.24	357.97	6.43	-51.81
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007979946	0	32	-1.0	-57.28	296.15	5.63	-51.65
COCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007979947	0	40	-1.0	-64.19	340.37	4.66	-59.53
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007980001	0	43	-1.0	-57.50	369.99	8.13	-49.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007980002	0	33	-1.0	-57.88	313.48	5.72	-52.16
COC1=CC=C(Br)C(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980003	0	36	-1.0	-61.59	331.49	5.70	-55.89
CC1(C)CN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCO1	REAL300007980004	0	38	-1.0	-55.73	308.00	3.28	-52.45
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2S1	REAL300007980005	0	43	-1.0	-55.80	374.81	7.02	-48.78
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980006	0	36	-1.0	-61.39	326.49	6.14	-55.25
CC(C)N1N=CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C21	REAL300007980007	0	41	-1.0	-58.15	352.56	6.62	-51.53
CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980008	0	36	-1.0	-67.58	325.38	-0.13	-67.71
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007980009	0	35	-1.0	-51.92	314.61	6.18	-45.74
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007980010	0	32	-1.0	-43.11	310.48	6.10	-37.01
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007980011	0	35	-1.0	-49.49	321.95	6.89	-42.60
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007980012	0	32	-1.0	-59.82	310.64	6.71	-53.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007980013	0	35	-1.0	-65.64	313.96	7.51	-58.13
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007980014	0	35	-1.0	-59.55	322.88	6.87	-52.68
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007980015	0	40	-1.0	-62.80	343.86	6.38	-56.42
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007980016	0	43	-1.0	-48.89	372.35	7.69	-41.20
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980017	0	42	-1.0	-45.78	361.92	5.66	-40.12
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007980018	0	40	-1.0	-66.68	361.53	2.19	-64.49
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007980019	0	38	-1.0	-59.67	327.96	7.94	-51.73
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1N(C)C	REAL300007980020	0	40	-1.0	-44.32	329.93	4.77	-39.55
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007980021	0	35	-1.0	-61.58	324.02	7.11	-54.47
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007980022	0	34	-1.0	-62.00	297.13	2.06	-59.94
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCOCC1CCCC1	REAL300007980023	0	42	-1.0	-58.40	347.45	5.50	-52.90
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300007980024	0	36	-1.0	-59.99	315.01	5.43	-54.56
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980025	0	38	-1.0	-75.56	346.00	3.35	-72.21
CSC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300007980026	0	33	-1.0	-54.24	317.04	6.55	-47.69
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980027	0	41	-1.0	-45.72	333.92	4.56	-41.16
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007980028	0	37	-1.0	-55.08	332.95	3.63	-51.45
CCC1=NOC2=NC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C12	REAL300007980029	0	36	-1.0	-48.12	316.61	1.72	-46.40
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007980030	0	40	-1.0	-53.87	358.38	4.90	-48.97
CN1N=CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CN=C21	REAL300007980031	0	34	-1.0	-50.17	303.48	3.27	-46.90
CCC1=CC(CC)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(CC)=C1	REAL300007980032	0	47	-1.0	-55.52	365.90	9.45	-46.07
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007980033	0	36	-1.0	-50.63	305.32	4.16	-46.47
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007980034	0	35	-1.0	-53.99	330.46	3.15	-50.84
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007980035	0	38	-1.0	-69.19	327.98	8.76	-60.43
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1F	REAL300007980036	0	36	-1.0	-55.03	304.11	4.91	-50.12
CC1(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCCC1	REAL300007980037	0	41	-1.0	-61.00	311.38	6.61	-54.39
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007980038	0	38	-1.0	-48.63	322.85	5.74	-42.89
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980039	0	47	0.0	-90.26	378.97	6.21	-84.05
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007980040	0	37	-1.0	-54.28	331.28	6.37	-47.91
COCC1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980041	0	36	-1.0	-57.21	333.64	5.30	-51.91
CC1=CC=C(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(F)=C1	REAL300007980042	0	35	-1.0	-61.50	312.02	6.56	-54.94
C[NH+](C)CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980043	0	41	0.0	-88.84	340.23	6.98	-81.86
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007980044	0	29	-1.0	-42.63	291.20	4.47	-38.16
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007980045	0	42	-1.0	-61.56	350.17	8.41	-53.15
CC(C)(C)C1=CC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=NO1	REAL300007980046	0	40	-1.0	-51.16	341.32	5.03	-46.13
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007980047	0	38	-1.0	-77.13	322.85	2.30	-74.83
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007980048	0	32	-1.0	-50.05	296.83	5.38	-44.67
CC1=C(CCS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])SC=N1	REAL300007980049	0	34	-1.0	-59.64	310.75	4.37	-55.27
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007980050	0	39	-1.0	-63.76	311.56	6.41	-57.35
COC1=CC=C2C=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCC2=C1	REAL300007980051	0	41	-1.0	-46.65	341.63	5.91	-40.74
CC(C)(CCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300007980052	0	40	-1.0	-67.24	334.78	2.24	-65.00
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007980053	0	38	-1.0	-58.69	315.67	6.17	-52.52
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007980054	0	36	-1.0	-61.55	312.21	7.25	-54.30
CCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007980055	0	37	-1.0	-53.52	317.74	5.94	-47.58
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007980056	0	29	-1.0	-54.32	278.58	5.59	-48.73
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007980057	0	29	-1.0	-54.14	283.15	5.70	-48.44
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007980058	0	31	-1.0	-52.77	290.07	5.74	-47.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007980059	0	35	-1.0	-50.33	304.97	6.51	-43.82
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007980060	0	31	-1.0	-54.85	290.07	5.74	-49.11
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980061	0	34	-1.0	-64.33	297.82	6.26	-58.07
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980062	0	33	-1.0	-57.51	291.34	4.37	-53.14
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007980063	0	31	-1.0	-77.95	283.24	6.73	-71.22
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980064	0	36	-1.0	-49.02	328.69	5.70	-43.32
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980065	0	36	-1.0	-57.17	313.20	5.30	-51.87
CC1=CC(C)=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1C	REAL300007980066	0	41	-1.0	-45.55	313.56	6.61	-38.94
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007980067	0	38	-1.0	-46.24	300.25	6.19	-40.05
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980068	0	44	-1.0	-48.23	345.24	7.13	-41.10
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007980069	0	32	-1.0	-48.07	298.21	5.25	-42.82
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007980070	0	32	-1.0	-67.36	291.81	6.11	-61.25
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007980071	0	29	-1.0	-47.06	275.88	4.74	-42.32
CC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980072	0	34	-1.0	-57.15	302.34	5.47	-51.68
CC1=CC=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980073	0	35	-1.0	-47.08	290.34	5.46	-41.62
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300007980074	0	35	-1.0	-58.77	300.27	6.28	-52.49
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007980075	0	35	-1.0	-59.06	290.19	6.28	-52.78
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007980076	0	35	-1.0	-54.64	310.91	4.87	-49.77
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980077	0	41	-1.0	-45.82	331.59	6.44	-39.38
CC(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980078	0	38	-1.0	-57.24	322.09	7.00	-50.24
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980079	0	40	-1.0	-59.44	359.56	2.76	-56.68
CCCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980080	0	38	-1.0	-57.47	326.26	7.29	-50.18
COC1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980081	0	33	-1.0	-62.29	285.29	4.95	-57.34
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Br	REAL300007980082	0	33	-1.0	-54.82	311.74	5.04	-49.78
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300007980083	0	32	-1.0	-54.35	301.35	6.26	-48.09
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)=C1	REAL300007980084	0	43	-1.0	-57.49	375.77	8.35	-49.14
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007980085	0	33	-1.0	-53.24	307.84	4.86	-48.38
CC1=C(C)C(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1C	REAL300007980086	0	44	-1.0	-57.31	332.46	7.95	-49.36
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007980087	0	38	-1.0	-55.70	324.69	5.01	-50.69
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980088	0	45	-1.0	-63.34	363.00	7.27	-56.07
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007980089	0	34	-1.0	-39.11	299.62	5.31	-33.80
COC1=CC=C(Br)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980090	0	33	-1.0	-60.98	308.10	5.57	-55.41
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980091	0	47	-1.0	-55.97	361.23	8.70	-47.27
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007980092	0	32	-1.0	-40.87	294.01	5.12	-35.75
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007980093	0	39	-1.0	-48.16	321.85	6.72	-41.44
COC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980094	0	37	-1.0	-65.01	316.27	4.24	-60.77
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1OC	REAL300007980095	0	37	-1.0	-58.36	320.61	4.28	-54.08
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007980096	0	36	-1.0	-57.88	307.38	6.98	-50.90
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007980097	0	37	-1.0	-58.03	316.31	7.47	-50.56
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007980098	0	34	-1.0	-57.12	297.76	4.93	-52.19
CC(C)CCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980099	0	44	-1.0	-57.48	365.32	8.58	-48.90
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1OCC	REAL300007980100	0	43	-1.0	-58.07	364.27	6.12	-51.95
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980101	0	34	-1.0	-60.10	316.04	0.03	-60.07
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1C	REAL300007980102	0	37	-1.0	-63.40	314.76	6.79	-56.61
CC1=CC2=CC=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2N=C1	REAL300007980103	0	37	-1.0	-65.02	319.84	6.64	-58.38
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007980104	0	35	-1.0	-74.54	310.74	5.80	-68.74
COC1=CC(Cl)=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980105	0	33	-1.0	-57.42	302.01	5.47	-51.95
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980106	0	34	-1.0	-55.85	309.53	-0.93	-56.78
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007980107	0	41	-1.0	-55.45	364.30	1.97	-53.48
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980108	0	37	-1.0	-59.96	330.60	6.28	-53.68
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007980109	0	38	-1.0	-57.46	318.56	6.37	-51.09
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300007980110	0	37	-1.0	-59.00	312.33	5.95	-53.05
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300007980111	0	37	-1.0	-54.41	313.47	7.05	-47.36
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980112	0	40	-1.0	-56.34	351.02	2.12	-54.22
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007980113	0	41	-1.0	-69.86	347.81	4.43	-65.43
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980114	0	35	-1.0	-51.02	316.03	1.64	-49.38
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007980115	0	39	-1.0	-60.52	321.41	8.42	-52.10
CC1CC(C)CN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300007980116	0	40	-1.0	-56.65	312.03	5.46	-51.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007980117	0	35	-1.0	-63.32	297.27	7.00	-56.32
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007980118	0	39	-1.0	-47.30	329.46	7.53	-39.77
CC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980119	0	32	-1.0	-60.25	275.89	5.65	-54.60
CN(C)C1=CC=CC2=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=CC=C12	REAL300007980120	0	43	-1.0	-58.34	350.35	7.01	-51.33
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007980121	0	30	-1.0	-59.81	284.05	3.44	-56.37
COC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980122	0	33	-1.0	-61.13	303.54	5.47	-55.66
COC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980123	0	33	-1.0	-52.25	288.65	3.53	-48.72
CCC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980124	0	44	-1.0	-56.97	352.29	7.86	-49.11
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300007980125	0	32	-1.0	-57.59	297.30	6.18	-51.41
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980126	0	39	-1.0	-56.40	331.12	5.92	-50.48
CCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980127	0	35	-1.0	-46.15	287.28	5.61	-40.54
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007980128	0	30	-1.0	-56.98	275.73	3.89	-53.09
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007980129	0	34	-1.0	-69.82	320.35	7.53	-62.29
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007980130	0	34	-1.0	-65.82	298.45	6.00	-59.82
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007980131	0	40	-1.0	-48.07	360.85	7.51	-40.56
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980132	0	35	-1.0	-54.76	313.50	5.62	-49.14
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1F	REAL300007980133	0	33	-1.0	-54.93	297.55	4.45	-50.48
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1F	REAL300007980134	0	32	-1.0	-58.19	288.56	5.78	-52.41
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007980135	0	40	-1.0	-55.90	367.27	8.44	-47.46
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300007980136	0	44	-1.0	-57.18	382.13	6.90	-50.28
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(C)C)=C1	REAL300007980137	0	56	-1.0	-42.54	402.76	9.74	-32.80
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007980138	0	45	-1.0	-59.10	365.21	8.07	-51.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007980139	0	32	-1.0	-61.47	317.20	6.82	-54.65
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007980140	0	39	-1.0	-59.63	325.16	6.52	-53.11
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980141	0	34	-1.0	-54.08	299.15	6.07	-48.01
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980142	0	34	-1.0	-53.10	291.68	6.12	-46.98
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980143	0	37	-1.0	-49.63	315.46	6.27	-43.36
CC(C)CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980144	0	41	-1.0	-57.66	343.02	7.76	-49.90
COCCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980145	0	39	-1.0	-45.12	331.86	4.63	-40.49
COCCN(CCOC)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980146	0	41	-1.0	-47.17	334.01	2.04	-45.13
CC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980147	0	32	-1.0	-59.24	286.22	6.10	-53.14
COC1=C(C)C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300007980148	0	39	-1.0	-56.23	333.10	5.87	-50.36
CC(C)CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980149	0	45	-1.0	-56.60	373.76	7.40	-49.20
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007980150	0	43	-1.0	-55.98	355.88	7.27	-48.71
CC(C)COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980151	0	42	-1.0	-56.79	354.80	6.79	-50.00
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980152	0	39	-1.0	-56.80	334.70	6.10	-50.70
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300007980153	0	33	-1.0	-54.80	307.35	4.93	-49.87
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007980154	0	33	-1.0	-55.64	317.10	5.20	-50.44
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300007980155	0	36	-1.0	-57.79	311.41	5.11	-52.68
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300007980156	0	42	-1.0	-57.34	351.21	6.66	-50.68
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007980157	0	36	-1.0	-58.43	300.38	4.71	-53.72
COCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980158	0	40	-1.0	-59.67	346.83	4.57	-55.10
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007980159	0	32	-1.0	-63.11	291.84	5.78	-57.33
CC1=CC(Br)=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980160	0	32	-1.0	-55.86	292.21	6.03	-49.83
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1C	REAL300007980161	0	37	-1.0	-78.65	302.27	7.22	-71.43
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980162	0	38	-1.0	-69.42	330.30	3.11	-66.31
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007980163	0	41	-1.0	-59.82	372.97	2.61	-57.21
CC1=NC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300007980164	0	31	-1.0	-54.70	285.96	3.59	-51.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007980165	0	32	-1.0	-56.78	293.19	6.27	-50.51
COC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1F	REAL300007980166	0	33	-1.0	-54.52	297.55	4.45	-50.07
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007980167	0	39	-1.0	-53.30	333.35	7.64	-45.66
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007980168	0	32	-1.0	-42.08	316.71	6.04	-36.04
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])S2)=CS1	REAL300007980169	0	35	-1.0	-45.70	334.45	4.73	-40.97
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007980170	0	49	-1.0	-56.72	396.44	8.69	-48.03
CNC(=O)C1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CN1C	REAL300007980171	0	37	-1.0	-59.54	325.74	2.75	-56.79
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007980172	0	39	-1.0	-55.68	313.78	5.69	-49.99
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007980173	0	40	-1.0	-58.26	346.07	9.19	-49.07
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300007980174	0	39	-1.0	-59.54	319.09	5.61	-53.93
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007980175	0	37	-1.0	-48.26	301.89	5.21	-43.05
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007980176	0	34	-1.0	-59.98	292.11	5.40	-54.58
CCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007980177	0	34	-1.0	-55.68	307.74	5.69	-49.99
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007980178	0	36	-1.0	-59.01	332.77	5.76	-53.25
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007980179	0	43	-1.0	-58.19	373.10	8.36	-49.83
CCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980180	0	37	-1.0	-61.19	322.23	5.50	-55.69
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007980181	0	39	-1.0	-59.97	347.83	6.67	-53.30
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007980182	0	32	-1.0	-70.68	289.65	4.27	-66.41
CC(C)CCN(CCC(C)C)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980183	0	51	-1.0	-59.05	399.09	7.90	-51.15
CC1=CC=CC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980184	0	35	-1.0	-62.16	306.69	6.52	-55.64
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980185	0	37	-1.0	-61.62	339.15	1.68	-59.94
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007980186	0	32	-1.0	-60.73	291.71	5.91	-54.82
CC1=CC=CC=C1CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980187	0	35	-1.0	-61.12	299.57	6.48	-54.64
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007980188	0	42	-1.0	-59.19	347.02	7.44	-51.75
CCOC1=CC=C(C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980189	0	39	-1.0	-62.56	330.09	6.55	-56.01
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007980190	0	34	-1.0	-73.05	310.14	5.25	-67.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007980191	0	36	-1.0	-50.90	316.37	5.13	-45.77
CCOCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980192	0	43	-1.0	-59.67	368.68	5.53	-54.14
CCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980193	0	45	-1.0	-56.68	377.69	7.66	-49.02
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007980194	0	39	-1.0	-46.56	306.97	6.50	-40.06
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007980195	0	33	-1.0	-53.33	318.23	6.54	-46.79
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007980196	0	34	-1.0	-48.45	295.08	3.53	-44.92
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007980197	0	37	-1.0	-69.42	325.19	6.38	-63.04
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007980198	0	34	-1.0	-41.64	303.63	4.30	-37.34
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007980199	0	39	-1.0	-58.08	322.23	5.63	-52.45
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007980200	0	33	-1.0	-59.67	295.05	5.22	-54.45
CSC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980201	0	33	-1.0	-57.09	302.05	6.09	-51.00
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007980202	0	35	-1.0	-60.76	324.03	6.83	-53.93
CCN(CC1=CC=CC=C1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980203	0	40	-1.0	-60.88	334.74	6.79	-54.09
CCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])N=C1C	REAL300007980204	0	35	-1.0	-67.43	307.41	4.88	-62.55
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007980205	0	35	-1.0	-50.21	300.21	3.95	-46.26
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007980206	0	34	-1.0	-58.79	292.33	5.12	-53.67
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007980207	0	41	-1.0	-49.29	351.33	6.18	-43.11
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300007980208	0	35	-1.0	-58.28	316.28	6.60	-51.68
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007980209	0	35	-1.0	-62.43	336.68	5.55	-56.88
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007980210	0	38	-1.0	-56.86	326.71	6.67	-50.19
CC1=NN(C)C2=NC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C12	REAL300007980211	0	37	-1.0	-56.35	328.14	4.81	-51.54
COCC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980212	0	36	-1.0	-60.61	316.94	4.79	-55.82
CC1(C)CC2=CC=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2O1	REAL300007980213	0	40	-1.0	-62.82	336.27	6.38	-56.44
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007980214	0	32	-1.0	-61.47	299.99	6.20	-55.27
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007980215	0	37	-1.0	-69.61	326.54	5.89	-63.72
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007980216	0	32	-1.0	-60.04	312.25	6.74	-53.30
CC1CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C2O1	REAL300007980217	0	37	-1.0	-47.29	316.08	4.84	-42.45
CCC1=CC=CC(CC)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980218	0	41	-1.0	-57.32	319.70	7.83	-49.49
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980219	0	41	-1.0	-65.49	341.82	3.54	-61.95
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007980220	0	40	-1.0	-56.99	369.01	8.52	-48.47
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007980221	0	35	-1.0	-56.45	328.70	5.72	-50.73
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007980222	0	35	-1.0	-62.17	347.00	6.00	-56.17
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)=CO1	REAL300007980223	0	38	-1.0	-46.97	331.80	3.20	-43.77
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007980224	0	32	-1.0	-47.26	299.51	2.88	-44.38
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007980225	0	32	-1.0	-53.87	287.30	5.36	-48.51
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007980226	0	32	-1.0	-54.77	287.86	3.73	-51.04
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300007980227	0	32	-1.0	-43.70	286.30	0.91	-42.79
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2CCCN12	REAL300007980228	0	33	-1.0	-60.28	289.85	4.53	-55.75
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007980229	0	37	-1.0	-47.30	309.00	4.75	-42.55
CC1=CC=C(N2C=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=N2)C=C1	REAL300007980230	0	39	-1.0	-55.78	343.82	6.89	-48.89
CC1CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300007980231	0	37	-1.0	-54.52	335.44	6.19	-48.33
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007980232	0	34	-1.0	-52.46	308.74	6.38	-46.08
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300007980233	0	40	-1.0	-61.97	349.60	5.85	-56.12
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007980234	0	31	-1.0	-56.36	293.85	4.55	-51.81
CN(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980235	0	37	-1.0	-59.48	314.37	5.50	-53.98
CC1=CC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2C=C1	REAL300007980236	0	38	-1.0	-58.62	329.10	8.01	-50.61
COC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])SC=C1	REAL300007980237	0	30	-1.0	-65.44	284.00	3.44	-62.00
CN(C)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980238	0	37	-1.0	-58.68	313.36	5.47	-53.21
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007980239	0	34	-1.0	-63.17	295.72	4.94	-58.23
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007980240	0	34	-1.0	-64.63	309.79	5.10	-59.53
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007980241	0	34	-1.0	-51.71	291.18	3.99	-47.72
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007980242	0	35	-1.0	-59.27	323.52	7.14	-52.13
CN1CCCC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C21	REAL300007980243	0	41	-1.0	-60.42	336.42	5.64	-54.78
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007980244	0	31	-1.0	-39.79	294.62	3.54	-36.25
COC1=CC=CC(OC)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980245	0	37	-1.0	-49.13	306.78	5.05	-44.08
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980246	0	37	-1.0	-52.70	314.08	6.72	-45.98
CC1=CC=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007980247	0	37	-1.0	-63.34	315.08	8.20	-55.14
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007980248	0	37	-1.0	-64.98	314.61	6.76	-58.22
COC1=CC=C(CCS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980249	0	39	-1.0	-61.01	336.29	5.93	-55.08
COC1=CN=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980250	0	32	-1.0	-55.67	286.45	2.54	-53.13
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300007980251	0	38	-1.0	-47.15	331.62	5.92	-41.23
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007980252	0	36	-1.0	-57.21	311.08	7.18	-50.03
COC1=CC(OC)=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980253	0	37	-1.0	-49.36	314.37	2.73	-46.63
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1CCCCC1	REAL300007980254	0	41	-1.0	-61.09	329.46	6.60	-54.49
CC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])OCO2	REAL300007980255	0	35	-1.0	-59.38	294.77	4.27	-55.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007980256	0	32	-1.0	-61.30	286.99	5.39	-55.91
COC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007980257	0	33	-1.0	-54.26	307.36	4.93	-49.33
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007980258	0	37	-1.0	-58.41	308.46	5.88	-52.53
CCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1CC	REAL300007980259	0	41	-1.0	-46.10	332.31	6.68	-39.42
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980260	0	37	-1.0	-40.93	308.59	6.20	-34.73
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980261	0	39	-1.0	-62.58	321.26	6.50	-56.08
CC1=C(C)SC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980262	0	32	-1.0	-44.73	287.96	4.56	-40.17
NC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980263	0	30	-1.0	-50.90	279.25	2.88	-48.02
CCC1=NC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300007980264	0	31	-1.0	-41.72	285.14	2.77	-38.95
CN(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300007980265	0	36	-1.0	-46.69	307.51	4.09	-42.60
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300007980266	0	32	-1.0	-58.86	294.05	5.50	-53.36
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007980267	0	35	-1.0	-67.00	299.00	6.63	-60.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007980268	0	32	-1.0	-58.48	285.31	3.71	-54.77
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300007980269	0	35	-1.0	-42.68	302.46	5.46	-37.22
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007980270	0	36	-1.0	-57.78	315.14	3.98	-53.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007980271	0	31	-1.0	-62.76	290.40	4.72	-58.04
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007980272	0	32	-1.0	-61.84	303.24	6.28	-55.56
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007980273	0	32	-1.0	-54.37	297.31	6.18	-48.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007980274	0	35	-1.0	-61.87	309.95	6.06	-55.81
CC1=CSC(C2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)=N1	REAL300007980275	0	38	-1.0	-48.30	341.52	5.59	-42.71
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007980276	0	37	-1.0	-51.75	309.37	5.55	-46.20
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007980277	0	36	-1.0	-64.64	326.94	2.94	-61.70
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007980278	0	38	-1.0	-57.77	320.17	5.48	-52.29
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007980279	0	32	-1.0	-59.61	305.18	6.36	-53.25
CCC(C)OC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980280	0	42	-1.0	-45.87	349.18	5.90	-39.97
COC(CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCC1	REAL300007980281	0	42	-1.0	-60.88	337.34	5.28	-55.60
COC(CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300007980282	0	45	-1.0	-63.60	354.87	5.73	-57.87
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007980283	0	43	-1.0	-55.59	379.31	8.43	-47.16
CCOC(CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC1	REAL300007980284	0	39	-1.0	-62.31	329.02	5.41	-56.90
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007980285	0	48	-1.0	-45.63	386.46	7.17	-38.46
CCC1=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300007980286	0	42	-1.0	-60.48	360.54	7.05	-53.43
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007980287	0	32	-1.0	-44.55	298.27	3.78	-40.77
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007980288	0	37	-1.0	-53.30	317.98	7.14	-46.16
CN1N=CC(C2CC2)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980289	0	36	-1.0	-52.92	307.78	4.92	-48.00
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007980290	0	42	-1.0	-44.77	356.92	6.44	-38.33
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980291	0	32	-1.0	-43.53	297.54	2.73	-40.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007980292	0	40	-1.0	-51.85	359.73	8.33	-43.52
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007980293	0	39	-1.0	-64.31	322.02	8.13	-56.18
CCC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300007980294	0	42	-1.0	-59.70	340.71	6.36	-53.34
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007980295	0	35	-1.0	-53.49	333.06	6.95	-46.54
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300007980296	0	31	-1.0	-68.35	288.95	3.84	-64.51
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007980297	0	38	-1.0	-59.25	312.49	8.12	-51.13
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300007980298	0	38	-1.0	-44.18	328.29	2.77	-41.41
COC1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980299	0	33	-1.0	-45.82	291.43	4.39	-41.43
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007980300	0	45	-1.0	-46.02	364.96	6.37	-39.65
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1F	REAL300007980301	0	41	-1.0	-57.36	340.06	7.33	-50.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007980302	0	48	-1.0	-62.94	388.36	9.57	-53.37
CN1N=C2CCCCC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980303	0	39	-1.0	-52.88	319.64	5.13	-47.75
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007980304	0	41	-1.0	-48.25	328.79	4.45	-43.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007980305	0	39	-1.0	-43.46	323.57	4.34	-39.12
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980306	0	32	-1.0	-48.79	288.83	3.73	-45.06
COC1=CC=C(F)C=C1CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980307	0	36	-1.0	-63.40	319.87	5.29	-58.11
C=CCCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980308	0	39	-1.0	-58.56	341.16	7.54	-51.02
CCC1=NN(C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980309	0	35	-1.0	-47.76	300.68	3.05	-44.71
CCCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007980310	0	51	-1.0	-45.42	407.96	7.95	-37.47
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007980311	0	33	-1.0	-56.99	310.49	6.77	-50.22
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300007980312	0	51	-1.0	-45.06	399.34	7.84	-37.22
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1CC	REAL300007980313	0	45	-1.0	-46.23	369.92	6.64	-39.59
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980314	0	35	-1.0	-53.25	304.81	6.72	-46.53
CC1=CC(Br)=CC=C1CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980315	0	35	-1.0	-59.43	322.39	7.03	-52.40
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007980316	0	33	-1.0	-46.47	304.50	5.89	-40.58
CCCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980317	0	38	-1.0	-46.06	308.86	6.33	-39.73
COC1=NC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980318	0	32	-1.0	-58.75	283.08	2.35	-56.40
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980319	0	45	-1.0	-55.87	379.28	7.95	-47.92
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007980320	0	34	-1.0	-66.17	292.40	5.19	-60.98
CC1=CSC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980321	0	32	-1.0	-53.83	282.00	5.64	-48.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007980322	0	36	-1.0	-43.60	305.83	3.71	-39.89
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007980323	0	36	-1.0	-53.17	308.87	4.98	-48.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007980324	0	39	-1.0	-45.69	321.04	4.61	-41.08
CC1(C)COC2=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=NN2C1	REAL300007980325	0	40	-1.0	-61.34	335.15	3.16	-58.18
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007980326	0	35	-1.0	-56.08	328.70	5.99	-50.09
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007980327	0	36	-1.0	-54.68	303.33	5.18	-49.50
COC1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300007980328	0	45	-1.0	-59.16	357.49	6.62	-52.54
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980329	0	39	-1.0	-50.50	330.37	5.74	-44.76
CC1CC2=CC=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2O1	REAL300007980330	0	37	-1.0	-61.96	315.86	5.75	-56.21
CC(C)(C)C1=NC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300007980331	0	37	-1.0	-55.22	330.54	4.74	-50.48
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007980332	0	35	-1.0	-60.39	314.04	5.45	-54.94
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980333	0	34	-1.0	-66.42	303.06	4.62	-61.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007980334	0	38	-1.0	-57.64	308.83	4.91	-52.73
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007980335	0	30	-1.0	-43.23	270.16	2.92	-40.31
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007980336	0	32	-1.0	-47.75	293.71	5.59	-42.16
CN1N=C(C2CC2)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980337	0	36	-1.0	-51.42	312.80	4.81	-46.61
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1F	REAL300007980338	0	38	-1.0	-56.10	310.63	7.07	-49.03
COC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1OC	REAL300007980339	0	37	-1.0	-49.53	314.27	4.12	-45.41
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007980340	0	32	-1.0	-56.81	287.43	5.23	-51.58
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300007980341	0	42	-1.0	-47.87	341.18	4.85	-43.02
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980342	0	41	-1.0	-55.17	340.39	5.65	-49.52
CCCCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=N1	REAL300007980343	0	41	-1.0	-56.41	344.10	5.68	-50.73
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007980344	0	36	-1.0	-48.56	311.00	3.88	-44.68
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007980345	0	33	-1.0	-57.46	301.10	4.65	-52.81
CN1N=NC2=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=CC=C21	REAL300007980346	0	34	-1.0	-65.17	303.32	3.58	-61.59
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Br	REAL300007980347	0	35	-1.0	-59.63	309.15	6.77	-52.86
CC1(C)CCCN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300007980348	0	40	-1.0	-58.21	316.41	5.47	-52.74
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007980349	0	35	-1.0	-55.69	330.08	6.21	-49.48
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300007980350	0	39	-1.0	-56.86	325.27	5.20	-51.66
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980351	0	47	-1.0	-60.05	368.65	8.51	-51.54
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007980352	0	35	-1.0	-58.22	333.07	6.95	-51.27
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007980353	0	39	-1.0	-55.77	335.86	5.74	-50.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007980354	0	33	-1.0	-61.79	301.58	6.19	-55.60
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007980355	0	40	-1.0	-61.02	353.57	7.89	-53.13
COC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007980356	0	38	-1.0	-53.88	318.24	5.75	-48.13
CCCC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980357	0	38	-1.0	-58.84	326.26	7.28	-51.56
CN1N=C2CCCC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980358	0	36	-1.0	-54.45	306.90	4.57	-49.88
CC1=CC=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980359	0	35	-1.0	-44.97	280.12	5.54	-39.43
CC(C)(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980360	0	38	-1.0	-53.46	303.71	4.66	-48.80
CC(C)(C)N1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300007980361	0	38	-1.0	-50.02	320.32	3.74	-46.28
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007980362	0	36	-1.0	-45.75	304.13	3.09	-42.66
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007980363	0	34	-1.0	-40.35	310.11	4.06	-36.29
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007980364	0	32	-1.0	-39.90	300.55	5.19	-34.71
CC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1C	REAL300007980365	0	35	-1.0	-59.69	287.25	6.13	-53.56
CCCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980366	0	40	-1.0	-61.04	343.73	6.26	-54.78
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007980367	0	40	-1.0	-48.23	327.15	7.21	-41.02
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007980368	0	35	-1.0	-56.04	324.27	6.11	-49.93
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007980369	0	35	-1.0	-56.53	305.46	5.37	-51.16
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007980370	0	29	-1.0	-45.32	278.70	4.42	-40.90
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007980371	0	36	-1.0	-46.94	304.56	6.21	-40.73
COC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=CS1	REAL300007980372	0	30	-1.0	-60.31	280.71	3.60	-56.71
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007980373	0	39	-1.0	-57.01	327.85	5.62	-51.39
CCC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980374	0	38	-1.0	-52.41	321.07	4.92	-47.49
CN(C1CCCCCC1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980375	0	43	-1.0	-58.50	331.97	5.99	-52.51
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007980376	0	43	-1.0	-59.74	354.11	3.92	-55.82
CC(F)(F)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980377	0	35	-1.0	-59.02	315.08	6.60	-52.42
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007980378	0	33	-1.0	-50.16	298.40	3.81	-46.35
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007980379	0	44	-1.0	-57.43	359.01	7.55	-49.88
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300007980380	0	30	-1.0	-55.47	285.63	3.54	-51.93
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007980381	0	40	-1.0	-70.36	328.12	7.15	-63.21
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007980382	0	37	-1.0	-56.57	319.03	5.00	-51.57
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007980383	0	32	-1.0	-47.47	288.60	2.72	-44.75
CCOCC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980384	0	39	-1.0	-60.71	338.79	5.76	-54.95
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980385	0	39	-1.0	-50.83	339.20	5.42	-45.41
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007980386	0	42	-1.0	-43.85	342.29	4.98	-38.87
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007980387	0	40	-1.0	-46.39	345.81	7.05	-39.34
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007980388	0	32	-1.0	-57.21	271.99	5.55	-51.66
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300007980389	0	35	-1.0	-43.12	313.12	5.86	-37.26
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007980390	0	38	-1.0	-61.47	314.55	7.70	-53.77
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007980391	0	39	-1.0	-57.36	333.70	6.25	-51.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007980392	0	33	-1.0	-48.17	299.32	5.60	-42.57
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007980393	0	33	-1.0	-56.94	315.05	6.86	-50.08
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007980394	0	33	-1.0	-47.72	314.20	6.15	-41.57
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007980395	0	34	-1.0	-67.72	304.73	-0.92	-68.64
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007980396	0	32	-1.0	-46.60	282.11	4.71	-41.89
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007980397	0	35	-1.0	-63.47	294.31	5.54	-57.93
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007980398	0	31	-1.0	-60.72	292.81	4.47	-56.25
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCOC1CCOC1	REAL300007980399	0	37	-1.0	-47.61	314.16	1.53	-46.08
CC1=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007980400	0	38	-1.0	-47.24	327.52	3.21	-44.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007980401	0	46	-1.0	-64.18	339.82	7.86	-56.32
CC1(C)COC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300007980402	0	39	-1.0	-63.51	321.96	4.38	-59.13
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007980403	0	32	-1.0	-68.98	291.65	0.83	-68.15
CC(C)(CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C(C)(F)F	REAL300007980404	0	37	-1.0	-58.69	301.81	5.45	-53.24
CS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980405	0	37	-1.0	-69.51	332.02	1.94	-67.57
CC1(C)CCC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])OC1	REAL300007980406	0	42	-1.0	-62.45	336.26	5.26	-57.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007980407	0	39	-1.0	-60.30	332.18	7.42	-52.88
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007980408	0	33	-1.0	-69.24	310.68	4.09	-65.15
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007980409	0	39	-1.0	-65.04	343.48	7.99	-57.05
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007980410	0	38	-1.0	-66.87	314.26	2.50	-64.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007980411	0	42	-1.0	-62.21	330.30	7.03	-55.18
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007980412	0	33	-1.0	-44.75	298.77	5.50	-39.25
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C21	REAL300007980413	0	51	-1.0	-47.24	384.93	8.29	-38.95
COC1=CC=C(C=C(C)S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980414	0	40	-1.0	-58.32	338.33	6.15	-52.17
COC1=CSC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1OC	REAL300007980415	0	34	-1.0	-62.83	316.52	3.04	-59.79
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007980416	0	41	-1.0	-57.69	323.75	5.24	-52.45
CN(CCC1=CC=CC=C1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980417	0	40	-1.0	-57.09	339.11	6.80	-50.29
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007980418	0	33	-1.0	-46.95	306.04	5.18	-41.77
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(F)=C1	REAL300007980419	0	33	-1.0	-60.12	299.82	4.64	-55.48
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007980420	0	33	-1.0	-59.95	307.31	4.72	-55.23
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980421	0	35	-1.0	-47.15	297.33	3.90	-43.25
CN1C=CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C21	REAL300007980422	0	36	-1.0	-52.67	309.05	5.89	-46.78
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007980423	0	38	-1.0	-43.61	334.20	4.61	-39.00
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980424	0	42	-1.0	-58.49	354.43	7.49	-51.00
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007980425	0	40	-1.0	-54.44	347.84	7.08	-47.36
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980426	0	35	-1.0	-62.86	290.92	6.83	-56.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007980427	0	30	-1.0	-56.42	302.04	3.71	-52.71
C=C(C)COC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980428	0	40	-1.0	-53.87	342.49	5.84	-48.03
CCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007980429	0	39	-1.0	-48.81	332.59	4.75	-44.06
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300007980430	0	33	-1.0	-59.93	293.34	4.11	-55.82
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007980431	0	35	-1.0	-56.62	324.45	7.86	-48.76
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007980432	0	39	-1.0	-45.24	346.29	8.05	-37.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007980433	0	28	-1.0	-50.21	284.51	2.70	-47.51
CCC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300007980434	0	35	-1.0	-42.43	314.43	5.99	-36.44
CC1=NN(C2CCCC2)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980435	0	42	-1.0	-54.03	350.57	5.98	-48.05
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007980436	0	26	-1.0	-54.42	270.68	4.60	-49.82
COCCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980437	0	43	-1.0	-63.60	361.89	5.45	-58.15
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007980438	0	35	-1.0	-57.71	314.10	7.66	-50.05
CN1N=C2CCOCC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980439	0	37	-1.0	-48.34	303.96	1.73	-46.61
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007980440	0	36	-1.0	-47.33	297.53	6.04	-41.29
CC1(C)CCN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300007980441	0	40	-1.0	-56.82	315.93	4.98	-51.84
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007980442	0	44	-1.0	-57.85	363.73	5.45	-52.40
COC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980443	0	32	-1.0	-55.31	299.86	2.83	-52.48
COC1=NC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300007980444	0	35	-1.0	-44.43	306.49	1.64	-42.79
CC(C)CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300007980445	0	38	-1.0	-49.03	318.86	4.17	-44.86
CC1=NN(C(C)C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980446	0	38	-1.0	-57.24	321.93	4.34	-52.90
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007980447	0	39	-1.0	-57.46	318.49	2.35	-55.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007980448	0	34	-1.0	-57.58	307.61	7.04	-50.54
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])N=C1	REAL300007980449	0	40	-1.0	-58.02	336.40	5.34	-52.68
CC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980450	0	35	-1.0	-44.83	297.55	3.38	-41.45
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007980451	0	36	-1.0	-46.26	306.43	4.47	-41.79
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007980452	0	36	-1.0	-46.08	308.24	5.39	-40.69
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007980453	0	31	-1.0	-59.41	294.07	3.97	-55.44
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007980454	0	34	-1.0	-51.89	289.09	4.47	-47.42
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300007980455	0	38	-1.0	-61.70	320.84	4.77	-56.93
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300007980456	0	43	-1.0	-46.38	364.17	7.67	-38.71
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007980457	0	34	-1.0	-65.71	301.38	5.32	-60.39
CC1=CN=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300007980458	0	34	-1.0	-49.39	292.02	4.02	-45.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007980459	0	32	-1.0	-40.95	288.44	4.06	-36.89
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980460	0	37	-1.0	-66.65	319.22	0.90	-65.75
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007980461	0	36	-1.0	-56.20	284.20	2.73	-53.47
N#CC1CCN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300007980462	0	35	-1.0	-63.15	301.37	4.40	-58.75
COC1=CC=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980463	0	32	-1.0	-60.88	289.59	2.38	-58.50
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300007980464	0	36	-1.0	-59.70	303.63	5.60	-54.10
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])N=C1	REAL300007980465	0	32	-1.0	-58.41	289.43	2.33	-56.08
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980466	0	35	-1.0	-55.33	321.99	3.29	-52.04
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007980467	0	34	-1.0	-56.80	292.50	5.25	-51.55
CCOC1=CC=CN=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007980468	0	35	-1.0	-48.43	298.58	3.75	-44.68
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007980469	0	37	-1.0	-66.27	314.79	6.62	-59.65
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007980470	0	33	-1.0	-59.31	291.23	4.90	-54.41
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC(F)(F)C1	REAL300007980471	0	31	-1.0	-54.87	278.70	3.55	-51.32
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007980472	0	31	-1.0	-65.04	292.02	4.13	-60.91
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007980473	0	36	-1.0	-56.53	329.81	5.89	-50.64
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300007980474	0	42	-1.0	-51.09	345.40	6.32	-44.77
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C1	REAL300007980475	0	35	-1.0	-49.27	303.21	4.88	-44.39
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(C)CC)C=C2)C1	REAL300007980476	0	42	-1.0	-58.93	347.15	8.01	-50.92
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007980477	0	27	-1.0	-53.67	277.44	5.06	-48.61
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C)=CC=C2OC)C1	REAL300007980478	0	37	-1.0	-65.11	313.25	5.96	-59.15
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Br)=CC=C2C)C1	REAL300007980479	0	33	-1.0	-60.78	297.58	6.56	-54.22
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007980480	0	34	-1.0	-58.91	309.79	5.82	-53.09
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300007980481	0	36	-1.0	-64.00	329.16	2.94	-61.06
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007980482	0	34	-1.0	-47.57	308.00	4.27	-43.30
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(OC)=C(OC)C=C2C)C1	REAL300007980483	0	41	-1.0	-62.23	334.97	5.13	-57.10
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Cl)C=C2C)C1	REAL300007980484	0	33	-1.0	-56.59	292.02	6.50	-50.09
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N(C)C2CCCCC2)C1	REAL300007980485	0	41	-1.0	-60.43	326.67	5.75	-54.68
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007980486	0	46	-1.0	-48.31	363.88	8.29	-40.02
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007980487	0	36	-1.0	-61.53	312.96	4.57	-56.96
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007980488	0	30	-1.0	-59.01	277.78	5.91	-53.10
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007980489	0	30	-1.0	-47.16	283.30	5.10	-42.06
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C1	REAL300007980490	0	35	-1.0	-48.52	294.39	6.40	-42.12
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007980491	0	36	-1.0	-61.87	331.31	7.41	-54.46
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1	REAL300007980492	0	40	-1.0	-71.88	352.41	1.95	-69.93
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C1	REAL300007980493	0	41	-1.0	-44.21	344.59	6.32	-37.89
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007980494	0	36	-1.0	-60.36	314.14	5.94	-54.42
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(COC)C=C2)C1	REAL300007980495	0	37	-1.0	-48.29	317.07	4.21	-44.08
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCC)N=C2)C1	REAL300007980496	0	36	-1.0	-47.52	311.04	1.98	-45.54
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300007980497	0	39	-1.0	-59.84	347.03	2.68	-57.16
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCCS(C)(=O)=O)C1	REAL300007980498	0	35	-1.0	-76.37	318.33	1.43	-74.94
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OC)C(C)=C2C)C1	REAL300007980499	0	40	-1.0	-60.04	321.24	5.93	-54.11
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007980500	0	35	-1.0	-62.67	322.54	5.96	-56.71
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007980501	0	33	-1.0	-60.16	313.18	6.85	-53.31
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007980502	0	35	-1.0	-48.18	302.96	4.85	-43.33
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N(C)C2CCOCC2)C1	REAL300007980503	0	39	-1.0	-58.25	316.33	3.46	-54.79
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)C1	REAL300007980504	0	39	-1.0	-63.70	336.76	6.35	-57.35
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(CC)N=C2C)C1	REAL300007980505	0	39	-1.0	-52.67	317.25	4.23	-48.44
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(CC(C)C)C=N2)C1	REAL300007980506	0	39	-1.0	-63.02	333.18	6.69	-56.33
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C1	REAL300007980507	0	42	-1.0	-62.43	325.74	8.06	-54.37
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300007980508	0	43	-1.0	-64.50	366.65	8.11	-56.39
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C1	REAL300007980509	0	38	-1.0	-48.44	328.42	3.89	-44.55
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(OC)=C(OC)C=C2Cl)C1	REAL300007980510	0	38	-1.0	-57.24	332.89	5.01	-52.23
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C)C(Br)=C2)C1	REAL300007980511	0	33	-1.0	-48.12	301.51	5.67	-42.45
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007980512	0	36	-1.0	-59.30	318.08	7.79	-51.51
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007980513	0	35	-1.0	-58.70	323.46	7.31	-51.39
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007980514	0	34	-1.0	-46.19	307.43	4.12	-42.07
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007980515	0	37	-1.0	-59.66	330.32	6.91	-52.75
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)C1	REAL300007980516	0	45	-1.0	-52.43	357.16	5.77	-46.66
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007980517	0	33	-1.0	-49.22	297.96	5.46	-43.76
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(COC)=CC=C2OC)C1	REAL300007980518	0	41	-1.0	-66.86	346.90	5.01	-61.85
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007981001	0	40	-1.0	-60.39	326.49	2.56	-57.83
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007981002	0	35	-1.0	-60.52	327.33	7.16	-53.36
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)C1	REAL300007981003	0	41	-1.0	-59.27	341.64	5.79	-53.48
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300007981004	0	37	-1.0	-58.70	323.81	5.37	-53.33
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007981005	0	37	-1.0	-60.01	326.34	6.16	-53.85
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300007981006	0	32	-1.0	-59.93	299.32	4.41	-55.52
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300007981007	0	35	-1.0	-69.82	304.81	5.67	-64.15
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C1	REAL300007981008	0	39	-1.0	-63.22	326.64	4.97	-58.25
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3C)C=C2)C1	REAL300007981009	0	44	-1.0	-48.66	371.69	8.05	-40.61
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300007981010	0	35	-1.0	-60.70	304.09	5.33	-55.37
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300007981011	0	33	-1.0	-43.40	295.10	4.39	-39.01
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)C1	REAL300007981012	0	38	-1.0	-67.81	327.49	1.14	-66.67
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300007981013	0	37	-1.0	-57.31	299.65	3.52	-53.79
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OC)C=C2C(F)F)C1	REAL300007981014	0	37	-1.0	-62.80	322.53	5.93	-56.87
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(F)(F)F)=CN=C2OC)C1	REAL300007981015	0	36	-1.0	-57.31	329.94	3.65	-53.66
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300007981016	0	35	-1.0	-59.40	299.14	5.61	-53.79
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=NC=CC=C2OCC)C1	REAL300007981017	0	36	-1.0	-70.16	316.18	4.10	-66.06
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C1	REAL300007981018	0	38	-1.0	-69.74	321.33	6.96	-62.78
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300007981019	0	34	-1.0	-61.75	297.76	5.24	-56.51
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300007981020	0	32	-1.0	-52.48	292.04	4.10	-48.38
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300007981021	0	37	-1.0	-57.97	337.82	6.26	-51.71
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C1	REAL300007981022	0	43	-1.0	-65.73	348.53	7.33	-58.40
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007981023	0	48	-1.0	-48.25	362.00	8.32	-39.93
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007981024	0	48	-1.0	-53.13	362.72	8.31	-44.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981025	0	51	-1.0	-59.41	374.85	9.44	-49.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981026	0	52	-1.0	-58.25	392.49	9.00	-49.25
CC1=CC=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C=C1C(=O)[O-]	REAL300007981027	0	51	-1.0	-53.70	378.74	8.85	-44.85
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007981028	0	45	-1.0	-50.24	342.15	8.28	-41.96
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007981029	0	48	-1.0	-53.13	362.72	8.31	-44.82
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007981030	0	48	-1.0	-48.25	362.00	8.32	-39.93
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007981031	0	48	-1.0	-52.35	338.08	8.71	-43.64
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007981032	0	46	-1.0	-51.64	352.97	6.10	-45.54
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007981033	0	48	-1.0	-48.34	350.74	6.40	-41.94
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007981034	0	45	-1.0	-51.54	345.10	7.48	-44.06
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007981035	0	45	-1.0	-54.86	342.98	5.63	-49.23
CC1(CC2CCCC2)CCCN1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007981036	0	53	-1.0	-52.50	379.14	7.47	-45.03
CC1(CC2CCCC2)CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007981037	0	53	-1.0	-52.03	380.73	7.49	-44.54
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007981038	0	48	-1.0	-52.35	338.08	8.71	-43.64
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007981039	0	48	-1.0	-46.28	354.67	9.21	-37.07
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007981040	0	45	-1.0	-51.56	355.78	6.95	-44.61
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)O1	REAL300007981041	0	48	-1.0	-51.30	371.60	7.41	-43.89
CC1(CC2CCCC2)CCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300007981042	0	47	-1.0	-52.09	345.53	7.36	-44.73
CC1(CC2CCCC2)CCCN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007981043	0	50	-1.0	-63.71	363.91	7.46	-56.25
CC1(CC2CCCC2)CCCN1S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007981044	0	51	-1.0	-56.46	387.54	9.16	-47.30
CC1(CC2CCCC2)CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007981045	0	53	-1.0	-52.03	380.73	7.49	-44.54
CC1(CC2CCCC2)CCCN1S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007981046	0	51	-1.0	-60.21	383.51	9.44	-50.77
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007981047	0	45	-1.0	-51.56	355.78	6.95	-44.61
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007981048	0	52	-1.0	-48.88	382.74	8.60	-40.28
CC1(CC2CCCC2)CCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300007981049	0	47	-1.0	-52.09	345.53	7.36	-44.73
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007981050	0	45	-1.0	-53.01	345.86	7.39	-45.62
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC2(C)CC2CCCC2)=C1C	REAL300007981051	0	54	-1.0	-62.23	390.03	9.41	-52.82
CC1=CC=CC(S(=O)(=O)N2CCCC2(C)CC2CCCC2)=C1C(=O)[O-]	REAL300007981052	0	51	-1.0	-56.42	365.94	9.56	-46.86
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC2(C)CC2CCCC2)=C1	REAL300007981053	0	55	-1.0	-55.36	417.79	8.02	-47.34
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007981054	0	45	-1.0	-52.08	354.98	7.36	-44.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981055	0	51	-1.0	-49.90	369.50	9.28	-40.62
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007981056	0	51	-1.0	-49.59	373.86	9.09	-40.50
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007981057	0	45	-1.0	-52.09	347.43	6.48	-45.61
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007981058	0	51	-1.0	-52.78	384.91	9.09	-43.69
CC1=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C=C(C(=O)[O-])O1	REAL300007981059	0	48	-1.0	-55.35	366.36	8.06	-47.29
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007981060	0	47	-1.0	-46.73	357.89	6.47	-40.26
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007981061	0	44	-1.0	-53.79	335.94	6.76	-47.03
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007981062	0	44	-1.0	-58.11	331.61	5.83	-52.28
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007981063	0	47	-1.0	-54.92	333.62	6.82	-48.10
CC1(CC2CCCC2)CCCN1S(=O)(=O)CCCCCC(=O)[O-]	REAL300007981064	0	53	-1.0	-52.13	388.52	8.92	-43.21
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007981065	0	47	-1.0	-50.26	358.66	6.48	-43.78
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007981066	0	48	-1.0	-48.40	379.45	8.82	-39.58
COC1=CC=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C=C1C(=O)[O-]	REAL300007981067	0	52	-1.0	-59.79	389.29	8.38	-51.41
CC1=CC(S(=O)(=O)N2CCCC2(C)CC2CCCC2)=CC=C1C(=O)[O-]	REAL300007981068	0	51	-1.0	-47.77	378.64	8.85	-38.92
CN(CCC(=O)[O-])S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981069	0	49	-1.0	-48.11	358.86	7.00	-41.11
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC2(C)CC2CCCC2)=C1	REAL300007981070	0	55	-1.0	-55.36	417.79	8.02	-47.34
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007981071	0	48	-1.0	-48.40	379.45	8.82	-39.58
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981072	0	48	-1.0	-51.03	347.45	8.74	-42.29
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981073	0	51	-1.0	-54.75	386.21	9.27	-45.48
CC1(CC2CCCC2)CCCN1S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007981074	0	51	-1.0	-56.46	387.54	9.16	-47.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981075	0	52	-1.0	-58.25	392.49	9.00	-49.25
CC1=CC=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C=C1C(=O)[O-]	REAL300007981076	0	51	-1.0	-53.70	378.74	8.85	-44.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981077	0	51	-1.0	-59.41	374.85	9.44	-49.97
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981078	0	52	-1.0	-49.26	398.47	8.62	-40.64
CC1(CC2CCCC2)CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007981079	0	51	-1.0	-48.53	376.37	8.36	-40.17
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007981080	0	51	-1.0	-52.78	384.91	9.09	-43.69
COC1=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)SC(C(=O)[O-])=C1	REAL300007981081	0	49	-1.0	-49.24	384.53	6.85	-42.39
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007981082	0	53	-1.0	-50.07	398.49	8.97	-41.10
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007981083	0	55	-1.0	-53.16	396.41	10.14	-43.02
CCC1=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C=C(C(=O)[O-])O1	REAL300007981084	0	51	-1.0	-58.08	379.75	8.34	-49.74
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007981085	0	50	-1.0	-47.13	366.21	9.30	-37.83
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007981086	0	50	-1.0	-41.21	366.15	9.32	-31.89
CC1=NC=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C=C1C(=O)[O-]	REAL300007981087	0	50	-1.0	-47.52	374.22	7.03	-40.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981088	0	52	-1.0	-49.90	392.52	9.02	-40.88
COC1=CC(S(=O)(=O)N2CCCC2(C)CC2CCCC2)=CC=C1C(=O)[O-]	REAL300007981089	0	52	-1.0	-53.48	389.88	8.40	-45.08
COC1=CC=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C(CC(=O)[O-])=C1	REAL300007981090	0	55	-1.0	-61.12	394.12	8.46	-52.66
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007981091	0	51	-1.0	-51.20	390.32	9.13	-42.07
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C=C1	REAL300007981092	0	57	-1.0	-50.26	415.21	9.94	-40.32
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981093	0	48	-1.0	-53.02	353.36	7.13	-45.89
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCCC2(C)CC2CCCC2)=C1	REAL300007981094	0	48	-1.0	-54.64	369.77	7.51	-47.13
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007981095	0	48	-1.0	-50.72	375.22	8.71	-42.01
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007981096	0	45	-1.0	-55.82	344.31	7.38	-48.44
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007981097	0	48	-1.0	-45.27	334.88	7.17	-38.10
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)=C1	REAL300007981098	0	52	-1.0	-50.95	367.31	8.00	-42.95
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007981099	0	45	-1.0	-54.86	342.98	5.63	-49.23
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981100	0	48	-1.0	-53.02	353.36	7.13	-45.89
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007981101	0	50	-2.0	-135.92	389.54	9.28	-126.64
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981102	0	55	-1.0	-57.04	406.47	8.68	-48.36
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007981103	0	47	-1.0	-49.03	362.09	6.86	-42.17
CC1(CC2CCCC2)CCCN1S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007981104	0	51	-1.0	-59.42	373.58	9.88	-49.54
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007981105	0	45	-1.0	-47.43	366.68	7.20	-40.23
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981106	0	55	-1.0	-58.02	414.35	9.93	-48.09
COC1=CC=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C(C(=O)[O-])=C1	REAL300007981107	0	52	-1.0	-70.93	382.36	8.68	-62.25
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007981108	0	47	-1.0	-54.53	358.92	6.53	-48.00
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007981109	0	45	-1.0	-44.95	354.51	4.83	-40.12
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)CC1CCCC1	REAL300007981110	0	48	-1.0	-58.53	354.86	5.99	-52.54
CC1(CC2CCCC2)CCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007981111	0	48	-1.0	-52.84	357.02	7.70	-45.14
CC1(CC2CCCC2)CCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007981112	0	51	-1.0	-55.48	369.47	8.05	-47.43
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)S1	REAL300007981113	0	48	-1.0	-53.25	373.39	8.07	-45.18
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007981114	0	51	-1.0	-59.86	364.47	9.14	-50.72
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007981115	0	51	-1.0	-65.60	394.40	7.09	-58.51
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007981116	0	51	-1.0	-46.63	386.49	9.46	-37.17
CC1(CC2CCCC2)CCCN1S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007981117	0	48	-1.0	-54.76	364.08	7.83	-46.93
CC1(CC2CCCC2)CCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007981118	0	53	-1.0	-54.79	361.79	7.95	-46.84
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007981119	0	45	-1.0	-44.95	354.51	4.83	-40.12
CC1(CC2CCCC2)CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007981120	0	50	-1.0	-64.20	364.67	7.48	-56.72
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007981121	0	45	-1.0	-54.86	342.98	5.63	-49.23
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007981122	0	45	-1.0	-44.81	360.94	8.39	-36.42
CC1(CC2CCCC2)CCCN1S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007981123	0	48	-1.0	-59.50	338.29	7.88	-51.62
CC1=CC(S(=O)(=O)N2CCCC2(C)CC2CCCC2)=CN=C1C(=O)[O-]	REAL300007981124	0	50	-1.0	-50.39	375.66	7.12	-43.27
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007981125	0	51	-1.0	-59.86	364.47	9.14	-50.72
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)CC2CCCC2)C=C1C(=O)[O-]	REAL300007981126	0	55	-1.0	-60.28	411.84	9.30	-50.98
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007981127	0	55	-1.0	-51.58	407.08	10.19	-41.39
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007981128	0	47	-1.0	-62.02	352.26	7.66	-54.36
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C1	REAL300007981129	0	43	-1.0	-49.57	352.32	8.92	-40.65
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981130	0	43	-1.0	-52.63	354.52	8.96	-43.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981131	0	46	-1.0	-55.21	353.85	8.91	-46.30
CC1=CC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007981132	0	46	-1.0	-52.04	370.74	9.51	-42.53
O=C([O-])C1=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=CS1	REAL300007981133	0	40	-1.0	-46.90	325.39	7.95	-38.95
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981134	0	43	-1.0	-52.63	354.52	8.96	-43.67
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C1	REAL300007981135	0	43	-1.0	-49.57	352.32	8.92	-40.65
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981136	0	43	-1.0	-67.71	341.04	9.61	-58.10
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=CN1	REAL300007981137	0	41	-1.0	-52.40	343.83	6.71	-45.69
O=C([O-])CN1C=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=N1	REAL300007981138	0	43	-1.0	-49.78	360.66	7.06	-42.72
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)S1	REAL300007981139	0	40	-1.0	-47.99	340.50	7.84	-40.15
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981140	0	40	-1.0	-51.01	328.32	6.02	-44.99
O=C([O-])C1CCCN(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C1	REAL300007981141	0	48	-1.0	-50.70	360.19	7.55	-43.15
O=C([O-])C1CCN(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)CC1	REAL300007981142	0	48	-1.0	-46.16	362.62	7.62	-38.54
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981143	0	43	-1.0	-67.71	341.04	9.61	-58.10
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)O1	REAL300007981144	0	40	-1.0	-47.28	332.09	7.00	-40.28
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)O1	REAL300007981145	0	43	-1.0	-51.81	358.37	7.84	-43.97
O=C([O-])CCCS(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981146	0	42	-1.0	-51.51	338.51	7.51	-44.00
O=C([O-])C1CCCN1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981147	0	45	-1.0	-42.57	344.41	7.52	-35.05
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C1	REAL300007981148	0	46	-1.0	-55.75	375.31	9.64	-46.11
O=C([O-])C1CCN(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)CC1	REAL300007981149	0	48	-1.0	-46.16	362.62	7.62	-38.54
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981150	0	46	-1.0	-59.45	374.63	9.61	-49.84
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)O1	REAL300007981151	0	40	-1.0	-47.28	332.09	7.00	-40.28
O=C([O-])CCCS(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981152	0	42	-1.0	-51.51	338.51	7.51	-44.00
O=C([O-])C1=CSC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981153	0	40	-1.0	-49.89	347.90	8.01	-41.88
CC1=CC=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300007981154	0	46	-1.0	-76.23	349.23	8.88	-67.35
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=CS1	REAL300007981155	0	40	-1.0	-50.88	342.03	7.91	-42.97
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981156	0	46	-1.0	-47.60	348.47	8.76	-38.84
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C1	REAL300007981157	0	46	-1.0	-49.31	374.60	9.70	-39.61
O=C([O-])C1=COC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981158	0	40	-1.0	-49.66	341.61	7.20	-42.46
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981159	0	46	-1.0	-52.00	376.69	9.73	-42.27
CC1=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300007981160	0	43	-1.0	-55.34	346.88	7.78	-47.56
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981161	0	42	-1.0	-46.71	349.71	7.10	-39.61
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981162	0	39	-1.0	-48.19	317.91	6.41	-41.78
O=C([O-])C1=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)SC=N1	REAL300007981163	0	39	-1.0	-67.02	332.62	6.48	-60.54
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981164	0	42	-1.0	-70.64	337.65	7.79	-62.85
O=C([O-])CCCCCS(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981165	0	48	-1.0	-52.32	381.51	9.07	-43.25
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=N1	REAL300007981166	0	42	-1.0	-51.07	351.59	7.20	-43.87
CC1=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300007981167	0	46	-1.0	-48.54	371.71	9.53	-39.01
CN(CCC(=O)[O-])S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981168	0	44	-1.0	-49.35	338.79	6.54	-42.81
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981169	0	43	-1.0	-47.02	340.86	8.98	-38.04
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C1	REAL300007981170	0	46	-1.0	-55.75	375.31	9.64	-46.11
CC1=CC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007981171	0	46	-1.0	-52.04	370.74	9.51	-42.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981172	0	46	-1.0	-55.21	353.85	8.91	-46.30
O=C([O-])CC1(CS(=O)(=O)N2CCCSCC2C2=CC=CC=C2)CC1	REAL300007981173	0	46	-1.0	-50.17	357.85	8.75	-41.42
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981174	0	46	-1.0	-52.00	376.69	9.73	-42.27
CCC1=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300007981175	0	46	-1.0	-53.29	365.51	8.34	-44.95
CC1=NC=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007981176	0	45	-1.0	-49.54	362.60	7.54	-42.00
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981177	0	43	-1.0	-50.07	336.50	6.84	-43.23
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981178	0	43	-1.0	-53.51	356.99	8.02	-45.49
O=C([O-])C1=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)OC=C1	REAL300007981179	0	40	-1.0	-62.64	333.77	7.37	-55.27
O=C([O-])C1(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)CCC1	REAL300007981180	0	43	-1.0	-42.66	315.87	7.24	-35.42
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981181	0	40	-1.0	-51.01	328.32	6.02	-44.99
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981182	0	43	-1.0	-50.07	336.50	6.84	-43.23
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=C1	REAL300007981183	0	42	-1.0	-46.84	345.83	7.52	-39.32
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981184	0	46	-1.0	-55.04	365.66	9.98	-45.06
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=CC=N1	REAL300007981185	0	42	-1.0	-54.46	350.67	7.20	-47.26
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=NN1	REAL300007981186	0	40	-1.0	-43.34	334.38	5.52	-37.82
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981187	0	43	-1.0	-57.25	353.95	6.69	-50.56
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C1	REAL300007981188	0	43	-1.0	-51.43	343.60	8.08	-43.35
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)C1	REAL300007981189	0	46	-1.0	-54.27	357.24	8.54	-45.73
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)S1	REAL300007981190	0	43	-1.0	-49.81	366.79	8.73	-41.08
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981191	0	46	-1.0	-65.01	362.58	9.73	-55.28
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981192	0	43	-1.0	-53.98	347.95	8.24	-45.74
O=C([O-])C1CCCCN1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981193	0	48	-1.0	-64.63	363.52	9.15	-55.48
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=NN1	REAL300007981194	0	40	-1.0	-43.34	334.38	5.52	-37.82
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981195	0	45	-1.0	-43.18	344.83	7.38	-35.80
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981196	0	40	-1.0	-51.01	328.32	6.02	-44.99
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981197	0	43	-1.0	-57.09	332.07	8.66	-48.43
CC1=CC(S(=O)(=O)N2CCCSCC2C2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300007981198	0	45	-1.0	-51.29	367.34	7.73	-43.56
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981199	0	46	-1.0	-65.01	362.58	9.73	-55.28
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCCSCC1C1=CC=CC=C1	REAL300007981200	0	42	-1.0	-43.83	317.35	6.82	-37.01
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1	REAL300007981201	0	39	-1.0	-54.79	317.74	3.98	-50.81
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300007981202	0	39	-1.0	-41.87	333.82	3.96	-37.91
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981203	0	44	-1.0	-49.82	370.53	4.35	-45.47
CCCCN(C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981204	0	46	-1.0	-40.76	361.34	3.27	-37.49
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CS1	REAL300007981205	0	36	-1.0	-43.20	319.69	2.86	-40.34
CCC(C)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981206	0	51	-1.0	-45.10	406.44	6.46	-38.64
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300007981207	0	39	-1.0	-44.37	341.58	3.66	-40.71
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007981208	0	36	-1.0	-40.96	336.73	3.48	-37.48
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981209	0	46	-1.0	-44.55	359.28	4.59	-39.96
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007981210	0	43	-1.0	-43.32	353.25	4.05	-39.27
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCOCC1	REAL300007981211	0	42	-1.0	-38.85	323.88	0.29	-38.56
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981212	0	45	-1.0	-54.46	388.46	1.38	-53.08
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007981213	0	43	-1.0	-49.69	363.97	3.75	-45.94
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1OC	REAL300007981214	0	50	-1.0	-44.60	393.74	3.62	-40.98
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981215	0	42	-1.0	-39.74	353.54	5.13	-34.61
CN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981216	0	39	-1.0	-45.05	331.96	1.59	-43.46
CCN(CC)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981217	0	43	-1.0	-54.18	327.54	2.69	-51.49
CN(C1CCCCC1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981218	0	50	-1.0	-42.63	377.98	4.25	-38.38
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981219	0	45	-1.0	-48.86	364.41	2.90	-45.96
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007981220	0	55	-1.0	-43.74	427.36	7.64	-36.10
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007981221	0	45	-1.0	-46.36	369.84	2.98	-43.38
CCC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981222	0	45	-1.0	-54.73	365.83	5.09	-49.64
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300007981223	0	39	-1.0	-42.06	338.28	4.46	-37.60
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007981224	0	39	-1.0	-41.97	349.05	4.48	-37.49
CC1=NNC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981225	0	39	-1.0	-44.88	328.28	0.81	-44.07
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981226	0	44	-1.0	-58.83	343.09	5.73	-53.10
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007981227	0	45	-1.0	-41.86	387.18	5.84	-36.02
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981228	0	49	-1.0	-66.66	406.16	0.25	-66.41
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981229	0	50	-1.0	-44.25	410.38	5.70	-38.55
CC1=CC(F)=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981230	0	42	-1.0	-54.34	345.75	4.68	-49.66
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1CC1	REAL300007981231	0	42	-1.0	-40.62	337.38	4.28	-36.34
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007981232	0	45	-1.0	-53.36	366.73	4.11	-49.25
COCC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981233	0	46	-1.0	-43.59	380.58	3.56	-40.03
CCOC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981234	0	45	-1.0	-43.66	376.80	1.48	-42.18
CS(=O)(=O)CCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981235	0	44	-1.0	-71.02	371.87	-0.27	-71.29
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1C	REAL300007981236	0	49	-1.0	-43.91	382.36	4.55	-39.36
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007981237	0	44	-1.0	-46.81	366.47	4.21	-42.60
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=NOC=C1	REAL300007981238	0	38	-1.0	-46.68	319.16	2.23	-44.45
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=NN1C	REAL300007981239	0	42	-1.0	-44.37	342.89	1.92	-42.45
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300007981240	0	49	-1.0	-59.87	380.02	-0.67	-60.54
CN(C1CCOCC1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981241	0	48	-1.0	-53.95	357.97	1.39	-52.56
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CC2CCC1C2	REAL300007981242	0	45	-1.0	-55.55	332.67	3.38	-52.17
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007981243	0	48	-1.0	-52.16	399.91	5.19	-46.97
CCN1N=C(C)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1C	REAL300007981244	0	48	-1.0	-47.55	383.88	3.73	-43.82
CC(C)N1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981245	0	45	-1.0	-45.20	370.26	2.92	-42.28
CC(C)CN1C=NC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981246	0	48	-1.0	-62.77	385.14	4.95	-57.82
CC(C)N1C=NC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981247	0	45	-1.0	-55.88	366.50	4.47	-51.41
CC(C)C1=NC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CN1	REAL300007981248	0	45	-1.0	-62.90	364.37	2.41	-60.49
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981249	0	51	-1.0	-44.32	373.18	6.79	-37.53
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981250	0	47	-1.0	-54.79	394.24	3.28	-51.51
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CCCOC1	REAL300007981251	0	46	-1.0	-41.52	360.12	2.54	-38.98
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981252	0	42	-1.0	-42.67	344.52	4.70	-37.97
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007981253	0	45	-1.0	-45.44	380.74	6.70	-38.74
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007981254	0	43	-1.0	-45.21	373.17	3.51	-41.70
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981255	0	54	-1.0	-48.28	425.97	5.32	-42.96
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007981256	0	42	-1.0	-53.64	355.12	4.52	-49.12
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981257	0	50	-1.0	-46.46	392.95	3.65	-42.81
COCCC(C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981258	0	45	-1.0	-57.00	349.73	1.91	-55.09
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981259	0	43	-1.0	-40.90	344.27	4.00	-36.90
CCC(C)CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981260	0	44	-1.0	-55.55	338.06	3.90	-51.65
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007981261	0	57	-1.0	-53.16	400.63	5.64	-47.52
CC1=NC2=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=CC=C2C=C1	REAL300007981262	0	47	-1.0	-50.45	370.22	5.31	-45.14
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007981263	0	47	-1.0	-67.75	387.65	5.57	-62.18
CCN(CC1CC1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981264	0	47	-1.0	-40.69	375.42	4.25	-36.44
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007981265	0	50	-1.0	-45.57	402.66	2.38	-43.19
CCCN1C=NC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981266	0	45	-1.0	-62.40	367.65	4.76	-57.64
COCCOCCOCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981267	0	53	-1.0	-56.75	427.47	1.32	-55.43
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCOCC1CC1	REAL300007981268	0	46	-1.0	-53.46	370.04	3.31	-50.15
CC(COC1CCCC1)CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981269	0	55	-1.0	-40.52	425.76	5.21	-35.31
COCC(C)CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981270	0	45	-1.0	-56.30	352.77	2.35	-53.95
CCOCC(C)CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981271	0	48	-1.0	-56.72	374.86	3.30	-53.42
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007981272	0	47	-1.0	-44.29	385.80	1.61	-42.68
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007981273	0	43	-1.0	-39.82	351.32	4.18	-35.64
COC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007981274	0	45	-1.0	-43.01	383.22	4.60	-38.41
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981275	0	45	-1.0	-40.26	378.82	5.59	-34.67
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981276	0	45	-1.0	-41.13	378.70	5.57	-35.56
CC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007981277	0	45	-1.0	-41.50	382.13	5.37	-36.13
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981278	0	48	-1.0	-42.63	372.36	5.83	-36.80
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCCN1CCOCC1	REAL300007981279	0	51	-1.0	-41.60	395.24	1.20	-40.40
CCOC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981280	0	46	-1.0	-53.84	369.31	4.18	-49.66
COCCN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981281	0	46	-1.0	-46.94	387.51	1.48	-45.46
CC(C)(C)CCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981282	0	47	-1.0	-55.75	359.54	4.20	-51.55
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007981283	0	46	-1.0	-56.49	387.28	4.20	-52.29
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007981284	0	47	-1.0	-43.69	399.80	5.98	-37.71
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007981285	0	44	-1.0	-48.90	366.68	4.21	-44.69
CC1CCN(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300007981286	0	44	-1.0	-54.07	335.21	2.93	-51.14
COCC1=CC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981287	0	46	-1.0	-44.38	369.78	3.87	-40.51
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007981288	0	42	-1.0	-48.08	371.72	2.94	-45.14
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007981289	0	42	-1.0	-46.96	363.42	2.73	-44.23
CC1(C)CC2=CC(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])=CC=C2O1	REAL300007981290	0	50	-1.0	-53.32	395.49	5.22	-48.10
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007981291	0	42	-1.0	-48.55	355.01	3.19	-45.36
CSC1=CC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981292	0	43	-1.0	-59.10	356.87	4.68	-54.42
CCC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981293	0	45	-1.0	-54.16	360.62	5.40	-48.76
CCC1=CC=C(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981294	0	48	-1.0	-57.75	389.77	5.81	-51.94
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1=CC=CS1	REAL300007981295	0	42	-1.0	-55.90	358.36	4.29	-51.61
CC1=CC=C(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C	REAL300007981296	0	48	-1.0	-44.09	382.60	6.16	-37.93
CC(C)CN(C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981297	0	46	-1.0	-41.09	359.75	3.57	-37.52
CN(C1CCCC1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981298	0	47	-1.0	-40.21	357.94	3.46	-36.75
CCCN(C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981299	0	43	-1.0	-40.46	339.85	2.48	-37.98
CC1(C)CN(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CCO1	REAL300007981300	0	48	-1.0	-43.07	373.71	2.11	-40.96
CC1=NOC(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981301	0	41	-1.0	-42.14	347.02	2.69	-39.45
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])=CC=C21	REAL300007981302	0	51	-1.0	-46.95	418.48	5.41	-41.54
CCS(=O)(=O)NCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981303	0	46	-1.0	-60.31	382.85	-1.25	-61.56
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007981304	0	45	-1.0	-53.70	366.37	5.14	-48.56
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007981305	0	45	-1.0	-47.62	381.84	6.82	-40.80
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1CCCO1	REAL300007981306	0	46	-1.0	-45.46	364.77	2.58	-42.88
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007981307	0	45	-1.0	-43.54	388.78	5.65	-37.89
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007981308	0	50	-1.0	-57.31	400.15	5.35	-51.96
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007981309	0	48	-1.0	-56.64	384.20	6.81	-49.83
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1N(C)C	REAL300007981310	0	50	-1.0	-44.91	402.66	4.52	-40.39
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007981311	0	44	-1.0	-45.26	348.60	1.12	-44.14
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCOCC1CCCC1	REAL300007981312	0	52	-1.0	-44.34	411.07	4.28	-40.06
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1Cl	REAL300007981313	0	46	-1.0	-43.04	385.17	4.40	-38.64
CSC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1Cl	REAL300007981314	0	43	-1.0	-42.21	380.55	5.30	-36.91
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981315	0	51	-1.0	-46.00	397.76	4.27	-41.73
COC(C)CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981316	0	42	-1.0	-58.37	335.38	1.75	-56.62
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007981317	0	47	-1.0	-51.88	389.28	2.51	-49.37
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=C12	REAL300007981318	0	46	-1.0	-46.46	388.65	1.61	-44.85
CN1N=CC2=CC(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])=CN=C21	REAL300007981319	0	44	-1.0	-46.11	372.13	3.01	-43.10
CCC1=CC(CC)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(CC)=C1	REAL300007981320	0	57	-1.0	-52.08	409.73	8.57	-43.51
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007981321	0	46	-1.0	-60.88	363.33	4.48	-56.40
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007981322	0	48	-1.0	-45.96	391.90	7.64	-38.32
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1F	REAL300007981323	0	46	-1.0	-45.11	374.84	4.05	-41.06
CC1(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CCCCC1	REAL300007981324	0	51	-1.0	-56.57	368.60	5.54	-51.03
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007981325	0	48	-1.0	-45.96	389.26	5.28	-40.68
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007981326	0	47	-1.0	-51.05	392.59	4.85	-46.20
CN1N=NC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981327	0	38	-1.0	-45.27	313.36	0.00	-45.27
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981328	0	46	-1.0	-53.80	389.79	4.18	-49.62
CC1=CC=C(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(F)=C1	REAL300007981329	0	45	-1.0	-61.16	373.36	5.11	-56.05
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981330	0	51	0.0	-59.44	403.87	5.73	-53.71
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007981331	0	39	-1.0	-39.74	358.07	4.04	-35.70
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007981332	0	52	-1.0	-43.45	410.31	7.52	-35.93
CC(C)(C)C1=CC(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=NO1	REAL300007981333	0	50	-1.0	-45.15	408.21	4.54	-40.61
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1CCC1	REAL300007981334	0	45	-1.0	-56.87	356.70	4.22	-52.65
CC(C)(C)CCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981335	0	50	-1.0	-55.72	380.82	4.97	-50.75
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007981336	0	48	-1.0	-48.25	386.33	1.00	-47.25
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007981337	0	42	-1.0	-52.72	356.30	4.56	-48.16
O=C([O-])C(CC1CCOCC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007981337	1	41	-2.0	-125.93	352.25	5.25	-120.68
CC1=C(CCS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])SC=N1	REAL300007981338	0	44	-1.0	-56.11	372.35	2.90	-53.21
COCC1(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300007981339	0	43	-1.0	-64.55	328.60	3.06	-61.49
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC12CCC(CC1)C2	REAL300007981340	0	49	-1.0	-57.03	363.43	5.50	-51.53
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CC(F)(F)C1	REAL300007981341	0	42	-1.0	-39.92	351.62	3.77	-36.15
COC1=CC=C2C=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])CCC2=C1	REAL300007981342	0	51	-1.0	-54.46	398.45	5.57	-48.89
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007981343	0	52	-1.0	-57.60	376.42	6.01	-51.59
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1CCOC1	REAL300007981344	0	46	-1.0	-41.60	362.29	2.28	-39.32
CC(C)(CCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-])S(C)(=O)=O	REAL300007981345	0	50	-1.0	-62.70	386.41	1.27	-61.43
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CCCCC1(F)F	REAL300007981346	0	48	-1.0	-46.70	380.11	4.99	-41.71
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007981347	0	46	-1.0	-44.61	377.75	5.96	-38.65
CN1C=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300007981348	0	39	-1.0	-58.36	322.29	1.77	-56.59
CCC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007981349	0	47	-1.0	-59.86	379.91	5.78	-54.08
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007981350	0	39	-1.0	-51.50	339.66	4.17	-47.33
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007981351	0	39	-1.0	-51.25	344.22	4.28	-46.97
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007981352	0	41	-1.0	-39.65	353.72	4.50	-35.15
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007981353	0	45	-1.0	-46.55	371.46	6.12	-40.43
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007981354	0	41	-1.0	-42.14	355.63	4.56	-37.58
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981355	0	44	-1.0	-40.70	363.25	5.10	-35.60
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981356	0	43	-1.0	-53.68	352.41	2.95	-50.73
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007981357	0	41	-1.0	-49.79	345.10	5.34	-44.45
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981358	0	42	-1.0	-44.98	349.19	4.54	-40.44
CCOC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981359	0	46	-1.0	-44.47	379.11	4.08	-40.39
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1C	REAL300007981360	0	51	-1.0	-45.51	388.51	6.53	-38.98
CC1=CC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300007981361	0	48	-1.0	-44.62	371.53	6.49	-38.13
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981362	0	54	-1.0	-44.40	415.85	6.88	-37.52
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007981363	0	42	-1.0	-51.08	352.50	4.84	-46.24
CC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981364	0	42	-1.0	-54.38	339.12	4.64	-49.74
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C=CC1=CC=CC=C1	REAL300007981365	0	43	-1.0	-47.81	359.67	5.06	-42.75
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007981366	0	42	-1.0	-43.59	346.67	5.23	-38.36
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007981367	0	39	-1.0	-41.98	344.49	4.38	-37.60
CC(=O)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981368	0	44	-1.0	-53.82	364.15	4.06	-49.76
CC1=CC=C(C)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981369	0	45	-1.0	-43.95	361.04	5.22	-38.73
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C	REAL300007981370	0	45	-1.0	-44.69	363.77	5.03	-39.66
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300007981371	0	45	-1.0	-42.68	356.52	5.10	-37.58
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007981372	0	45	-1.0	-60.33	373.21	4.73	-55.60
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981373	0	51	-1.0	-43.95	401.70	6.15	-37.80
CC(C)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981374	0	48	-1.0	-44.82	387.99	5.80	-39.02
CCCC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981375	0	48	-1.0	-54.56	387.33	5.87	-48.69
COC1=CC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981376	0	43	-1.0	-44.43	339.58	3.63	-40.80
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=CC=C1	REAL300007981377	0	42	-1.0	-57.92	346.87	4.37	-53.55
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007981378	0	43	-1.0	-51.72	368.91	3.45	-48.27
CC1=C(C)C(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1C	REAL300007981379	0	54	-1.0	-46.86	401.80	6.97	-39.89
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007981380	0	48	-1.0	-44.45	390.52	3.80	-40.65
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981381	0	55	-1.0	-44.58	414.18	6.27	-38.31
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007981382	0	44	-1.0	-50.88	362.19	5.14	-45.74
CC1=NNC(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981383	0	42	-1.0	-44.29	343.54	1.67	-42.62
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981384	0	57	-1.0	-44.01	425.91	8.18	-35.83
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007981385	0	42	-1.0	-40.85	366.51	4.86	-35.99
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007981386	0	49	-1.0	-55.25	380.69	6.46	-48.79
COC1=CC=C(OC)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981387	0	47	-1.0	-44.99	369.02	2.94	-42.05
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1OC	REAL300007981388	0	47	-1.0	-45.46	384.08	3.03	-42.43
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007981389	0	46	-1.0	-55.43	363.52	5.87	-49.56
CC1=NOC(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981390	0	41	-1.0	-42.45	338.53	2.79	-39.66
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007981391	0	47	-1.0	-54.79	380.72	6.01	-48.78
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007981392	0	44	-1.0	-45.07	361.42	3.68	-41.39
CC(C)CCC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981393	0	54	-1.0	-54.52	426.39	7.16	-47.36
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981394	0	44	-1.0	-57.17	377.12	-1.39	-58.56
CC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007981395	0	47	-1.0	-43.52	392.17	5.70	-37.82
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1C	REAL300007981396	0	47	-1.0	-41.79	382.11	5.81	-35.98
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCCCCC1	REAL300007981397	0	47	-1.0	-54.84	343.18	3.99	-50.85
CC1=CC2=CC=CC(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])=C2N=C1	REAL300007981398	0	47	-1.0	-50.91	372.89	5.57	-45.34
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007981399	0	45	-1.0	-49.25	374.57	4.66	-44.59
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981400	0	43	-1.0	-41.35	356.23	4.15	-37.20
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981401	0	44	-1.0	-49.34	379.69	-1.21	-50.55
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCCCC1	REAL300007981402	0	44	-1.0	-43.17	340.28	2.99	-40.18
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCCC1	REAL300007981403	0	41	-1.0	-43.81	330.01	2.20	-41.61
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007981404	0	48	-1.0	-52.25	359.90	4.71	-47.54
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=CC=CN=C12	REAL300007981405	0	47	-1.0	-48.27	383.70	5.16	-43.11
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C	REAL300007981406	0	47	-1.0	-49.16	378.20	6.48	-42.68
CC1CCN(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300007981407	0	47	-1.0	-54.03	345.16	3.40	-50.63
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007981408	0	51	-1.0	-66.70	406.11	3.34	-63.36
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981409	0	45	-1.0	-54.44	388.46	1.39	-53.05
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007981410	0	49	-1.0	-45.27	389.34	7.68	-37.59
CC1CC(C)CN(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300007981411	0	50	-1.0	-42.57	383.10	4.41	-38.16
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007981412	0	45	-1.0	-46.57	363.22	6.04	-40.53
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007981413	0	49	-1.0	-45.64	399.69	7.24	-38.40
CC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981414	0	42	-1.0	-41.78	346.02	4.62	-37.16
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007981415	0	40	-1.0	-47.23	337.35	2.26	-44.97
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981416	0	43	-1.0	-40.83	354.60	4.46	-36.37
COC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981417	0	43	-1.0	-54.11	347.49	3.26	-50.85
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981418	0	54	-1.0	-44.12	415.93	6.62	-37.50
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1Cl	REAL300007981419	0	42	-1.0	-42.88	360.81	4.94	-37.94
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981420	0	49	-1.0	-53.20	392.20	4.50	-48.70
CCC1=CC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981421	0	45	-1.0	-43.02	356.69	5.57	-37.45
CC1=CC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981422	0	42	-1.0	-42.25	336.60	4.61	-37.64
CC1=NC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CN1C	REAL300007981423	0	42	-1.0	-63.92	343.84	2.89	-61.03
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007981424	0	42	-1.0	-42.70	362.05	5.46	-37.24
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007981425	0	40	-1.0	-51.28	331.69	2.88	-48.40
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007981426	0	44	-1.0	-50.12	350.98	4.84	-45.28
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981427	0	45	-1.0	-39.99	366.01	4.61	-35.38
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1F	REAL300007981428	0	43	-1.0	-43.90	363.41	3.23	-40.67
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1F	REAL300007981429	0	42	-1.0	-45.17	354.42	4.57	-40.60
CC1=CC=C(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981430	0	45	-1.0	-57.80	368.05	5.08	-52.72
CN1C=NC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981431	0	39	-1.0	-63.54	324.34	3.10	-60.44
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CN=C1	REAL300007981432	0	38	-1.0	-42.81	320.51	2.05	-40.76
CC1CCCCN1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981433	0	47	-1.0	-54.32	338.50	3.74	-50.58
CC(C)N(C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981434	0	43	-1.0	-37.11	310.54	2.54	-34.57
CCCN(CCC)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981435	0	49	-1.0	-54.34	370.50	4.19	-50.15
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007981436	0	42	-1.0	-40.10	377.23	5.92	-34.18
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=CC=CC=C12	REAL300007981437	0	49	-1.0	-47.81	393.52	5.67	-42.14
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981438	0	44	-1.0	-39.75	368.06	5.36	-34.39
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981439	0	44	-1.0	-43.82	363.07	5.21	-38.61
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981440	0	47	-1.0	-41.75	384.83	6.18	-35.57
CC(C)CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981441	0	51	-1.0	-44.43	408.92	6.55	-37.88
COCCC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981442	0	49	-1.0	-54.81	399.50	4.16	-50.65
COCCN(CCOC)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981443	0	51	-1.0	-52.70	387.72	1.21	-51.49
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981444	0	42	-1.0	-41.37	356.36	5.08	-36.29
COC1=C(C)C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C	REAL300007981445	0	49	-1.0	-52.70	391.30	4.86	-47.84
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981446	0	55	-1.0	-52.80	434.83	5.98	-46.82
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007981447	0	53	-1.0	-44.50	422.41	6.09	-38.41
CC(C)COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981448	0	52	-1.0	-52.91	415.87	5.37	-47.54
CCCOC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981449	0	49	-1.0	-52.95	395.77	4.68	-48.27
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1Cl	REAL300007981450	0	43	-1.0	-43.40	373.22	3.72	-39.68
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C	REAL300007981451	0	46	-1.0	-44.16	374.91	3.87	-40.29
CC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=C1OC(C)C	REAL300007981452	0	52	-1.0	-44.21	414.71	5.42	-38.79
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300007981453	0	46	-1.0	-43.36	365.63	3.90	-39.46
COCCOC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981454	0	50	-1.0	-55.08	407.90	3.15	-51.93
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=CC=C1F	REAL300007981455	0	42	-1.0	-46.88	355.39	4.55	-42.33
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1C	REAL300007981456	0	47	-1.0	-68.47	352.07	6.06	-62.41
CC1=NC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300007981457	0	41	-1.0	-42.03	344.24	2.24	-39.79
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007981458	0	42	-1.0	-44.84	361.28	5.33	-39.51
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CCCC1	REAL300007981459	0	45	-1.0	-40.84	350.69	4.21	-36.63
COC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=C1F	REAL300007981460	0	43	-1.0	-42.06	361.07	3.20	-38.86
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CSC=C1	REAL300007981461	0	36	-1.0	-52.39	310.03	2.91	-49.48
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007981462	0	49	-1.0	-58.64	392.14	7.38	-51.26
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007981463	0	42	-1.0	-55.69	380.34	5.38	-50.31
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CCCCC1	REAL300007981464	0	48	-1.0	-41.81	369.03	4.94	-36.87
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981465	0	47	-1.0	-50.16	372.18	5.50	-44.66
CNC(=O)C1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CN1C	REAL300007981466	0	47	-1.0	-46.29	389.44	1.49	-44.80
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300007981467	0	49	-1.0	-44.95	379.56	5.12	-39.83
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C	REAL300007981468	0	49	-1.0	-44.58	389.21	4.59	-39.99
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007981469	0	47	-1.0	-48.17	373.23	5.03	-43.14
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007981470	0	44	-1.0	-46.70	358.59	4.25	-42.45
CCN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007981471	0	44	-1.0	-53.09	377.81	4.74	-48.35
CCN1C=C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007981471	1	43	-2.0	-140.05	368.87	4.81	-135.24
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981472	0	47	-1.0	-58.72	380.83	5.25	-53.47
CN(C1CC1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981473	0	41	-1.0	-54.07	316.00	2.54	-51.53
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007981474	0	49	-1.0	-45.77	411.48	5.39	-40.38
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007981475	0	42	-1.0	-60.11	352.37	2.97	-57.14
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981476	0	61	-1.0	-55.23	447.60	6.71	-48.52
CC1=CC=CC(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981477	0	45	-1.0	-44.40	366.73	5.61	-38.79
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007981478	0	42	-1.0	-42.35	350.59	5.01	-37.34
CC1=CC=CC=C1CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981479	0	45	-1.0	-43.59	362.56	5.07	-38.52
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981480	0	49	-1.0	-44.48	378.62	5.38	-39.10
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007981481	0	44	-1.0	-48.91	373.79	4.00	-44.91
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007981482	0	46	-1.0	-54.35	380.46	5.13	-49.22
CCCCCOC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981483	0	55	-1.0	-52.80	438.77	6.24	-46.56
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007981484	0	49	-1.0	-55.99	369.49	6.46	-49.53
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007981485	0	45	-1.0	-45.94	371.38	5.60	-40.34
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007981486	0	44	-1.0	-44.42	363.75	3.17	-41.25
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007981487	0	47	-1.0	-61.73	382.41	5.29	-56.44
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007981488	0	45	-1.0	-42.80	361.10	0.51	-42.29
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007981489	0	44	-1.0	-45.98	373.77	4.01	-41.97
CCOC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300007981490	0	49	-1.0	-43.31	387.50	4.83	-38.48
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007981491	0	43	-1.0	-43.71	344.95	4.11	-39.60
CSC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981492	0	43	-1.0	-53.11	363.12	4.67	-48.44
CCCCCCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981493	0	50	-1.0	-55.95	390.33	5.60	-50.35
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007981494	0	45	-1.0	-42.13	382.91	5.94	-36.19
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981495	0	50	-1.0	-41.89	395.54	5.72	-36.17
CCN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])N=C1C	REAL300007981496	0	45	-1.0	-56.89	366.64	3.89	-53.00
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007981497	0	45	-1.0	-48.17	369.65	3.48	-44.69
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007981498	0	44	-1.0	-46.13	358.37	4.14	-41.99
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CCCO1	REAL300007981499	0	43	-1.0	-59.75	338.45	2.33	-57.42
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CCCCO1	REAL300007981500	0	46	-1.0	-44.29	364.27	2.84	-41.45
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C(F)(F)F	REAL300007981501	0	45	-1.0	-43.10	379.78	5.35	-37.75
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007981502	0	48	-1.0	-46.47	390.32	5.43	-41.04
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=C12	REAL300007981503	0	47	-1.0	-50.46	384.84	3.64	-46.82
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981504	0	46	-1.0	-57.74	387.41	4.63	-53.11
COCC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981505	0	46	-1.0	-55.10	372.79	3.70	-51.40
CC1(C)CC2=CC=CC(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])=C2O1	REAL300007981506	0	50	-1.0	-48.54	390.28	5.09	-43.45
CCN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981507	0	42	-1.0	-46.13	353.84	2.43	-43.70
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007981508	0	42	-1.0	-45.57	363.67	4.97	-40.60
CC(C1CC1)N(C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981509	0	47	-1.0	-41.98	356.91	4.03	-37.95
CN1N=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981510	0	39	-1.0	-42.69	323.27	1.36	-41.33
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007981511	0	42	-1.0	-56.28	369.43	5.66	-50.62
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CCOC1	REAL300007981512	0	43	-1.0	-42.44	341.29	1.75	-40.69
CC1CC2=CC(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])=CC=C2O1	REAL300007981513	0	47	-1.0	-46.53	384.81	4.48	-42.05
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981514	0	51	-1.0	-42.35	379.79	6.85	-35.50
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007981515	0	45	-1.0	-52.60	386.52	4.78	-47.82
CCCCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981516	0	44	-1.0	-55.63	347.09	4.07	-51.56
COCCN(C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981517	0	44	-1.0	-40.80	344.66	1.04	-39.76
CN(CC1CC1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981518	0	44	-1.0	-41.62	351.65	3.43	-38.19
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=C2)=CO1	REAL300007981519	0	48	-1.0	-49.01	404.14	2.92	-46.09
CN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007981520	0	42	-1.0	-46.71	362.21	2.67	-44.04
CN1C=C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007981520	1	41	-2.0	-131.36	365.13	2.44	-128.92
CC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C(C)O1	REAL300007981521	0	42	-1.0	-44.58	349.91	3.39	-41.19
CC1=CSC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981522	0	39	-1.0	-43.69	341.33	3.52	-40.17
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007981523	0	42	-1.0	-56.73	350.24	4.47	-52.26
O=C([O-])C(CC1CCOCC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007981523	1	41	-2.0	-132.50	345.84	5.18	-127.32
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007981524	0	42	-1.0	-51.15	343.98	2.62	-48.53
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981525	0	42	-1.0	-44.67	354.94	0.56	-44.11
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CO1	REAL300007981526	0	36	-1.0	-46.10	310.45	1.86	-44.24
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=C2CCCN12	REAL300007981527	0	43	-1.0	-56.41	337.11	2.90	-53.51
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=COC=C1	REAL300007981528	0	36	-1.0	-52.58	302.39	1.90	-50.68
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])SC=C1	REAL300007981529	0	39	-1.0	-41.53	325.75	3.14	-38.39
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007981530	0	47	-1.0	-53.56	371.44	4.61	-48.95
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007981531	0	46	-1.0	-56.60	354.22	5.48	-51.12
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1CCOC1	REAL300007981532	0	40	-1.0	-41.54	321.69	0.84	-40.70
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CNC=N1	REAL300007981533	0	36	-1.0	-56.63	302.16	1.51	-55.12
CC1=CC=C(N2C=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=N2)C=C1	REAL300007981534	0	49	-1.0	-51.84	401.82	5.76	-46.08
CC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007981535	0	44	-1.0	-40.49	369.57	5.01	-35.48
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCCCF	REAL300007981536	0	41	-1.0	-56.44	332.43	3.40	-53.04
CC1=NN(C)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981537	0	42	-1.0	-47.98	348.62	2.27	-45.71
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])O1	REAL300007981538	0	39	-1.0	-55.10	324.91	2.92	-52.18
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])N(C)N=C1	REAL300007981539	0	42	-1.0	-43.57	341.85	2.24	-41.33
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007981540	0	41	-1.0	-46.78	357.50	3.33	-43.45
CN(C)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981541	0	47	-1.0	-47.20	380.26	4.28	-42.92
CC1=CC2=CC=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=C2C=C1	REAL300007981542	0	48	-1.0	-47.93	395.06	6.81	-41.12
COC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])SC=C1	REAL300007981543	0	40	-1.0	-45.01	336.45	2.21	-42.80
C=CCCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981544	0	42	-1.0	-56.26	338.64	3.82	-52.44
CN(C)C1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981545	0	47	-1.0	-54.98	369.05	4.30	-50.68
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CCC1	REAL300007981546	0	42	-1.0	-40.91	335.09	3.56	-37.35
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007981547	0	44	-1.0	-48.02	350.36	3.74	-44.28
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007981548	0	44	-1.0	-47.01	370.10	3.83	-43.18
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007981549	0	44	-1.0	-53.80	353.48	3.81	-49.99
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007981550	0	45	-1.0	-55.17	380.98	6.03	-49.14
CN1CCCC2=CC=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=C21	REAL300007981551	0	51	-1.0	-46.31	399.72	4.38	-41.93
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007981552	0	41	-1.0	-41.65	360.24	3.07	-38.58
COC1=CC=CC(OC)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981553	0	47	-1.0	-51.48	380.96	4.40	-47.08
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981554	0	47	-1.0	-43.03	381.61	5.80	-37.23
CC1=CC=C(C)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007981555	0	47	-1.0	-70.70	366.47	6.92	-63.78
CC1=CC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007981556	0	47	-1.0	-41.62	380.43	5.77	-35.85
COC1=CC=C(CCS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981557	0	49	-1.0	-56.09	393.51	4.83	-51.26
COC1=CN=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981558	0	42	-1.0	-44.81	350.15	1.33	-43.48
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300007981559	0	48	-1.0	-45.30	400.75	5.51	-39.79
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007981560	0	46	-1.0	-44.64	372.48	6.34	-38.30
COC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC(OC)=C1	REAL300007981561	0	47	-1.0	-55.97	376.97	2.57	-53.40
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1CCCCC1	REAL300007981562	0	51	-1.0	-56.42	388.92	5.36	-51.06
CC1=CC=C(CCS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981563	0	48	-1.0	-43.20	391.86	6.00	-37.20
CC1=CC2=C(C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-])OCO2	REAL300007981564	0	45	-1.0	-42.48	363.04	3.29	-39.19
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007981565	0	42	-1.0	-47.59	341.53	4.45	-43.14
COC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=C1Cl	REAL300007981566	0	43	-1.0	-42.75	373.22	3.72	-39.03
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1CCCC1	REAL300007981567	0	48	-1.0	-56.91	372.67	4.75	-52.16
CN1C=NC2=CC(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])=CC=C21	REAL300007981568	0	45	-1.0	-57.44	366.04	5.29	-52.15
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007981569	0	47	-1.0	-52.00	373.70	5.32	-46.68
CC1=NC2=CC=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=C2O1	REAL300007981570	0	44	-1.0	-52.47	361.36	1.63	-50.84
CCC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1CC	REAL300007981571	0	51	-1.0	-44.79	402.41	6.39	-38.40
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981572	0	47	-1.0	-40.47	378.33	6.49	-33.98
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981573	0	49	-1.0	-57.00	373.53	5.52	-51.48
CC1=C(C)SC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981574	0	42	-1.0	-44.19	358.46	4.23	-39.96
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981575	0	40	-1.0	-40.93	346.84	1.82	-39.11
CC1=NC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300007981576	0	38	-1.0	-42.83	334.02	1.69	-41.14
CCC1=NC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300007981577	0	41	-1.0	-43.42	357.77	2.46	-40.96
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(N)=NO1	REAL300007981578	0	40	-1.0	-46.76	322.51	1.19	-45.57
CC1=C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])C(N)=NO1	REAL300007981578	1	39	-2.0	-119.82	324.45	2.10	-117.72
CN(C)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981579	0	46	-1.0	-46.90	374.28	3.66	-43.24
CC1=CC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300007981580	0	42	-1.0	-57.57	348.30	4.40	-53.17
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007981581	0	45	-1.0	-48.55	370.43	5.61	-42.94
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007981582	0	42	-1.0	-60.03	341.53	2.79	-57.24
CC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC(C)=C1F	REAL300007981583	0	45	-1.0	-50.56	364.76	5.32	-45.24
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007981584	0	46	-1.0	-51.05	383.76	3.62	-47.43
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007981585	0	52	-1.0	-58.85	419.53	5.59	-53.26
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007981586	0	43	-1.0	-53.01	362.94	4.04	-48.97
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007981587	0	41	-1.0	-47.57	343.34	3.66	-43.91
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981588	0	41	-1.0	-45.11	342.12	2.66	-42.45
CC1=NC(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CS1	REAL300007981589	0	41	-1.0	-47.40	356.68	2.22	-45.18
COC(CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-])C1CC1	REAL300007981590	0	46	-1.0	-41.82	364.86	3.51	-38.31
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007981591	0	42	-1.0	-56.49	363.61	4.89	-51.60
CC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=C1Cl	REAL300007981592	0	42	-1.0	-42.10	363.24	4.97	-37.13
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007981593	0	45	-1.0	-51.67	373.61	4.81	-46.86
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007981594	0	47	-1.0	-48.81	378.69	5.04	-43.77
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007981595	0	48	-1.0	-51.59	374.88	4.14	-47.45
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007981596	0	42	-1.0	-42.91	365.19	5.45	-37.46
CCC1(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300007981597	0	42	-1.0	-41.21	327.22	4.02	-37.19
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981598	0	52	-1.0	-53.47	407.72	5.63	-47.84
COC(CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-])C1CCCC1	REAL300007981599	0	52	-1.0	-41.94	393.25	4.61	-37.33
COC(CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-])C1CCCCC1	REAL300007981600	0	55	-1.0	-43.54	415.04	5.01	-38.53
CC1(C)CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CO1	REAL300007981601	0	46	-1.0	-54.62	347.13	2.23	-52.39
CCOC(CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-])C1CC1	REAL300007981602	0	49	-1.0	-42.78	387.08	4.09	-38.69
CCC1=NC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CN1CC1CC1	REAL300007981603	0	52	-1.0	-60.07	405.00	6.00	-54.07
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007981604	0	42	-1.0	-43.85	365.25	3.37	-40.48
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007981605	0	47	-1.0	-44.63	385.08	6.17	-38.46
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981606	0	46	-1.0	-50.73	356.89	3.58	-47.15
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981607	0	42	-1.0	-42.00	367.10	2.42	-39.58
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007981608	0	49	-1.0	-49.42	388.53	7.09	-42.33
CCC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C(C)C=C1OC	REAL300007981609	0	52	-1.0	-43.55	407.82	5.40	-38.15
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])=N1	REAL300007981610	0	40	-2.0	-147.19	344.43	3.44	-143.75
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300007981610	1	41	-1.0	-65.87	345.10	2.95	-62.92
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007981611	0	48	-1.0	-60.50	367.15	6.99	-53.51
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981612	0	48	-1.0	-43.33	394.68	2.39	-40.94
COC1=C(F)C=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981613	0	43	-1.0	-46.69	360.51	3.90	-42.79
CCOC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C(C)C	REAL300007981614	0	55	-1.0	-45.89	437.73	6.12	-39.77
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1F	REAL300007981615	0	51	-1.0	-44.09	403.57	6.08	-38.01
CN1N=C2CCCCC2=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981616	0	49	-1.0	-50.15	369.98	3.89	-46.26
CN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300007981617	0	51	-1.0	-45.44	389.45	4.36	-41.08
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007981618	0	49	-1.0	-48.64	395.16	4.22	-44.42
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981619	0	42	-1.0	-41.95	357.28	2.67	-39.28
COC1=CC=C(F)C=C1CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981620	0	46	-1.0	-58.30	377.34	4.15	-54.15
C=CCCC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981621	0	49	-1.0	-54.48	400.14	6.44	-48.04
CCC1=NN(C)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981622	0	45	-1.0	-47.09	372.75	2.93	-44.16
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007981623	0	43	-1.0	-43.17	376.05	5.60	-37.57
CCCOC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1CC	REAL300007981624	0	55	-1.0	-44.28	439.89	6.34	-37.94
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981625	0	45	-1.0	-41.28	366.84	6.33	-34.95
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCCC1CC1	REAL300007981626	0	45	-1.0	-40.27	358.88	5.06	-35.21
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007981627	0	43	-1.0	-54.81	372.00	5.37	-49.44
CCCC1=CC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981628	0	48	-1.0	-43.09	378.53	6.34	-36.75
COC1=NC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981629	0	42	-1.0	-46.50	337.28	0.96	-45.54
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007981630	0	44	-1.0	-49.15	363.70	4.40	-44.75
CC1=NC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])N1C	REAL300007981631	0	42	-1.0	-45.85	344.67	2.84	-43.01
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=N1	REAL300007981632	0	38	-1.0	-55.57	315.07	2.19	-53.38
CC1=CSC(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981633	0	42	-1.0	-50.53	331.96	4.42	-46.11
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007981634	0	46	-1.0	-46.32	373.57	3.87	-42.45
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007981635	0	46	-1.0	-53.17	361.17	3.10	-50.07
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007981636	0	49	-1.0	-42.34	377.82	4.27	-38.07
CC1(C)COC2=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=NN2C1	REAL300007981637	0	50	-1.0	-46.04	388.17	1.77	-44.27
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007981638	0	45	-1.0	-47.36	394.60	4.79	-42.57
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007981639	0	46	-1.0	-54.45	353.34	3.49	-50.96
COC1=CC(C(C)C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C	REAL300007981640	0	55	-1.0	-45.34	426.63	5.87	-39.47
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981641	0	49	-1.0	-44.58	401.11	5.31	-39.27
CC1CC2=CC=CC(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])=C2O1	REAL300007981642	0	47	-1.0	-46.29	365.62	4.31	-41.98
CC(C)(C)C1=NC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300007981643	0	47	-1.0	-43.98	394.16	3.53	-40.45
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981644	0	44	-1.0	-56.62	368.45	3.48	-53.14
CCN1N=NC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981645	0	41	-1.0	-44.56	334.66	1.08	-43.48
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007981646	0	48	-1.0	-53.82	356.79	3.81	-50.01
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007981647	0	40	-1.0	-40.93	340.38	2.62	-38.31
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007981648	0	42	-1.0	-47.02	364.35	5.29	-41.73
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981649	0	46	-1.0	-47.03	378.24	3.62	-43.41
CC1=CC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1F	REAL300007981650	0	48	-1.0	-53.51	359.34	5.85	-47.66
COC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1OC	REAL300007981651	0	47	-1.0	-49.46	383.48	3.69	-45.77
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=COC2=CC=CC=C21	REAL300007981652	0	42	-1.0	-46.15	342.81	3.62	-42.53
CN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C2CCCC2)=N1	REAL300007981653	0	52	-1.0	-47.39	410.96	4.63	-42.76
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981654	0	51	-1.0	-49.59	406.76	4.48	-45.11
CCCCN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=N1	REAL300007981655	0	51	-1.0	-47.02	412.34	4.39	-42.63
CN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C2CC2)=N1	REAL300007981656	0	46	-1.0	-56.55	364.97	3.60	-52.95
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007981657	0	43	-1.0	-47.34	367.01	3.45	-43.89
CN1N=NC2=C(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])C=CC=C21	REAL300007981658	0	44	-1.0	-57.28	358.91	2.25	-55.03
CC1(C)CCCN(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300007981659	0	50	-1.0	-42.65	382.01	4.29	-38.36
CN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C2CCC2)=N1	REAL300007981660	0	49	-1.0	-47.84	399.35	4.25	-43.59
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981661	0	57	-1.0	-43.40	432.93	7.75	-35.65
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007981662	0	49	-1.0	-51.51	393.77	4.60	-46.91
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007981663	0	43	-1.0	-56.09	344.84	4.76	-51.33
COC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007981664	0	48	-1.0	-57.01	390.14	5.12	-51.89
CCCC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981665	0	48	-1.0	-54.31	382.36	6.15	-48.16
CN1N=C2CCCC2=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981666	0	46	-1.0	-51.03	357.61	3.28	-47.75
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007981667	0	45	-1.0	-54.16	340.28	3.39	-50.77
CC1=CC=CC(C)=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981668	0	45	-1.0	-44.14	353.89	5.42	-38.72
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981669	0	48	-1.0	-43.47	364.53	3.67	-39.80
CC(C)(C)N1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981670	0	48	-1.0	-51.57	384.11	3.70	-47.87
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007981671	0	46	-1.0	-45.46	375.55	2.87	-42.59
CC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007981672	0	44	-1.0	-47.18	369.56	3.74	-43.44
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007981673	0	42	-1.0	-48.29	361.21	4.99	-43.30
CC1=NN(C)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981674	0	42	-1.0	-44.48	347.67	2.02	-42.46
CC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1C	REAL300007981675	0	45	-1.0	-43.69	357.39	5.26	-38.43
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981676	0	50	-1.0	-48.71	411.99	5.94	-42.77
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007981677	0	50	-1.0	-47.08	395.98	6.93	-40.15
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007981678	0	45	-1.0	-45.66	369.18	4.29	-41.37
CN(C1CCC1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981679	0	44	-1.0	-41.79	347.61	2.97	-38.82
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007981680	0	46	-1.0	-56.99	371.80	2.38	-54.61
O=C([O-])C(CC1CCOCC1)NC(=O)N1CCC(F)(F)CC1	REAL300007981681	0	43	-1.0	-53.00	336.37	6.29	-46.71
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007981682	0	39	-1.0	-40.93	340.74	4.07	-36.86
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007981683	0	46	-1.0	-53.59	366.96	6.06	-47.53
COC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=CS1	REAL300007981684	0	40	-1.0	-42.12	334.02	2.81	-39.31
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007981685	0	49	-1.0	-53.34	378.69	3.81	-49.53
CCC(C)N1N=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981686	0	48	-1.0	-43.76	385.45	3.71	-40.05
CN(C(C)(C)C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981687	0	46	-1.0	-54.21	334.29	2.97	-51.24
CCC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])O1	REAL300007981688	0	42	-1.0	-55.42	346.63	3.69	-51.73
CN(C1CCCCCC1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981689	0	53	-1.0	-56.56	389.10	4.60	-51.96
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981690	0	45	-1.0	-45.42	380.98	5.39	-40.03
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007981691	0	43	-1.0	-53.35	357.23	3.53	-49.82
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007981692	0	54	-1.0	-42.86	423.28	6.54	-36.32
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300007981693	0	40	-1.0	-42.65	349.29	2.29	-40.36
CC1=CC(C)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=NC=CC=C12	REAL300007981694	0	50	-1.0	-67.00	380.61	6.24	-60.76
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007981695	0	47	-1.0	-53.80	361.76	3.71	-50.09
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007981696	0	42	-1.0	-44.48	358.17	2.54	-41.94
CCOCC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981697	0	49	-1.0	-55.33	394.93	4.64	-50.69
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981698	0	49	-1.0	-47.96	405.17	4.99	-42.97
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007981699	0	52	-1.0	-46.87	411.90	4.79	-42.08
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1CF	REAL300007981700	0	42	-1.0	-42.50	345.73	4.88	-37.62
CC1=CN=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981701	0	41	-1.0	-45.96	344.14	2.73	-43.23
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=CC=CC=C12	REAL300007981702	0	48	-1.0	-48.12	382.14	6.84	-41.28
CN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007981703	0	49	-1.0	-50.03	395.21	5.07	-44.96
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CC2CC1C2	REAL300007981704	0	42	-1.0	-55.43	322.88	2.92	-52.51
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007981705	0	43	-1.0	-53.51	360.12	5.42	-48.09
CCOCCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981706	0	45	-1.0	-57.43	359.86	2.52	-54.91
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007981707	0	44	-1.0	-63.98	361.95	-2.02	-66.00
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007981708	0	42	-1.0	-51.72	350.99	4.20	-47.52
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1CCC(F)(F)CC1	REAL300007981709	0	45	-1.0	-38.31	354.20	4.56	-33.75
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007981710	0	41	-1.0	-52.81	348.92	3.33	-49.48
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCOC1CCOC1	REAL300007981711	0	47	-1.0	-54.55	377.68	0.88	-53.67
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1COCCO1	REAL300007981712	0	44	-1.0	-41.95	351.36	1.14	-40.81
CC1=NC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007981713	0	48	-1.0	-60.06	392.57	3.82	-56.24
CC1=NC(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007981713	1	47	-2.0	-144.03	394.06	3.69	-140.34
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007981714	0	56	-1.0	-42.26	400.00	6.66	-35.60
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CCN1C=NN=N1	REAL300007981715	0	40	-1.0	-51.54	336.35	2.11	-49.43
CC1(C)COC(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300007981716	0	49	-1.0	-43.45	383.58	2.97	-40.48
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007981717	0	42	-1.0	-63.92	349.74	-0.28	-64.20
CC(C)(CS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-])C(C)(F)F	REAL300007981718	0	47	-1.0	-54.21	357.99	4.47	-49.74
CS(=O)(=O)CCCCS(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981719	0	47	-1.0	-65.32	389.23	0.83	-64.49
CC1(C)CCC(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])OC1	REAL300007981720	0	52	-1.0	-43.33	400.59	4.18	-39.15
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007981721	0	49	-1.0	-55.37	389.20	6.33	-49.04
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007981722	0	43	-1.0	-50.38	374.31	2.85	-47.53
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007981723	0	48	-1.0	-62.17	372.82	1.44	-60.73
COCCC1(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300007981724	0	46	-1.0	-43.78	349.51	2.77	-41.01
CCN1N=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300007981725	0	41	-1.0	-53.91	340.58	0.83	-53.08
CCN1N=CC(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])=N1	REAL300007981725	1	40	-2.0	-128.95	338.86	1.57	-127.38
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007981726	0	52	-1.0	-41.48	390.56	5.77	-35.71
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007981727	0	43	-1.0	-44.04	369.31	5.16	-38.88
COC1=CC=C(C=C(C)S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300007981728	0	50	-1.0	-55.00	389.16	4.90	-50.10
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981729	0	44	-1.0	-57.32	337.90	0.70	-56.62
CC1=COC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981730	0	39	-1.0	-54.73	325.13	2.77	-51.96
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])O1	REAL300007981731	0	39	-1.0	-55.10	324.91	2.92	-52.18
CCC1=NNC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981732	0	42	-1.0	-45.08	349.81	1.62	-43.46
COC1=CSC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1OC	REAL300007981733	0	44	-1.0	-57.44	365.10	1.57	-55.87
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007981734	0	51	-1.0	-44.05	388.27	4.35	-39.70
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981735	0	50	-1.0	-43.18	407.77	5.78	-37.40
COC1=CC(F)=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(F)=C1	REAL300007981736	0	43	-1.0	-45.18	360.87	3.81	-41.37
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])C(F)=C1	REAL300007981736	1	42	-2.0	-137.51	356.00	4.27	-133.24
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007981737	0	43	-1.0	-56.93	363.41	3.61	-53.32
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981738	0	45	-1.0	-49.08	372.18	3.81	-45.27
CN1C=CC2=CC(S(=O)(=O)NC(CC3CCOCC3)C(=O)[O-])=CC=C21	REAL300007981739	0	46	-1.0	-58.82	371.52	5.72	-53.10
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981740	0	45	-1.0	-47.00	359.80	5.69	-41.31
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981741	0	50	-1.0	-54.09	401.33	5.57	-48.52
CCN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C2CC2)=N1	REAL300007981742	0	49	-1.0	-56.75	386.75	4.44	-52.31
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=NSN=C2C=C1	REAL300007981743	0	43	-1.0	-48.27	362.90	3.21	-45.06
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007981744	0	45	-1.0	-44.57	390.40	6.65	-37.92
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007981745	0	38	-1.0	-49.02	347.33	2.12	-46.90
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981746	0	52	-1.0	-46.70	414.46	5.07	-41.63
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=C(Cl)OC=C1	REAL300007981747	0	36	-1.0	-43.40	310.09	1.83	-41.57
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007981748	0	36	-1.0	-39.39	334.31	3.35	-36.04
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007981749	0	45	-1.0	-46.92	386.17	6.71	-40.21
CN1N=C2CCOCC2=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981750	0	47	-1.0	-50.58	361.66	1.47	-49.11
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007981751	0	46	-1.0	-56.18	356.42	5.98	-50.20
CC1(C)CCN(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300007981752	0	50	-1.0	-42.48	380.20	3.96	-38.52
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981753	0	42	-1.0	-42.06	354.40	1.44	-40.62
COC1=NC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1C	REAL300007981754	0	45	-1.0	-50.15	365.97	1.34	-48.81
CC(C)CN1C=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300007981755	0	48	-1.0	-45.72	388.46	3.99	-41.73
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981756	0	48	-1.0	-46.62	384.72	3.40	-43.22
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007981757	0	49	-1.0	-39.44	379.80	1.37	-38.07
COCC1=CC(CS(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=NO1	REAL300007981758	0	45	-1.0	-46.50	380.68	1.69	-44.81
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])N=C1	REAL300007981759	0	50	-1.0	-56.49	387.85	5.02	-51.47
CC(C)N1N=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981760	0	45	-1.0	-52.86	355.61	2.45	-50.41
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007981761	0	46	-1.0	-43.76	374.92	4.04	-39.72
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007981762	0	46	-1.0	-46.82	376.50	4.89	-41.93
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007981763	0	41	-1.0	-55.46	343.46	3.56	-51.90
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007981764	0	44	-1.0	-49.90	361.64	4.22	-45.68
CC1=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C=NN1C(C)C	REAL300007981765	0	48	-1.0	-45.22	384.36	3.45	-41.77
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007981766	0	44	-1.0	-58.70	351.50	4.34	-54.36
CC1=CN=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300007981767	0	44	-1.0	-59.92	343.58	3.33	-56.59
CC1=CN=CC=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981768	0	41	-1.0	-42.03	335.07	2.90	-39.13
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CC=C(Br)CC1	REAL300007981769	0	42	-1.0	-51.29	348.82	2.99	-48.30
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981770	0	47	-1.0	-47.18	377.08	-0.49	-47.67
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CC2CCC(C1)O2	REAL300007981771	0	46	-1.0	-44.29	356.80	2.06	-42.23
N#CC1CCN(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300007981772	0	45	-1.0	-41.08	366.06	3.36	-37.72
COC1=CC=NC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981773	0	42	-1.0	-56.34	344.61	1.51	-54.83
C=CCN(CC=C)S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981774	0	45	-1.0	-41.53	364.99	3.93	-37.60
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C(C(F)F)=C1	REAL300007981775	0	46	-1.0	-45.47	372.16	4.46	-41.01
COC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])N=C1	REAL300007981776	0	42	-1.0	-56.47	340.84	1.99	-54.48
CC1=CC=CN=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981777	0	41	-1.0	-54.91	325.19	2.83	-52.08
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007981778	0	44	-1.0	-47.39	364.12	4.30	-43.09
CCOC1=CC=CN=C1S(=O)(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300007981779	0	45	-1.0	-61.64	362.22	3.39	-58.25
CC1=CC=C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])C2=NC=CC=C12	REAL300007981780	0	47	-1.0	-50.76	368.69	5.38	-45.38
CC1=CC(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=N1	REAL300007981781	0	41	-1.0	-51.43	335.01	2.78	-48.65
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007981782	0	43	-1.0	-48.53	345.95	3.25	-45.28
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)N1CCC(F)(F)C1	REAL300007981783	0	41	-1.0	-52.50	324.77	2.37	-50.13
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CN=CS1	REAL300007981784	0	35	-1.0	-51.41	306.51	1.17	-50.24
O=C([O-])C(CC1CCOCC1)NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007981785	0	41	-1.0	-61.19	349.24	3.12	-58.07
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300007981786	0	52	-1.0	-46.12	403.50	6.00	-40.12
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981787	0	39	-1.0	-49.39	335.49	4.75	-44.64
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981788	0	46	-1.0	-44.52	373.68	6.95	-37.57
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007981789	0	31	-1.0	-40.58	303.98	4.01	-36.57
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981790	0	41	-1.0	-44.60	328.29	4.82	-39.78
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981791	0	37	-1.0	-40.91	328.51	5.83	-35.08
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007981792	0	38	-1.0	-43.20	318.83	4.82	-38.38
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007981793	0	40	-1.0	-54.22	355.70	1.88	-52.34
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007981794	0	38	-1.0	-41.04	340.99	4.15	-36.89
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300007981795	0	45	-1.0	-44.50	362.99	4.31	-40.19
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981796	0	37	-1.0	-40.14	324.38	5.72	-34.42
CC(C)C[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007981797	0	45	-1.0	-41.50	345.29	4.72	-36.78
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981798	0	40	-1.0	-47.80	331.30	3.41	-44.39
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007981799	0	50	-1.0	-44.70	396.86	8.17	-36.53
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007981800	0	40	-1.0	-47.13	339.49	3.51	-43.62
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007981801	0	34	-1.0	-41.80	305.40	4.95	-36.85
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007981802	0	34	-1.0	-41.14	315.95	5.00	-36.14
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981803	0	39	-1.0	-48.17	322.00	6.51	-41.66
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007981804	0	40	-1.0	-41.59	354.42	6.32	-35.27
CC(C)C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007981805	0	44	-1.0	-46.07	376.62	0.85	-45.22
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007981806	0	45	-1.0	-43.53	377.27	6.25	-37.28
CC1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981807	0	37	-1.0	-42.56	322.82	5.09	-37.47
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007981808	0	40	-1.0	-45.36	337.32	4.82	-40.54
COCC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981809	0	41	-1.0	-43.85	349.72	4.11	-39.74
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=N1	REAL300007981810	0	40	-1.0	-44.45	344.03	1.98	-42.47
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007981811	0	43	-1.0	-55.40	380.03	2.56	-52.84
CC(C)C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007981812	0	39	-1.0	-48.34	341.42	0.37	-47.97
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1C	REAL300007981813	0	44	-1.0	-43.54	348.61	5.00	-38.54
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007981814	0	39	-1.0	-44.20	338.97	4.89	-39.31
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007981815	0	37	-1.0	-40.19	337.49	5.68	-34.51
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007981816	0	39	-1.0	-47.07	335.62	4.79	-42.28
CC(C)C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007981817	0	44	-1.0	-53.92	361.44	0.00	-53.92
CC(C)C[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007981818	0	43	-1.0	-40.83	335.42	2.26	-38.57
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007981819	0	43	-1.0	-50.68	361.74	5.41	-45.27
CCN1N=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1C	REAL300007981820	0	43	-1.0	-47.73	353.12	4.28	-43.45
CC(C)C[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007981821	0	40	-1.0	-47.05	339.41	3.49	-43.56
CC(C)C[C@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007981822	0	43	-1.0	-50.06	359.19	5.35	-44.71
CC(C)C[C@H](NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007981823	0	40	-1.0	-50.37	338.18	4.68	-45.69
CC(C)C[C@H](NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007981824	0	40	-1.0	-55.41	333.26	3.32	-52.09
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007981825	0	46	-1.0	-44.23	341.07	7.30	-36.93
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007981826	0	42	-1.0	-52.14	361.10	3.75	-48.39
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300007981827	0	42	-1.0	-43.18	361.30	4.03	-39.15
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Br	REAL300007981828	0	37	-1.0	-42.06	334.15	5.58	-36.48
CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981829	0	37	-1.0	-42.67	312.35	5.07	-37.60
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007981830	0	40	-1.0	-43.22	345.05	6.98	-36.24
CC(C)C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007981831	0	39	-1.0	-39.40	342.77	6.44	-32.96
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007981832	0	38	-1.0	-45.07	340.12	4.05	-41.02
CC(C)C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007981833	0	41	-1.0	-44.33	344.94	6.01	-38.32
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981834	0	49	-1.0	-47.97	393.31	5.81	-42.16
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007981835	0	37	-1.0	-44.33	326.83	5.25	-39.08
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981836	0	45	-1.0	-46.70	362.38	4.09	-42.61
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007985001	0	35	-1.0	-49.36	314.44	2.47	-46.89
COCC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985002	0	36	-1.0	-49.37	323.79	1.69	-47.68
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=N1	REAL300007985003	0	35	-1.0	-47.44	317.75	-0.42	-47.86
CO[C@@H](CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007985004	0	38	-1.0	-60.43	353.72	0.16	-60.27
CO[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007985005	0	34	-1.0	-61.23	317.70	-2.00	-63.23
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=C1C	REAL300007985006	0	39	-1.0	-49.60	328.64	2.78	-46.82
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007985007	0	34	-1.0	-49.18	319.79	2.44	-46.74
CO[C@@H](CNS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007985008	0	32	-1.0	-49.42	313.76	3.29	-46.13
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007985009	0	34	-1.0	-50.24	309.68	2.33	-47.91
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985010	0	46	-1.0	-55.55	406.73	1.14	-54.41
CO[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007985011	0	39	-1.0	-57.06	339.42	-2.47	-59.53
CO[C@@H](CNS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007985012	0	38	-1.0	-54.32	341.87	3.28	-51.04
CCN1N=C(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1C	REAL300007985013	0	38	-1.0	-51.54	327.00	1.84	-49.70
CO[C@@H](CNS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007985014	0	38	-1.0	-56.22	333.03	2.91	-53.31
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007985015	0	41	-1.0	-49.05	320.98	4.46	-44.59
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007985016	0	42	-1.0	-54.75	372.90	4.92	-49.83
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007985017	0	37	-1.0	-62.95	334.82	1.37	-61.58
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007985018	0	35	-1.0	-47.82	335.74	3.09	-44.73
COC1=CC(Cl)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1OC	REAL300007985019	0	37	-1.0	-49.82	329.05	1.21	-48.61
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C(OC)C=C1Br	REAL300007985020	0	37	-1.0	-47.87	339.11	1.75	-46.12
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007985021	0	32	-1.0	-49.34	308.21	3.15	-46.19
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007985022	0	35	-1.0	-48.92	324.08	4.73	-44.19
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007985023	0	34	-1.0	-45.75	321.72	4.22	-41.53
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007985024	0	33	-1.0	-49.14	314.18	1.60	-47.54
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007985025	0	36	-1.0	-50.28	325.84	3.63	-46.65
CO[C@@H](CNS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007985026	0	44	-1.0	-47.60	367.76	3.42	-44.18
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007985027	0	32	-1.0	-48.67	302.86	2.89	-45.78
COCC1=CC=C(OC)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985028	0	40	-1.0	-51.41	344.31	1.50	-49.91
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3CCOC3=C2)C[C@H]1C(F)(F)F	REAL300007991001	0	37	-1.0	-46.26	331.57	4.89	-41.37
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C[C@H]1C(F)(F)F	REAL300007991002	0	38	-1.0	-45.47	358.34	7.05	-38.42
CN1CCCC2=CC=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)C=C21	REAL300007991003	0	44	-1.0	-45.57	366.42	5.45	-40.12
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C[C@H]1C(F)(F)F	REAL300007991004	0	34	-1.0	-46.94	330.28	4.28	-42.66
COC1=CC=CC(OC)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991005	0	40	-1.0	-50.49	350.27	5.54	-44.95
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991006	0	40	-1.0	-46.01	343.95	6.57	-39.44
CC1=CC=C(C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1[N+](=O)[O-]	REAL300007991007	0	40	-1.0	-56.10	348.84	7.93	-48.17
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1[N+](=O)[O-]	REAL300007991008	0	40	-1.0	-47.18	346.17	6.70	-40.48
COC1=CC=C(CCS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1	REAL300007991009	0	42	-1.0	-47.10	371.12	5.82	-41.28
COC1=CN=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991010	0	35	-1.0	-44.65	316.78	2.38	-42.27
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)S1	REAL300007991011	0	41	-1.0	-47.23	368.67	6.70	-40.53
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C[C@H]1C(F)(F)F	REAL300007991012	0	39	-1.0	-44.01	341.45	7.02	-36.99
COC1=CC(OC)=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991013	0	40	-1.0	-47.56	355.30	3.63	-43.93
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2CCCCC2)C[C@H]1C(F)(F)F	REAL300007991014	0	44	-1.0	-44.10	362.37	6.71	-37.39
CC1=CC=C(CCS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1	REAL300007991015	0	41	-1.0	-45.54	363.01	7.20	-38.34
CC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)OCO2	REAL300007991016	0	38	-1.0	-44.83	325.13	4.06	-40.77
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C[C@H]1C(F)(F)F	REAL300007991017	0	35	-1.0	-49.12	317.35	5.23	-43.89
COC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=CC=C1Cl	REAL300007991018	0	36	-1.0	-46.05	341.20	4.91	-41.14
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2CCCC2)C[C@H]1C(F)(F)F	REAL300007991019	0	41	-1.0	-49.29	345.04	6.14	-43.15
CN1C=NC2=CC(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)=CC=C21	REAL300007991020	0	38	-1.0	-50.03	340.47	6.28	-43.75
CC1(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300007991021	0	32	-1.0	-45.68	284.55	4.42	-41.26
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C2=NC=CC=C2C=C1	REAL300007991022	0	40	-1.0	-50.63	337.77	6.44	-44.19
CC1=NC2=CC=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)C=C2O1	REAL300007991023	0	37	-1.0	-46.29	335.85	2.57	-43.72
CCC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1CC	REAL300007991024	0	44	-1.0	-44.35	369.34	7.47	-36.88
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991025	0	40	-1.0	-42.83	348.68	7.14	-35.69
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991026	0	42	-1.0	-49.62	353.14	6.60	-43.02
CC1=C(C)SC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991027	0	35	-1.0	-44.56	325.17	5.32	-39.24
NC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991028	0	33	-1.0	-42.19	313.73	2.88	-39.31
CC1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)S1	REAL300007991029	0	31	-1.0	-43.79	300.74	2.75	-41.04
CCC1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)S1	REAL300007991030	0	34	-1.0	-43.34	322.22	3.50	-39.84
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(N)=NO1	REAL300007991031	0	33	-1.0	-42.03	299.57	2.33	-39.70
CN(C)C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300007991032	0	39	-1.0	-45.52	341.45	4.71	-40.81
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)S1	REAL300007991033	0	35	-1.0	-45.40	328.36	5.54	-39.86
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C[C@H]1C(F)(F)F	REAL300007991034	0	38	-1.0	-47.10	333.42	6.58	-40.52
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=C2OCO3)C[C@H]1C(F)(F)F	REAL300007991035	0	35	-1.0	-46.94	319.62	3.69	-43.25
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=CC(C)=C1F	REAL300007991036	0	38	-1.0	-43.61	342.77	6.36	-37.25
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C[C@H]1C(F)(F)F	REAL300007991037	0	39	-1.0	-47.60	348.19	4.66	-42.94
O=C([O-])[C@@H]1CN(S(=O)(=O)CCCOCC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300007991038	0	45	-1.0	-47.04	397.14	6.58	-40.46
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C[C@H]1C(F)(F)F	REAL300007991039	0	36	-1.0	-56.39	328.36	4.95	-51.44
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C[C@H]1C(F)(F)F	REAL300007991040	0	34	-1.0	-50.54	319.75	4.60	-45.94
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300007991041	0	34	-1.0	-48.33	312.16	3.87	-44.46
CC1=NC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=CS1	REAL300007991042	0	34	-1.0	-47.64	322.56	3.31	-44.33
COC(CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CC1	REAL300007991043	0	39	-1.0	-46.10	335.13	4.38	-41.72
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C[C@H]1C(F)(F)F	REAL300007991044	0	35	-1.0	-45.69	332.72	6.15	-39.54
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=CC=C1Cl	REAL300007991045	0	35	-1.0	-42.42	327.68	6.01	-36.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C[C@H]1C(F)(F)F	REAL300007991046	0	38	-1.0	-49.18	340.30	5.88	-43.30
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C[C@H]1C(F)(F)F	REAL300007991047	0	40	-1.0	-47.41	338.97	6.16	-41.25
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C[C@H]1C(F)(F)F	REAL300007991048	0	41	-1.0	-48.12	353.18	5.43	-42.69
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C[C@H]1C(F)(F)F	REAL300007991049	0	35	-1.0	-45.44	339.91	6.27	-39.17
CCC1(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300007991050	0	35	-1.0	-45.13	300.38	5.14	-39.99
CCC(C)OC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991051	0	45	-1.0	-43.77	382.25	6.57	-37.20
COC(CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCCC1	REAL300007991052	0	45	-1.0	-45.73	372.84	5.44	-40.29
COC(CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCCCC1	REAL300007991053	0	48	-1.0	-44.98	386.63	5.88	-39.10
CC1(C)CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CO1	REAL300007991054	0	39	-1.0	-44.37	331.07	3.50	-40.87
CCOC(CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CC1	REAL300007991055	0	42	-1.0	-48.61	356.38	5.24	-43.37
CCC1=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=CN1CC1CC1	REAL300007991056	0	45	-1.0	-48.24	386.41	6.72	-41.52
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C(C3CC3)S2)C[C@H]1C(F)(F)F	REAL300007991057	0	35	-1.0	-44.84	335.51	4.55	-40.29
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C)=C1[N+](=O)[O-]	REAL300007991058	0	40	-1.0	-47.23	348.22	6.96	-40.27
CN1N=CC(C2CC2)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991059	0	39	-1.0	-43.95	342.17	4.94	-39.01
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991060	0	35	-1.0	-41.97	331.86	3.57	-38.40
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C[C@H]1C(F)(F)F	REAL300007991061	0	42	-1.0	-49.90	356.47	8.18	-41.72
CCC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C(C)C=C1OC	REAL300007991062	0	45	-1.0	-43.46	370.85	6.19	-37.27
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=N1	REAL300007991063	0	34	-1.0	-53.71	322.86	4.04	-49.67
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C2=CC=CC=C2C=C1	REAL300007991064	0	41	-1.0	-46.56	346.96	8.13	-38.43
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300007991065	0	41	-1.0	-43.47	361.37	3.46	-40.01
COC1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991066	0	36	-1.0	-49.21	327.20	5.18	-44.03
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1F	REAL300007991067	0	44	-1.0	-45.52	373.90	7.29	-38.23
CN1N=C2CCCCC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991068	0	42	-1.0	-43.41	349.97	4.99	-38.42
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C(C)(C)C)=N1	REAL300007991069	0	44	-1.0	-43.14	368.20	5.41	-37.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C[C@H]1C(F)(F)F	REAL300007991070	0	42	-1.0	-45.53	363.17	5.40	-40.13
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991071	0	35	-1.0	-44.02	319.26	3.59	-40.43
COC1=CC=C(F)C=C1CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991072	0	39	-1.0	-47.51	354.68	5.17	-42.34
C=CCCC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1	REAL300007991073	0	42	-1.0	-45.04	372.82	7.81	-37.23
CCC1=NN(C)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991074	0	38	-1.0	-48.08	333.99	3.92	-44.16
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C[C@H]1C(F)(F)F	REAL300007991075	0	36	-1.0	-44.44	344.97	6.73	-37.71
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991076	0	38	-1.0	-42.16	337.17	7.01	-35.15
O=C([O-])[C@@H]1CN(S(=O)(=O)CCCC2CC2)C[C@H]1C(F)(F)F	REAL300007991077	0	38	-1.0	-48.13	329.55	5.76	-42.37
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C[C@H]1C(F)(F)F	REAL300007991078	0	36	-1.0	-46.93	337.62	6.54	-40.39
CCCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991079	0	41	-1.0	-44.81	347.31	7.57	-37.24
COC1=NC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991080	0	35	-1.0	-46.87	317.54	2.30	-44.57
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C[C@H]1C(F)(F)F	REAL300007991081	0	37	-1.0	-54.17	326.30	5.25	-48.92
CC1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)N1C	REAL300007991082	0	35	-1.0	-48.41	310.84	3.91	-44.50
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=N2)C[C@H]1C(F)(F)F	REAL300007991083	0	31	-1.0	-49.89	291.44	3.17	-46.72
CC1=CSC(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991084	0	35	-1.0	-43.28	313.54	5.60	-37.68
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C[C@H]1C(F)(F)F	REAL300007991085	0	39	-1.0	-45.59	346.18	4.71	-40.88
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2CCC2)C[C@H]1C(F)(F)F	REAL300007991086	0	39	-1.0	-42.73	339.45	4.80	-37.93
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2CC2CCC2)C[C@H]1C(F)(F)F	REAL300007991087	0	42	-1.0	-44.36	360.09	5.49	-38.87
CC1(C)COC2=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)C=NN2C1	REAL300007991088	0	43	-1.0	-46.99	365.47	2.98	-44.01
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3CCCCN23)C[C@H]1C(F)(F)F	REAL300007991089	0	39	-1.0	-46.04	337.83	5.16	-40.88
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991090	0	42	-1.0	-45.22	359.43	6.32	-38.90
CC1CC2=CC=CC(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)=C2O1	REAL300007991091	0	40	-1.0	-51.97	350.09	5.71	-46.26
CC(C)(C)C1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)S1	REAL300007991092	0	40	-1.0	-46.11	364.36	4.72	-41.39
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991093	0	37	-1.0	-57.09	337.31	4.63	-52.46
CCN1N=NC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991094	0	34	-1.0	-42.13	304.05	2.08	-40.05
O=C([O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C[C@H]1C(F)(F)F	REAL300007991095	0	41	-1.0	-43.95	341.23	4.99	-38.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=NON=C3C=C2)C[C@H]1C(F)(F)F	REAL300007991096	0	33	-1.0	-43.31	307.07	3.71	-39.60
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C[C@H]1C(F)(F)F	REAL300007991097	0	35	-1.0	-46.23	331.03	6.35	-39.88
CN1N=C(C2CC2)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991098	0	39	-1.0	-44.11	342.41	4.70	-39.41
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C)=C1F	REAL300007991099	0	41	-1.0	-43.04	346.60	7.23	-35.81
COC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1OC	REAL300007991100	0	40	-1.0	-50.63	350.16	4.91	-45.72
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=COC3=CC=CC=C23)C[C@H]1C(F)(F)F	REAL300007991101	0	35	-1.0	-46.83	317.81	5.06	-41.77
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C2CCCC2)=N1	REAL300007991102	0	45	-1.0	-46.79	375.54	5.60	-41.19
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991103	0	44	-1.0	-49.37	374.69	5.67	-43.70
CCCCN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C)=N1	REAL300007991104	0	44	-1.0	-46.35	374.47	5.51	-40.84
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C2CC2)=N1	REAL300007991105	0	39	-1.0	-46.88	341.49	4.61	-42.27
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C[C@H]1C(F)(F)F	REAL300007991106	0	36	-1.0	-46.57	334.86	4.62	-41.95
CN1N=NC2=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)C=CC=C21	REAL300007991107	0	37	-1.0	-54.07	337.62	3.53	-50.54
CC1(C)CCCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300007991108	0	43	-1.0	-43.02	346.74	5.31	-37.71
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C2CCC2)=N1	REAL300007991109	0	42	-1.0	-46.82	356.45	5.09	-41.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C[C@H]1C(F)(F)F	REAL300007991110	0	42	-1.0	-45.64	370.38	5.67	-39.97
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(C3CC3)C=CS2)C[C@H]1C(F)(F)F	REAL300007991111	0	36	-1.0	-45.22	332.36	6.25	-38.97
CCCC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991112	0	41	-1.0	-47.06	359.96	7.24	-39.82
CN1N=C2CCCC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991113	0	39	-1.0	-45.78	336.85	4.46	-41.32
O=C([O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C[C@H]1C(F)(F)F	REAL300007991114	0	38	-1.0	-43.33	320.13	4.33	-39.00
CC1=CC=CC(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991115	0	38	-1.0	-46.48	321.73	6.52	-39.96
CC(C)(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991116	0	41	-1.0	-44.33	345.75	4.80	-39.53
CC(C)(C)N1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300007991117	0	41	-1.0	-48.52	360.84	4.76	-43.76
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNN=C2C2CCC2)C[C@H]1C(F)(F)F	REAL300007991118	0	39	-1.0	-45.87	333.49	3.77	-42.10
CC1=NN(C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991119	0	35	-1.0	-44.33	312.63	3.19	-41.14
CC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1C	REAL300007991120	0	38	-1.0	-43.88	317.31	5.97	-37.91
CCCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991121	0	43	-1.0	-52.57	380.15	7.07	-45.50
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C[C@H]1C(F)(F)F	REAL300007991122	0	43	-1.0	-44.88	364.99	8.11	-36.77
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC3=CC=CC=C3C2)C[C@H]1C(F)(F)F	REAL300007991123	0	38	-1.0	-44.72	338.73	5.47	-39.25
CN(C1CCC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991124	0	37	-1.0	-45.32	311.65	4.06	-41.26
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=NOC3=C2COCC3)C[C@H]1C(F)(F)F	REAL300007991125	0	39	-1.0	-50.92	344.18	3.29	-47.63
O=C([O-])[C@@H]1CN(C(=O)N2CCC(F)(F)CC2)C[C@H]1C(F)(F)F	REAL300007991126	0	36	-1.0	-44.80	298.84	6.71	-38.09
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C[C@H]1C(F)(F)F	REAL300007991127	0	32	-1.0	-44.60	315.15	5.16	-39.44
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C[C@H]1C(F)(F)F	REAL300007991128	0	39	-1.0	-47.12	344.90	7.15	-39.97
COC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=CS1	REAL300007991129	0	33	-1.0	-45.23	311.04	3.43	-41.80
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2CCCC2)C[C@H]1C(F)(F)F	REAL300007991130	0	42	-1.0	-43.96	360.57	5.65	-38.31
CCC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991131	0	41	-1.0	-43.80	355.71	4.94	-38.86
CN(C(C)(C)C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991132	0	39	-1.0	-43.00	313.28	3.98	-39.02
CCC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1	REAL300007991133	0	35	-1.0	-47.24	317.25	4.53	-42.71
CN(C1CCCCCC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991134	0	46	-1.0	-43.88	365.22	5.99	-37.89
CC(F)(F)C1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991135	0	38	-1.0	-47.41	348.78	6.56	-40.85
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C[C@H]1C(F)(F)F	REAL300007991136	0	36	-1.0	-45.45	331.46	4.48	-40.97
COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)S1	REAL300007991137	0	33	-1.0	-44.03	320.08	3.48	-40.55
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C[C@H]1C(F)(F)F	REAL300007991138	0	40	-1.0	-44.97	351.30	5.15	-39.82
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CCF)N=C2)C[C@H]1C(F)(F)F	REAL300007991139	0	35	-1.0	-46.69	324.88	3.62	-43.07
CCOCC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991140	0	42	-1.0	-49.02	372.49	5.72	-43.30
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C[C@H]1C(F)(F)F	REAL300007991141	0	45	-1.0	-45.34	382.70	5.99	-39.35
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2CF)C[C@H]1C(F)(F)F	REAL300007991142	0	35	-1.0	-46.87	314.48	6.01	-40.86
CC1=CN=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991143	0	34	-1.0	-44.93	308.65	3.76	-41.17
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C2=CC=CC=C12	REAL300007991144	0	41	-1.0	-48.72	349.23	7.59	-41.13
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC3CC2C3)C[C@H]1C(F)(F)F	REAL300007991145	0	35	-1.0	-44.94	308.02	3.93	-41.01
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C[C@H]1C(F)(F)F	REAL300007991146	0	36	-1.0	-44.48	334.62	6.28	-38.20
CCOCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991147	0	38	-1.0	-45.44	337.23	3.54	-41.90
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2NC(=O)NC2=O)C[C@H]1C(F)(F)F	REAL300007991148	0	37	-1.0	-51.91	339.54	-1.01	-52.92
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3C=CC=CN23)C[C@H]1C(F)(F)F	REAL300007991149	0	35	-1.0	-51.77	323.31	5.41	-46.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CCC(F)(F)CC2)C[C@H]1C(F)(F)F	REAL300007991150	0	38	-1.0	-45.79	329.12	5.46	-40.33
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C[C@H]1C(F)(F)F	REAL300007991151	0	34	-1.0	-45.68	323.14	4.31	-41.37
O=C([O-])[C@@H]1CN(S(=O)(=O)CCOC2CCOC2)C[C@H]1C(F)(F)F	REAL300007991152	0	40	-1.0	-46.77	347.05	2.13	-44.64
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2COCCO2)C[C@H]1C(F)(F)F	REAL300007991153	0	37	-1.0	-47.68	320.60	2.29	-45.39
O=C([O-])[C@@H]1CN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1C(F)(F)F	REAL300007991154	0	49	-1.0	-44.23	373.34	7.92	-36.31
O=C([O-])[C@@H]1CN(S(=O)(=O)CCN2C=NN=N2)C[C@H]1C(F)(F)F	REAL300007991155	0	33	-1.0	-55.33	306.19	2.81	-52.52
CC1(C)COC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300007991156	0	42	-1.0	-48.08	352.45	4.17	-43.91
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2CS(=O)(=O)C2)C[C@H]1C(F)(F)F	REAL300007991157	0	35	-1.0	-54.14	326.44	0.74	-53.40
CC(C)(CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C(C)(F)F	REAL300007991158	0	40	-1.0	-47.08	330.51	5.42	-41.66
CS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991159	0	40	-1.0	-56.36	362.72	1.72	-54.64
CC1(C)CCC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)OC1	REAL300007991160	0	45	-1.0	-47.24	366.96	5.05	-42.19
O=C([O-])[C@@H]1CN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C(F)(F)F	REAL300007991161	0	42	-1.0	-44.36	366.87	7.33	-37.03
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C[C@H]1C(F)(F)F	REAL300007991162	0	36	-1.0	-52.21	340.18	3.96	-48.25
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C[C@H]1C(F)(F)F	REAL300007991163	0	41	-1.0	-51.97	343.92	2.33	-49.64
COCCC1(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300007991164	0	39	-1.0	-44.40	328.55	4.24	-40.16
CCN1N=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=N1	REAL300007991165	0	34	-1.0	-47.51	316.47	1.89	-45.62
O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1C(F)(F)F	REAL300007991166	0	45	-1.0	-44.67	359.75	6.93	-37.74
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C3CC3)S2)C[C@H]1C(F)(F)F	REAL300007991167	0	36	-1.0	-44.53	336.02	6.26	-38.27
COC1=CC=C(C=C(C)S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1	REAL300007991168	0	43	-1.0	-44.98	372.31	6.03	-38.95
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991169	0	37	-1.0	-49.71	319.41	1.86	-47.85
CC1=COC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991170	0	32	-1.0	-46.98	295.76	3.60	-43.38
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1	REAL300007991171	0	32	-1.0	-47.44	295.76	3.74	-43.70
CCC1=NNC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991172	0	35	-1.0	-46.62	312.35	2.55	-44.07
COC1=CSC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1OC	REAL300007991173	0	37	-1.0	-46.23	343.60	3.58	-42.65
O=C([O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C[C@H]1C(F)(F)F	REAL300007991174	0	44	-1.0	-45.43	351.58	5.38	-40.05
CN(CCC1=CC=CC=C1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991175	0	43	-1.0	-45.93	375.76	6.93	-39.00
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(F)=C1	REAL300007991176	0	36	-1.0	-47.16	329.12	4.51	-42.65
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991177	0	38	-1.0	-45.72	335.63	4.92	-40.80
CN1C=CC2=CC(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)=CC=C21	REAL300007991178	0	39	-1.0	-49.80	350.03	6.80	-43.00
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991179	0	38	-1.0	-51.49	332.67	6.82	-44.67
C=C(C)COC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991180	0	43	-1.0	-45.27	375.87	6.53	-38.74
CCN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C2CC2)=N1	REAL300007991181	0	42	-1.0	-46.78	363.03	5.47	-41.31
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C2=NSN=C2C=C1	REAL300007991182	0	36	-1.0	-51.45	325.26	4.04	-47.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C[C@H]1C(F)(F)F	REAL300007991183	0	31	-1.0	-47.25	319.86	2.87	-44.38
CC1=NN(C2CCCC2)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991184	0	45	-1.0	-44.95	384.20	6.20	-38.75
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)OC=C2)C[C@H]1C(F)(F)F	REAL300007991185	0	29	-1.0	-43.97	289.70	3.38	-40.59
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CS2)C[C@H]1C(F)(F)F	REAL300007991186	0	29	-1.0	-41.82	301.01	4.44	-37.38
CN1N=C2CCOCC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991187	0	40	-1.0	-44.61	341.93	2.58	-42.03
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C2CC2)C[C@H]1C(F)(F)F	REAL300007991188	0	39	-1.0	-44.96	324.22	6.59	-38.37
CC1(C)CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300007991189	0	43	-1.0	-43.81	348.63	5.11	-38.70
COC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991190	0	35	-1.0	-44.01	334.34	2.77	-41.24
COC1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1C	REAL300007991191	0	38	-1.0	-46.21	342.99	2.46	-43.75
CC(C)CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300007991192	0	41	-1.0	-45.09	355.14	5.08	-40.01
CC1=NN(C(C)C)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991193	0	41	-1.0	-46.00	350.15	4.49	-41.51
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCN(CC(F)F)CC2)C[C@H]1C(F)(F)F	REAL300007991194	0	42	-1.0	-44.42	356.18	2.76	-41.66
COCC1=CC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=NO1	REAL300007991195	0	38	-1.0	-50.41	350.69	2.91	-47.50
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)N=C1	REAL300007991196	0	43	-1.0	-44.69	364.60	5.31	-39.38
CC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991197	0	38	-1.0	-44.54	337.34	4.25	-40.29
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2CC2CC2)C[C@H]1C(F)(F)F	REAL300007991198	0	39	-1.0	-42.71	342.49	4.85	-37.86
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300007991199	0	39	-1.0	-48.26	352.54	6.06	-42.20
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C[C@H]1C(F)(F)F	REAL300007991200	0	34	-1.0	-46.07	322.27	3.93	-42.14
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC3=CC=CN=C32)C[C@H]1C(F)(F)F	REAL300007991201	0	37	-1.0	-49.95	326.20	5.31	-44.64
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=NN1C(C)C	REAL300007991202	0	41	-1.0	-46.70	350.89	4.59	-42.11
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C[C@H]1C(F)(F)F	REAL300007991203	0	37	-1.0	-49.02	331.93	5.52	-43.50
CC1=CN=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C)=C1	REAL300007991204	0	37	-1.0	-46.38	326.11	4.55	-41.83
CC1=CN=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991205	0	34	-1.0	-43.29	295.32	3.61	-39.68
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991206	0	40	-1.0	-51.70	350.30	0.74	-50.96
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC3CCC(C2)O3)C[C@H]1C(F)(F)F	REAL300007991207	0	39	-1.0	-43.62	317.72	2.78	-40.84
N#CC1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300007991208	0	38	-1.0	-50.24	334.58	4.50	-45.74
COC1=CC=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991209	0	35	-1.0	-47.13	318.54	2.30	-44.83
C=CCN(CC=C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991210	0	38	-1.0	-43.94	337.35	5.02	-38.92
COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)N=C1	REAL300007991211	0	35	-1.0	-45.29	317.61	2.28	-43.01
CC1=CC=CN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991212	0	34	-1.0	-50.03	302.31	3.80	-46.23
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C[C@H]1C(F)(F)F	REAL300007991213	0	37	-1.0	-46.71	326.72	5.19	-41.52
CCOC1=CC=CN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300007991214	0	38	-1.0	-51.61	338.07	4.06	-47.55
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C2=NC=CC=C12	REAL300007991215	0	40	-1.0	-52.41	345.15	6.46	-45.95
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=CC=N1	REAL300007991216	0	34	-1.0	-43.69	308.98	3.76	-39.93
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=CC=CC=C23)C[C@H]1C(F)(F)F	REAL300007991217	0	36	-1.0	-48.49	325.87	4.87	-43.62
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(F)(F)C2)C[C@H]1C(F)(F)F	REAL300007991218	0	34	-1.0	-46.07	312.50	3.52	-42.55
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CS2)C[C@H]1C(F)(F)F	REAL300007991219	0	28	-1.0	-45.06	282.34	2.16	-42.90
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C[C@H]1C(F)(F)F	REAL300007991220	0	34	-1.0	-52.38	321.37	3.97	-48.41
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300007991221	0	45	-1.0	-47.17	374.50	6.90	-40.27
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C1	REAL300007991222	0	42	-1.0	-53.07	369.06	3.33	-49.74
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991223	0	42	-1.0	-59.06	369.76	3.29	-55.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991224	0	45	-1.0	-60.92	373.33	3.62	-57.30
CC1=CC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C1C(=O)[O-]	REAL300007991225	0	45	-1.0	-58.66	385.78	3.82	-54.84
O=C([O-])C1=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=CS1	REAL300007991226	0	39	-1.0	-62.68	350.53	2.85	-59.83
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991227	0	42	-1.0	-59.06	369.76	3.29	-55.77
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C1	REAL300007991228	0	42	-1.0	-53.07	369.06	3.33	-49.74
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991229	0	42	-1.0	-68.20	356.15	4.21	-63.99
O=C([O-])C1=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=CN1	REAL300007991230	0	40	-1.0	-56.59	358.27	1.03	-55.56
O=C([O-])CN1C=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=N1	REAL300007991231	0	42	-1.0	-54.88	374.30	1.42	-53.46
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)S1	REAL300007991232	0	39	-1.0	-51.07	361.34	2.45	-48.62
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991233	0	39	-1.0	-53.28	342.97	0.27	-53.01
O=C([O-])C1CCCN(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C1	REAL300007991234	0	47	-1.0	-54.72	387.54	2.42	-52.30
O=C([O-])C1CCN(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)CC1	REAL300007991235	0	47	-1.0	-53.13	388.06	2.49	-50.64
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991236	0	42	-1.0	-68.20	356.15	4.21	-63.99
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)O1	REAL300007991237	0	39	-1.0	-52.47	353.84	1.69	-50.78
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)O1	REAL300007991238	0	42	-1.0	-54.00	372.74	2.12	-51.88
O=C([O-])CCCS(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991239	0	41	-1.0	-54.87	355.09	1.95	-52.92
O=C([O-])C1CCCN1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991240	0	44	-1.0	-56.47	366.36	1.70	-54.77
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C1	REAL300007991241	0	45	-1.0	-61.42	393.57	4.02	-57.40
O=C([O-])C1CCN(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)CC1	REAL300007991242	0	47	-1.0	-53.13	388.06	2.49	-50.64
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991243	0	45	-1.0	-61.38	392.86	4.05	-57.33
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)O1	REAL300007991244	0	39	-1.0	-52.47	353.84	1.69	-50.78
O=C([O-])CCCS(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991245	0	41	-1.0	-54.87	355.09	1.95	-52.92
O=C([O-])C1=CSC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991246	0	39	-1.0	-54.66	362.93	2.32	-52.34
CC1=CC=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1C(=O)[O-]	REAL300007991247	0	45	-1.0	-63.34	377.07	4.22	-59.12
O=C([O-])C1=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=CS1	REAL300007991248	0	39	-1.0	-56.52	360.73	2.35	-54.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991249	0	45	-1.0	-55.43	368.39	3.47	-51.96
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C1	REAL300007991250	0	45	-1.0	-52.65	391.25	4.10	-48.55
O=C([O-])C1=COC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991251	0	39	-1.0	-53.45	354.75	1.41	-52.04
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991252	0	45	-1.0	-51.24	391.93	4.06	-47.18
CC1=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C(C(=O)[O-])O1	REAL300007991253	0	42	-1.0	-58.25	367.27	2.28	-55.97
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991254	0	41	-1.0	-49.09	364.91	1.49	-47.60
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991255	0	38	-1.0	-66.56	346.58	1.31	-65.25
O=C([O-])C1=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)SC=N1	REAL300007991256	0	38	-1.0	-66.20	351.47	1.11	-65.09
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991257	0	41	-1.0	-69.26	353.08	2.43	-66.83
O=C([O-])CCCCCS(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991258	0	47	-1.0	-56.06	398.09	3.52	-52.54
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=N1	REAL300007991259	0	41	-1.0	-55.44	364.94	1.52	-53.92
CC1=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=CC=C1C(=O)[O-]	REAL300007991260	0	45	-1.0	-51.81	385.74	3.83	-47.98
CN(CCC(=O)[O-])S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991261	0	43	-1.0	-50.98	368.49	1.51	-49.47
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991262	0	42	-1.0	-58.31	362.68	3.36	-54.95
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C1	REAL300007991263	0	45	-1.0	-61.42	393.57	4.02	-57.40
CC1=CC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C1C(=O)[O-]	REAL300007991264	0	45	-1.0	-58.66	385.78	3.82	-54.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991265	0	45	-1.0	-60.92	373.33	3.62	-57.30
O=C([O-])CC1(CS(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)CC1	REAL300007991266	0	45	-1.0	-56.84	380.94	3.13	-53.71
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991267	0	45	-1.0	-51.24	391.93	4.06	-47.18
CCC1=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C(C(=O)[O-])O1	REAL300007991268	0	45	-1.0	-53.20	386.09	2.85	-50.35
CC1=NC=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C=C1C(=O)[O-]	REAL300007991269	0	44	-1.0	-51.74	380.52	2.02	-49.72
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991270	0	42	-1.0	-52.24	359.32	1.61	-50.63
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991271	0	42	-1.0	-52.59	372.46	2.26	-50.33
O=C([O-])C1=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)OC=C1	REAL300007991272	0	39	-1.0	-62.87	351.10	1.72	-61.15
O=C([O-])C1(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)CCC1	REAL300007991273	0	42	-1.0	-50.85	347.13	2.13	-48.72
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991274	0	39	-1.0	-53.28	342.97	0.27	-53.01
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991275	0	42	-1.0	-52.24	359.32	1.61	-50.63
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=C1	REAL300007991276	0	41	-1.0	-51.00	365.29	1.44	-49.56
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991277	0	45	-1.0	-57.34	382.82	4.45	-52.89
O=C([O-])C1=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=CC=N1	REAL300007991278	0	41	-1.0	-60.52	365.14	1.53	-58.99
O=C([O-])C1=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=NN1	REAL300007991279	0	39	-1.0	-48.01	352.56	-0.42	-48.43
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991280	0	42	-1.0	-60.06	369.58	1.11	-58.95
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C1	REAL300007991281	0	42	-1.0	-56.31	359.65	2.48	-53.83
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C1	REAL300007991282	0	45	-1.0	-57.58	372.37	2.81	-54.77
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)S1	REAL300007991283	0	42	-1.0	-54.52	379.16	3.00	-51.52
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991284	0	45	-1.0	-62.43	377.42	4.59	-57.84
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991285	0	42	-1.0	-56.59	366.45	2.67	-53.92
O=C([O-])C1CCCCN1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991286	0	47	-1.0	-53.23	373.93	3.14	-50.09
O=C([O-])C1=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=NN1	REAL300007991287	0	39	-1.0	-48.01	352.56	-0.42	-48.43
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991288	0	44	-1.0	-59.66	368.84	2.45	-57.21
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991289	0	39	-1.0	-53.28	342.97	0.27	-53.01
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991290	0	42	-1.0	-60.15	349.43	3.04	-57.11
CC1=CC(S(=O)(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)=CN=C1C(=O)[O-]	REAL300007991291	0	44	-1.0	-54.28	382.13	2.05	-52.23
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991292	0	45	-1.0	-62.43	377.42	4.59	-57.84
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300007991293	0	41	-1.0	-59.18	351.58	2.43	-56.75
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991294	0	37	-1.0	-51.53	343.29	4.91	-46.62
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991295	0	37	-1.0	-56.91	344.12	4.97	-51.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C(C(F)(F)F)N=C1	REAL300007991296	0	40	-1.0	-55.60	360.59	5.95	-49.65
CC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300007991297	0	40	-1.0	-51.02	360.14	5.50	-45.52
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991298	0	34	-1.0	-48.62	327.52	4.73	-43.89
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991299	0	37	-1.0	-56.91	344.12	4.97	-51.94
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991300	0	37	-1.0	-51.53	343.29	4.91	-46.62
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991301	0	37	-1.0	-51.88	333.10	5.77	-46.11
C[C@@H](NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991302	0	35	-1.0	-54.60	331.89	2.60	-52.00
C[C@@H](NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991303	0	37	-1.0	-51.50	348.75	3.07	-48.43
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991304	0	34	-1.0	-48.83	336.16	4.13	-44.70
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991305	0	34	-1.0	-53.58	320.28	1.99	-51.59
C[C@@H](NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991306	0	42	-1.0	-53.26	360.73	4.19	-49.07
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991307	0	42	-1.0	-54.67	360.64	4.24	-50.43
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991308	0	37	-1.0	-51.88	333.10	5.77	-46.11
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991309	0	34	-1.0	-49.30	329.05	3.36	-45.94
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)O1	REAL300007991310	0	37	-1.0	-51.89	347.32	3.81	-48.08
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991311	0	36	-1.0	-54.82	328.55	3.53	-51.29
C[C@@H](NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991312	0	39	-1.0	-46.73	336.18	3.70	-43.03
C[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991313	0	40	-1.0	-61.90	366.32	5.63	-56.27
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991314	0	42	-1.0	-54.67	360.64	4.24	-50.43
C[C@@H](NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991315	0	40	-1.0	-61.37	367.12	5.68	-55.69
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991316	0	34	-1.0	-49.30	329.05	3.36	-45.94
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991317	0	36	-1.0	-54.82	328.55	3.53	-51.29
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991318	0	34	-1.0	-52.75	336.32	3.97	-48.78
CC1=CC=CC(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)=C1C(=O)[O-]	REAL300007991319	0	40	-1.0	-55.50	362.18	6.07	-49.43
C[C@@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991320	0	34	-1.0	-50.85	335.79	4.01	-46.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)C1=CC=C(C(F)(F)F)N=C1	REAL300007991321	0	40	-1.0	-51.90	353.78	5.75	-46.15
C[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991322	0	40	-1.0	-51.50	365.49	5.69	-45.81
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991323	0	34	-1.0	-51.52	329.34	3.08	-48.44
C[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991324	0	40	-1.0	-55.21	366.29	5.74	-49.47
CC1=C(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300007991325	0	37	-1.0	-53.84	348.10	4.06	-49.78
C[C@@H](NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991326	0	36	-1.0	-50.55	338.49	3.07	-47.48
C[C@@H](NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991327	0	33	-1.0	-53.34	321.85	3.16	-50.18
C[C@@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991327	1	32	-2.0	-116.29	320.41	3.06	-113.23
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991328	0	33	-1.0	-64.22	327.38	2.75	-61.47
C[C@@H](NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991329	0	36	-1.0	-55.50	330.29	4.00	-51.50
C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991330	0	42	-1.0	-56.76	371.55	5.10	-51.66
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991331	0	36	-1.0	-53.06	339.15	3.08	-49.98
CC1=CC(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300007991332	0	40	-1.0	-51.07	360.13	5.52	-45.55
C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991333	0	38	-1.0	-51.85	343.82	3.29	-48.56
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@H](C)C1=CC=C(C(F)(F)F)N=C1	REAL300007991334	0	37	-1.0	-49.78	346.23	5.50	-44.28
C[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991335	0	40	-1.0	-61.90	366.32	5.63	-56.27
CC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300007991336	0	40	-1.0	-51.02	360.14	5.50	-45.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C(C(F)(F)F)N=C1	REAL300007991337	0	40	-1.0	-55.60	360.59	5.95	-49.65
C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991338	0	40	-1.0	-51.08	353.32	4.82	-46.26
C[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991339	0	40	-1.0	-55.21	366.29	5.74	-49.47
CCC1=C(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)C=C(C(=O)[O-])O1	REAL300007991340	0	40	-1.0	-53.49	369.29	4.88	-48.61
CC1=NC=C(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)C=C1C(=O)[O-]	REAL300007991341	0	39	-1.0	-46.06	355.56	3.69	-42.37
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C(C(F)(F)F)N=C1	REAL300007991342	0	37	-1.0	-47.30	333.87	3.13	-44.17
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300007991343	0	37	-1.0	-50.01	347.05	3.94	-46.07
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991344	0	34	-1.0	-60.29	327.91	3.43	-56.86
C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991345	0	37	-1.0	-46.07	329.47	4.25	-41.82
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991346	0	34	-1.0	-53.58	320.28	1.99	-51.59
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C(C(F)(F)F)N=C1	REAL300007991347	0	37	-1.0	-47.30	333.87	3.13	-44.17
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991348	0	36	-1.0	-50.34	340.32	3.10	-47.24
C[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991349	0	40	-1.0	-58.88	357.09	6.12	-52.76
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991350	0	34	-1.0	-48.19	343.98	3.63	-44.56
C[C@@H](NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991351	0	36	-1.0	-54.42	340.20	3.21	-51.21
C[C@@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991352	0	34	-1.0	-45.73	327.66	1.19	-44.54
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=C(C(F)(F)F)N=C1	REAL300007991353	0	37	-1.0	-55.19	344.91	2.63	-52.56
C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991354	0	37	-1.0	-56.66	331.96	4.02	-52.64
C[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991355	0	40	-1.0	-58.35	348.19	4.57	-53.78
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)S1	REAL300007991356	0	37	-1.0	-52.64	353.97	4.69	-47.95
C[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991357	0	40	-1.0	-59.51	357.93	6.21	-53.30
C[C@@H](NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991358	0	37	-1.0	-56.55	339.99	4.31	-52.24
C[C@@H](NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991359	0	42	-1.0	-50.06	349.30	5.17	-44.89
C[C@@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300007991360	0	34	-1.0	-45.73	327.66	1.19	-44.54
C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991361	0	39	-1.0	-57.58	342.55	4.16	-53.42
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991362	0	34	-1.0	-53.58	320.28	1.99	-51.59
C[C@@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991363	0	37	-1.0	-60.96	324.83	4.82	-56.14
CC1=CC(S(=O)(=O)N[C@H](C)C2=CC=C(C(F)(F)F)N=C2)=CN=C1C(=O)[O-]	REAL300007991364	0	39	-1.0	-54.36	356.50	3.73	-50.63
C[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991365	0	40	-1.0	-59.51	357.93	6.21	-53.30
C[C@@H](NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991366	0	36	-1.0	-46.23	329.13	4.00	-42.23
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991367	0	37	-1.0	-48.14	326.15	4.96	-43.18
CCC(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991368	0	44	-1.0	-44.81	366.57	7.22	-37.59
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007991369	0	29	-1.0	-40.53	296.88	4.23	-36.30
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991370	0	39	-1.0	-44.68	321.11	5.06	-39.62
CC1=CC=C(Br)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991371	0	35	-1.0	-39.87	318.18	6.00	-33.87
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007991372	0	36	-1.0	-53.50	328.66	4.78	-48.72
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991373	0	38	-1.0	-52.87	346.42	2.11	-50.76
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007991374	0	36	-1.0	-40.88	333.91	4.42	-36.46
COC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1OC	REAL300007991375	0	43	-1.0	-56.60	358.97	4.53	-52.07
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991376	0	35	-1.0	-39.18	313.63	5.89	-33.29
CN(C1CCCCC1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991377	0	43	-1.0	-54.49	338.87	4.76	-49.73
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991378	0	38	-1.0	-46.09	325.10	3.68	-42.41
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007991379	0	48	-1.0	-43.13	387.52	8.38	-34.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007991380	0	38	-1.0	-46.81	330.14	3.73	-43.08
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300007991381	0	32	-1.0	-53.97	301.18	5.14	-48.83
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007991382	0	32	-1.0	-40.50	306.96	5.20	-35.30
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991383	0	37	-1.0	-48.40	316.44	6.84	-41.56
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007991384	0	38	-1.0	-54.62	349.48	6.49	-48.13
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991385	0	42	-1.0	-65.39	369.91	1.07	-64.32
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991386	0	43	-1.0	-43.12	368.17	6.43	-36.69
CC1=CC(F)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991387	0	35	-1.0	-53.62	315.22	5.25	-48.37
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007991388	0	38	-1.0	-53.26	333.47	4.99	-48.27
COCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991389	0	39	-1.0	-44.47	342.97	4.36	-40.11
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007991390	0	38	-1.0	-51.10	336.48	2.11	-48.99
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991391	0	41	-1.0	-54.08	370.75	2.81	-51.27
CS(=O)(=O)CCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991392	0	37	-1.0	-69.91	336.48	0.51	-69.40
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1C	REAL300007991393	0	42	-1.0	-44.38	346.25	5.40	-38.98
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007991394	0	37	-1.0	-45.93	344.39	5.05	-40.88
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007991395	0	35	-1.0	-39.71	328.20	5.87	-33.84
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007991396	0	37	-1.0	-56.23	328.58	4.88	-51.35
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300007991397	0	42	-1.0	-43.25	360.89	0.32	-42.93
CN(C1CCOCC1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991398	0	41	-1.0	-52.71	325.49	2.25	-50.46
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007991399	0	41	-1.0	-57.21	360.28	5.79	-51.42
CCN1N=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007991400	0	41	-1.0	-47.03	344.13	4.48	-42.55
CC(C)N1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007991401	0	38	-1.0	-46.12	330.40	3.67	-42.45
CC(C)CN1C=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991402	0	41	-1.0	-62.35	353.15	5.52	-56.83
CC(C)N1C=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991403	0	38	-1.0	-62.39	334.29	4.91	-57.48
CC(C)C1=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CN1	REAL300007991404	0	38	-1.0	-62.95	332.65	2.96	-59.99
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991405	0	44	-1.0	-45.41	331.79	7.11	-38.30
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007991406	0	45	-1.0	-58.25	390.10	7.37	-50.88
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991407	0	40	-1.0	-50.19	354.39	4.03	-46.16
COC1=CC(Cl)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1OC	REAL300007991408	0	40	-1.0	-53.20	355.56	4.20	-49.00
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Br	REAL300007991409	0	35	-1.0	-43.75	327.41	5.81	-37.94
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991410	0	35	-1.0	-51.25	306.32	5.39	-45.86
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007991411	0	38	-1.0	-52.84	341.55	7.18	-45.66
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007991412	0	37	-1.0	-38.11	333.39	6.59	-31.52
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007991413	0	36	-1.0	-44.75	333.38	4.25	-40.50
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007991414	0	39	-1.0	-53.63	350.98	5.61	-48.02
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991415	0	47	-1.0	-45.59	382.25	5.92	-39.67
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007991416	0	35	-1.0	-42.54	319.89	5.52	-37.02
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991417	0	43	-1.0	-46.54	354.78	4.12	-42.42