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CC1=CC(S(=O)(=O)NCCC2CCC3(CCOCC3)CO2)=CC=C1C(=O)[O-]	REAL300008000156	0	53	-1.0	-49.54	409.77	4.90	-44.64
CN(CCC(=O)[O-])S(=O)(=O)NCCC1CCC2(CCOCC2)CO1	REAL300008000157	0	51	-1.0	-49.82	393.14	2.52	-47.30
O=C([O-])C1=CC=C(CS(=O)(=O)NCCC2CCC3(CCOCC3)CO2)C=C1	REAL300008000158	0	53	-1.0	-57.98	417.48	5.03	-52.95
CC1=CC=C(S(=O)(=O)NCCC2CCC3(CCOCC3)CO2)C=C1C(=O)[O-]	REAL300008000159	0	53	-1.0	-56.43	413.76	4.95	-51.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1CCC2(CCOCC2)CO1	REAL300008000160	0	53	-1.0	-57.47	408.32	5.22	-52.25
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CC1=NC=C(S(=O)(=O)NCCC2CCC3(CCOCC3)CO2)C=C1C(=O)[O-]	REAL300008000163	0	52	-1.0	-49.17	405.13	3.02	-46.15
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CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1CCC2(CCOCC2)CO1	REAL300008000169	0	50	-1.0	-53.46	385.67	2.65	-50.81
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O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC1CCC2(CCOCC2)CO1	REAL300008000181	0	52	-1.0	-61.54	393.56	3.50	-58.04
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CC1=CC(S(=O)(=O)NCCC2CCC3(CCOCC3)CO2)=CN=C1C(=O)[O-]	REAL300008000184	0	52	-1.0	-52.37	406.44	3.11	-49.26
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O=C([O-])C1=CC=NC=C1S(=O)(=O)NCCC1CCC2(CCOCC2)CO1	REAL300008000186	0	49	-1.0	-44.52	378.59	3.42	-41.10
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O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000188	0	39	-1.0	-54.43	343.40	7.59	-46.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000189	0	42	-1.0	-57.05	351.15	8.11	-48.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000190	0	43	-1.0	-58.65	368.57	7.42	-51.23
CC1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C1C(=O)[O-]	REAL300008000191	0	42	-1.0	-54.08	359.80	8.10	-45.98
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O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000195	0	39	-1.0	-68.29	335.93	8.80	-59.49
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O=C([O-])CN1C=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=N1	REAL300008000197	0	39	-1.0	-51.99	347.80	5.73	-46.26
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)S1	REAL300008000198	0	36	-1.0	-49.51	336.03	6.70	-42.81
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000199	0	36	-1.0	-55.45	319.00	4.66	-50.79
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O=C([O-])C1CCN(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)CC1	REAL300008000201	0	44	-1.0	-50.05	361.88	6.80	-43.25
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000202	0	39	-1.0	-68.29	335.93	8.80	-59.49
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)O1	REAL300008000203	0	36	-1.0	-51.35	327.67	6.01	-45.34
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)O1	REAL300008000204	0	39	-1.0	-52.10	347.99	6.50	-45.60
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O=C([O-])C1CCCN1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000206	0	41	-1.0	-61.83	344.73	6.56	-55.27
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C1	REAL300008000207	0	42	-1.0	-58.79	367.24	8.33	-50.46
O=C([O-])C1CCN(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)CC1	REAL300008000208	0	44	-1.0	-50.05	361.88	6.80	-43.25
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000209	0	42	-1.0	-60.68	367.61	8.30	-52.38
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)O1	REAL300008000210	0	36	-1.0	-51.35	327.67	6.01	-45.34
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C1	REAL300008000211	0	43	-1.0	-50.23	374.31	7.88	-42.35
O=C([O-])CCCS(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000212	0	38	-1.0	-53.17	328.86	6.25	-46.92
O=C([O-])C1=CSC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000213	0	36	-1.0	-52.37	336.40	6.63	-45.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1C	REAL300008000214	0	45	-1.0	-58.02	368.47	8.65	-49.37
CC1=CC=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1C(=O)[O-]	REAL300008000215	0	42	-1.0	-71.62	360.29	8.79	-62.83
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=CS1	REAL300008000216	0	36	-1.0	-54.45	335.45	6.62	-47.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000217	0	42	-1.0	-51.73	345.85	7.96	-43.77
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C1	REAL300008000218	0	42	-1.0	-51.15	365.41	8.38	-42.77
O=C([O-])C1=COC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000219	0	36	-1.0	-51.01	328.43	5.70	-45.31
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000220	0	42	-1.0	-51.13	365.57	8.37	-42.76
CC1=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C(C(=O)[O-])O1	REAL300008000221	0	39	-1.0	-56.14	341.01	6.55	-49.59
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000222	0	38	-1.0	-48.40	338.40	5.80	-42.60
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000223	0	35	-1.0	-66.17	324.23	5.80	-60.37
O=C([O-])C1=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)SC=N1	REAL300008000224	0	35	-1.0	-66.71	325.84	5.42	-61.29
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000225	0	38	-1.0	-69.72	332.02	7.05	-62.67
O=C([O-])CCCCCS(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000226	0	44	-1.0	-54.11	371.86	7.82	-46.29
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=N1	REAL300008000227	0	38	-1.0	-52.50	339.66	5.78	-46.72
COC1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C1C(=O)[O-]	REAL300008000228	0	43	-1.0	-62.20	371.08	7.64	-54.56
CC1=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=CC=C1C(=O)[O-]	REAL300008000229	0	42	-1.0	-50.15	359.79	8.11	-42.04
CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000230	0	40	-1.0	-50.62	343.44	5.76	-44.86
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000231	0	39	-1.0	-54.73	338.77	7.89	-46.84
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C1	REAL300008000232	0	42	-1.0	-58.79	367.24	8.33	-50.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000233	0	43	-1.0	-58.65	368.57	7.42	-51.23
CC1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C1C(=O)[O-]	REAL300008000234	0	42	-1.0	-54.08	359.80	8.10	-45.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000235	0	42	-1.0	-57.05	351.15	8.11	-48.94
O=C([O-])CC1(CS(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)CC1	REAL300008000236	0	42	-1.0	-52.82	354.87	7.42	-45.40
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000237	0	42	-1.0	-51.13	365.57	8.37	-42.76
CCC1=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C(C(=O)[O-])O1	REAL300008000238	0	42	-1.0	-53.32	361.75	7.25	-46.07
CC1=NC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C1C(=O)[O-]	REAL300008000239	0	41	-1.0	-47.93	354.68	6.31	-41.62
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000240	0	43	-1.0	-50.61	366.76	7.48	-43.13
COC1=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=CC=C1C(=O)[O-]	REAL300008000241	0	43	-1.0	-55.82	370.54	7.67	-48.15
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C=C1F	REAL300008000242	0	42	-1.0	-52.19	371.38	8.39	-43.80
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000243	0	39	-1.0	-56.42	335.32	5.96	-50.46
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000244	0	39	-1.0	-52.43	346.11	6.57	-45.86
O=C([O-])C1=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)OC=C1	REAL300008000245	0	36	-1.0	-62.70	325.14	6.01	-56.69
O=C([O-])C1(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)CCC1	REAL300008000246	0	39	-1.0	-52.19	322.90	6.87	-45.32
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000247	0	43	-1.0	-66.34	364.96	8.12	-58.22
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000248	0	36	-1.0	-55.45	319.00	4.66	-50.79
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000249	0	39	-1.0	-56.42	335.32	5.96	-50.46
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000250	0	38	-1.0	-50.17	339.12	5.75	-44.42
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000251	0	42	-1.0	-60.55	356.69	8.73	-51.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=C1	REAL300008000252	0	36	-1.0	-47.99	342.57	6.28	-41.71
COC1=CC=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C(C(=O)[O-])=C1	REAL300008000253	0	43	-1.0	-68.88	363.13	7.95	-60.93
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=CC=N1	REAL300008000254	0	38	-1.0	-56.22	339.86	5.81	-50.41
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=NN1	REAL300008000255	0	36	-1.0	-46.43	326.92	3.87	-42.56
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000256	0	39	-1.0	-56.64	342.47	5.14	-51.50
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C1	REAL300008000257	0	39	-1.0	-53.77	333.90	6.72	-47.05
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C1	REAL300008000258	0	42	-1.0	-56.17	349.09	7.27	-48.90
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)S1	REAL300008000259	0	39	-1.0	-51.25	352.98	7.31	-43.94
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000260	0	42	-1.0	-64.73	355.02	8.97	-55.76
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000261	0	39	-1.0	-55.23	339.49	6.96	-48.27
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000262	0	44	-1.0	-57.17	349.16	7.52	-49.65
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=NN1	REAL300008000263	0	36	-1.0	-46.43	326.92	3.87	-42.56
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000264	0	41	-1.0	-60.19	343.49	6.73	-53.46
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000265	0	36	-1.0	-55.45	319.00	4.66	-50.79
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000266	0	39	-1.0	-59.96	323.10	7.36	-52.60
CC1=CC(S(=O)(=O)N2CCC(C3=C(F)C=CC=C3F)C2)=CN=C1C(=O)[O-]	REAL300008000267	0	41	-1.0	-52.94	355.62	6.35	-46.59
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000268	0	42	-1.0	-64.73	355.02	8.97	-55.76
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300008000269	0	38	-1.0	-59.85	331.53	6.98	-52.87
CCC(C)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000270	0	41	-1.0	-50.22	341.81	6.14	-44.08
CC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000271	0	32	-1.0	-52.07	300.88	5.15	-46.92
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008000272	0	33	-1.0	-50.12	290.43	3.64	-46.48
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000273	0	35	-1.0	-58.46	323.84	1.07	-57.39
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008000274	0	33	-1.0	-46.22	309.13	3.34	-42.88
COC1=CC(C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1OC	REAL300008000275	0	40	-1.0	-54.84	338.26	3.72	-51.12
CC1=CC(Cl)=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000276	0	32	-1.0	-49.21	295.44	4.85	-44.36
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008000277	0	45	-1.0	-50.30	364.99	7.36	-42.94
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008000278	0	35	-1.0	-54.75	307.63	2.71	-52.04
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1Br	REAL300008000279	0	29	-1.0	-49.44	279.63	4.29	-45.15
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008000280	0	29	-1.0	-47.04	284.43	4.17	-42.87
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000281	0	34	-1.0	-51.96	296.48	5.91	-46.05
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008000282	0	35	-1.0	-51.30	325.14	5.56	-45.74
CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000283	0	39	-1.0	-56.54	346.43	0.11	-56.43
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000284	0	40	-1.0	-48.33	345.61	5.38	-42.95
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008000285	0	35	-1.0	-51.05	310.59	4.14	-46.91
CCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=N1	REAL300008000286	0	35	-1.0	-51.40	313.90	1.24	-50.16
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000287	0	38	-1.0	-62.14	348.16	1.76	-60.38
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C)=C1C	REAL300008000288	0	39	-1.0	-52.24	325.25	4.45	-47.79
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008000289	0	34	-1.0	-48.40	314.12	4.05	-44.35
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008000290	0	32	-1.0	-49.08	308.21	4.89	-44.19
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008000291	0	34	-1.0	-56.08	305.84	4.01	-52.07
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000292	0	46	-1.0	-60.29	404.80	2.63	-57.66
CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1	REAL300008000293	0	39	-1.0	-56.99	333.85	-0.88	-57.87
CC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008000294	0	38	-1.0	-57.59	336.54	4.86	-52.73
CCN1N=C(C)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1C	REAL300008000295	0	38	-1.0	-47.90	319.15	3.34	-44.56
CC(C)CN1C=NC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000296	0	38	-1.0	-51.81	327.64	4.79	-47.02
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000297	0	41	-1.0	-45.93	311.91	6.03	-39.90
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008000298	0	42	-1.0	-55.97	367.34	6.50	-49.47
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000299	0	37	-1.0	-54.46	331.34	3.03	-51.43
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300008000300	0	35	-1.0	-49.14	330.10	4.69	-44.45
COC1=CC(Cl)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1OC	REAL300008000301	0	37	-1.0	-48.81	319.79	2.71	-46.10
COC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C(OC)C=C1Br	REAL300008000302	0	37	-1.0	-45.22	327.97	3.26	-41.96
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Br	REAL300008000303	0	32	-1.0	-51.87	302.63	4.74	-47.13
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008000304	0	35	-1.0	-50.83	318.51	6.33	-44.50
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008000305	0	34	-1.0	-44.95	316.31	5.78	-39.17
COCCOC1=C(Cl)C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Cl	REAL300008000306	0	40	-1.0	-49.65	384.11	4.28	-45.37
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008000307	0	33	-1.0	-50.27	308.60	3.19	-47.08
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008000308	0	36	-1.0	-47.14	314.55	4.97	-42.17
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000309	0	44	-1.0	-53.73	361.34	5.05	-48.68
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008000310	0	32	-1.0	-50.73	295.31	4.42	-46.31
COCC1=CC=C(OC)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000311	0	40	-1.0	-48.69	333.06	3.01	-45.68
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1CCOC1)CCO2	REAL300008002001	0	41	-1.0	-56.71	325.94	1.06	-55.65
C=CCCS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002002	0	40	-1.0	-55.57	327.52	3.05	-52.52
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CNC=N1)CCO2	REAL300008002003	0	37	-1.0	-55.84	313.83	1.49	-54.35
CC1=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CC=C1[N+](=O)[O-]	REAL300008002004	0	45	-1.0	-54.34	374.36	5.20	-49.14
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCCF)CCO2	REAL300008002005	0	39	-1.0	-58.31	321.30	2.63	-55.68
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCCCF)CCO2	REAL300008002006	0	42	-1.0	-56.99	342.79	3.41	-53.58
CC1=NN(C)C=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002007	0	43	-1.0	-54.74	359.11	2.44	-52.30
CC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)O1	REAL300008002008	0	40	-1.0	-52.31	337.95	2.96	-49.35
CC1=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)N(C)N=C1	REAL300008002009	0	43	-1.0	-51.45	346.30	2.52	-48.93
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN=C3C=CSC3=C1)CCO2	REAL300008002010	0	42	-1.0	-54.23	362.14	3.52	-50.71
CN(C)C1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300008002011	0	48	-1.0	-52.02	384.67	4.52	-47.50
C=C(C)CS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002012	0	40	-1.0	-55.57	325.66	2.95	-52.62
CC1=CC2=CC=C(S(=O)(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)C=C2C=C1	REAL300008002013	0	49	-1.0	-54.52	397.43	6.96	-47.56
COC1=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)SC=C1	REAL300008002014	0	41	-1.0	-51.56	353.90	3.21	-48.35
C=CCCCS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002015	0	43	-1.0	-56.25	349.02	3.83	-52.42
CN(C)C1=CC=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002016	0	48	-1.0	-54.37	381.65	4.42	-49.95
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC1CCC1)CCO2	REAL300008002017	0	43	-1.0	-55.93	341.44	3.80	-52.13
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC3=C1OCC3)CCO2	REAL300008002018	0	45	-1.0	-56.08	368.52	3.94	-52.14
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC1=NOC3=CC=CC=C31)CCO2	REAL300008002019	0	45	-1.0	-58.25	378.77	4.16	-54.09
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=C3CCOC3=C1)CCO2	REAL300008002020	0	45	-1.0	-55.00	365.95	3.86	-51.14
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)CCO2	REAL300008002021	0	46	-1.0	-56.37	391.35	6.03	-50.34
CN1CCCC2=CC=C(S(=O)(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)C=C21	REAL300008002022	0	52	-1.0	-54.58	404.37	4.57	-50.01
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)CCO2	REAL300008002023	0	42	-1.0	-54.81	364.86	3.22	-51.59
COC1=CC=CC(OC)=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002024	0	48	-1.0	-57.99	383.38	4.57	-53.42
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002025	0	48	-1.0	-53.34	389.82	6.08	-47.26
CC1=CC=C(C)C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1[N+](=O)[O-]	REAL300008002026	0	48	-1.0	-54.83	391.12	7.46	-47.37
CC1=CC(C)=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1[N+](=O)[O-]	REAL300008002027	0	48	-1.0	-53.52	394.04	6.14	-47.38
COC1=CC=C(CCS(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300008002028	0	50	-1.0	-57.30	404.13	4.81	-52.49
COC1=CN=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002029	0	43	-1.0	-54.53	354.73	1.46	-53.07
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)S1	REAL300008002030	0	49	-1.0	-49.61	406.58	5.83	-43.78
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=C(C3CC3)C=C1)CCO2	REAL300008002031	0	47	-1.0	-50.82	381.40	6.20	-44.62
COC1=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300008002032	0	48	-1.0	-55.86	389.13	2.63	-53.23
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCC1CCCCC1)CCO2	REAL300008002033	0	52	-1.0	-55.78	395.40	5.69	-50.09
CC1=CC=C(CCS(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300008002034	0	49	-1.0	-56.06	396.03	6.19	-49.87
CC1=CC2=C(C=C1S(=O)(=O)NC1CCOC3(CC(C(=O)[O-])C3)C1)OCO2	REAL300008002035	0	46	-1.0	-53.13	374.95	3.76	-49.37
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=C3OC=CC3=CC=C1)CCO2	REAL300008002036	0	43	-1.0	-53.29	362.18	4.49	-48.80
COC1=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CC=C1Cl	REAL300008002037	0	44	-1.0	-51.46	378.35	4.00	-47.46
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCC1CCCC1)CCO2	REAL300008002038	0	49	-1.0	-55.79	378.91	5.11	-50.68
CN1C=NC2=CC(S(=O)(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)=CC=C21	REAL300008002039	0	46	-1.0	-58.77	378.42	5.37	-53.40
CC1(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300008002040	0	40	-1.0	-48.37	322.58	3.32	-45.05
CC1=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C2=NC=CC=C2C=C1	REAL300008002041	0	48	-1.0	-54.87	383.99	6.03	-48.84
CC1=NC2=CC=C(S(=O)(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)C=C2O1	REAL300008002042	0	45	-1.0	-56.07	373.79	1.69	-54.38
CCC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1CC	REAL300008002043	0	52	-1.0	-53.41	407.20	6.59	-46.82
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002044	0	48	-1.0	-51.73	387.09	6.34	-45.39
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002045	0	50	-1.0	-51.63	394.00	5.89	-45.74
CC1=C(C)SC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002046	0	43	-1.0	-50.91	365.13	4.47	-46.44
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002047	0	41	-1.0	-50.83	356.37	2.06	-48.77
CC1=NC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)S1	REAL300008002048	0	39	-1.0	-50.98	341.61	1.96	-49.02
CCC1=NC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)S1	REAL300008002049	0	42	-1.0	-50.70	363.09	2.72	-47.98
CC1=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(N)=NO1	REAL300008002050	0	41	-1.0	-52.59	336.85	1.45	-51.14
CC1=C(S(=O)(=O)[N-]C2CCOC3(CC(C(=O)[O-])C3)C2)C(N)=NO1	REAL300008002050	1	40	-2.0	-93.82	335.83	1.33	-92.49
CN(C)C1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300008002051	0	47	-1.0	-55.58	380.05	3.83	-51.75
CC1=CC(C)=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)S1	REAL300008002052	0	43	-1.0	-49.75	360.29	4.51	-45.24
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)CCO2	REAL300008002053	0	46	-1.0	-57.24	380.36	5.53	-51.71
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC3=C1OCO3)CCO2	REAL300008002054	0	43	-1.0	-55.18	345.88	2.58	-52.60
CC1=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CC(C)=C1F	REAL300008002055	0	46	-1.0	-51.21	379.20	5.44	-45.77
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=C3OCCC(=O)C3=C1)CCO2	REAL300008002056	0	47	-1.0	-53.72	388.88	3.90	-49.82
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCCOCC1=CC=CC=C1)CCO2	REAL300008002057	0	53	-1.0	-59.55	430.14	5.57	-53.98
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CNC3=CC=CC(F)=C31)CCO2	REAL300008002058	0	44	-1.0	-54.79	372.65	4.26	-50.53
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=C3N=CSC3=CC=C1)CCO2	REAL300008002059	0	42	-1.0	-53.46	365.48	3.60	-49.86
CC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300008002060	0	42	-1.0	-55.04	346.75	2.81	-52.23
CC1=NC(CS(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CS1	REAL300008002061	0	42	-1.0	-55.67	362.01	2.50	-53.17
COC(CS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CC1	REAL300008002062	0	47	-1.0	-52.32	373.86	3.44	-48.88
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)CCO2	REAL300008002063	0	43	-1.0	-57.07	369.85	5.24	-51.83
CC1=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CC=C1Cl	REAL300008002064	0	43	-1.0	-49.53	368.31	5.24	-44.29
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=C3CCC(=O)C3=C1)CCO2	REAL300008002065	0	46	-1.0	-58.60	378.24	5.01	-53.59
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC3=C1OCCC3)CCO2	REAL300008002066	0	48	-1.0	-56.32	384.38	5.35	-50.97
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC3=C1OCCCO3)CCO2	REAL300008002067	0	49	-1.0	-54.11	393.84	4.49	-49.62
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)CCO2	REAL300008002068	0	43	-1.0	-52.50	375.30	5.35	-47.15
CCC1(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300008002069	0	43	-1.0	-47.71	332.71	3.90	-43.81
CCC(C)OC1=CC=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002070	0	53	-1.0	-54.19	420.17	5.68	-48.51
COC(CS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CCCC1	REAL300008002071	0	53	-1.0	-55.80	403.29	4.12	-51.68
COC(CS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CCCCC1	REAL300008002072	0	56	-1.0	-55.93	421.04	5.05	-50.88
CC1(C)CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CO1	REAL300008002073	0	47	-1.0	-54.91	367.10	2.54	-52.37
CCOC(CS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CC1	REAL300008002074	0	50	-1.0	-51.84	396.13	4.60	-47.24
CCC1=NC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CN1CC1CC1	REAL300008002075	0	53	-1.0	-54.10	430.51	6.34	-47.76
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN=C(C3CC3)S1)CCO2	REAL300008002076	0	43	-1.0	-53.18	369.73	3.56	-49.62
CC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C)=C1[N+](=O)[O-]	REAL300008002077	0	48	-1.0	-54.34	397.54	6.62	-47.72
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002078	0	47	-1.0	-52.21	373.28	3.80	-48.41
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002079	0	43	-1.0	-52.88	374.16	2.84	-50.04
CCC1=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C(C)C=C1OC	REAL300008002080	0	53	-1.0	-56.13	420.21	5.84	-50.29
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCOC3(CC(C(=O)[O-])C3)C2)=N1	REAL300008002081	0	41	-2.0	-112.14	354.04	2.92	-109.22
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=N1	REAL300008002081	1	42	-1.0	-56.21	360.09	3.12	-53.09
CC1=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C2=CC=CC=C2C=C1	REAL300008002082	0	49	-1.0	-51.50	382.89	7.22	-44.28
CC(C)OC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300008002083	0	49	-1.0	-51.46	402.06	2.69	-48.77
COC1=C(F)C=CC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002084	0	44	-1.0	-52.56	366.38	4.14	-48.42
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1F	REAL300008002085	0	52	-1.0	-51.11	411.03	6.40	-44.71
CN1N=C2CCCCC2=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002086	0	50	-1.0	-52.09	390.16	4.16	-47.93
CN1C=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C(C)(C)C)=N1	REAL300008002087	0	52	-1.0	-53.41	405.11	4.49	-48.92
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN(C3CCCC3)N=C1)CCO2	REAL300008002088	0	50	-1.0	-53.47	397.71	4.34	-49.13
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002089	0	43	-1.0	-50.87	365.80	2.95	-47.92
COC1=CC=C(F)C=C1CS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002090	0	47	-1.0	-54.08	390.00	4.26	-49.82
C=CCCC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300008002091	0	50	-1.0	-50.55	409.37	6.88	-43.67
CCC1=NN(C)C=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002092	0	46	-1.0	-53.78	374.55	3.19	-50.59
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)CCO2	REAL300008002093	0	44	-1.0	-54.60	379.49	5.77	-48.83
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002094	0	46	-1.0	-49.77	375.94	6.22	-43.55
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCCC1CC1)CCO2	REAL300008002095	0	46	-1.0	-56.03	367.82	4.83	-51.20
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)CCO2	REAL300008002096	0	44	-1.0	-55.33	377.00	5.68	-49.65
CCCC1=CC=CC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002097	0	49	-1.0	-49.17	387.09	6.73	-42.44
COC1=NC=CC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002098	0	43	-1.0	-55.20	338.06	1.01	-54.19
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC3=CC=NC=C31)CCO2	REAL300008002099	0	45	-1.0	-53.39	370.43	4.74	-48.65
CC1=NC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)N1C	REAL300008002100	0	43	-1.0	-54.58	352.83	3.21	-51.37
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC=N1)CCO2	REAL300008002101	0	39	-1.0	-52.35	329.80	2.30	-50.05
CC1=CSC(C)=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002102	0	43	-1.0	-49.29	351.79	4.68	-44.61
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN(C3CCC3)N=C1)CCO2	REAL300008002103	0	47	-1.0	-55.82	380.14	3.68	-52.14
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=NN1C1CCC1)CCO2	REAL300008002104	0	47	-1.0	-52.55	372.96	3.69	-48.86
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=NN1CC1CCC1)CCO2	REAL300008002105	0	50	-1.0	-51.64	402.78	4.80	-46.84
CC1(C)COC2=C(S(=O)(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)C=NN2C1	REAL300008002106	0	51	-1.0	-49.78	398.65	2.18	-47.60
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN=C3CCCCN13)CCO2	REAL300008002107	0	47	-1.0	-52.42	371.74	4.05	-48.37
CC1CC2=CC=CC(S(=O)(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)=C2O1	REAL300008002108	0	48	-1.0	-52.03	391.71	4.77	-47.26
CC(C)(C)C1=NC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)S1	REAL300008002109	0	48	-1.0	-49.93	402.41	3.84	-46.09
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002110	0	45	-1.0	-57.50	374.67	3.69	-53.81
CCN1N=NC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002111	0	42	-1.0	-54.54	346.97	1.26	-53.28
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)N1C[C@@H]3CCC[C@@H]3C1)CCO2	REAL300008002112	0	49	-1.0	-48.11	377.29	4.05	-44.06
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC3=NON=C3C=C1)CCO2	REAL300008002113	0	41	-1.0	-54.10	345.00	2.81	-51.29
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC3=CC=CC=C3S1)CCO2	REAL300008002114	0	43	-1.0	-55.39	368.77	5.47	-49.92
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002115	0	47	-1.0	-53.21	382.17	3.71	-49.50
CC1=CC(C)=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C)=C1F	REAL300008002116	0	49	-1.0	-50.19	387.39	6.46	-43.73
COC1=CC=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1OC	REAL300008002117	0	48	-1.0	-54.04	389.37	3.94	-50.10
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=COC3=CC=CC=C31)CCO2	REAL300008002118	0	43	-1.0	-53.11	364.01	4.47	-48.64
CN1C=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C2CCCC2)=N1	REAL300008002119	0	53	-1.0	-55.67	423.30	5.04	-50.63
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002120	0	52	-1.0	-52.20	408.84	4.61	-47.59
CCCCN1C=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C)=N1	REAL300008002121	0	52	-1.0	-54.99	423.64	4.84	-50.15
CN1C=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C2CC2)=N1	REAL300008002122	0	47	-1.0	-54.46	389.55	4.10	-50.36
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)CCO2	REAL300008002123	0	44	-1.0	-54.44	371.41	3.68	-50.76
CN1N=NC2=C(S(=O)(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)C=CC=C21	REAL300008002124	0	45	-1.0	-60.74	376.81	2.51	-58.23
CC1(C)CCCN(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300008002125	0	51	-1.0	-54.04	385.94	4.65	-49.39
CN1C=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C2CCC2)=N1	REAL300008002126	0	50	-1.0	-54.49	404.24	4.45	-50.04
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN(CC3CCC3)N=C1)CCO2	REAL300008002127	0	50	-1.0	-54.24	404.20	4.64	-49.60
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=C(C3CC3)C=CS1)CCO2	REAL300008002128	0	44	-1.0	-50.35	370.77	5.10	-45.25
CCCC1=CC=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002129	0	49	-1.0	-49.42	397.24	6.36	-43.06
CN1N=C2CCCC2=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002130	0	47	-1.0	-53.07	376.87	3.58	-49.49
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)N1C[C@@H]3CC[C@@H]3C1)CCO2	REAL300008002131	0	46	-1.0	-48.33	359.76	3.60	-44.73
CC1=CC=CC(C)=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002132	0	46	-1.0	-52.50	357.93	5.66	-46.84
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002133	0	49	-1.0	-52.84	373.84	3.64	-49.20
CC(C)(C)N1C=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300008002134	0	49	-1.0	-54.00	394.72	3.71	-50.29
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CNN=C1C1CCC1)CCO2	REAL300008002135	0	47	-1.0	-55.07	383.83	3.21	-51.86
CC1=NN(C)C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002136	0	43	-1.0	-52.10	354.75	2.45	-49.65
CC1=CC=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1C	REAL300008002137	0	46	-1.0	-55.77	367.25	5.65	-50.12
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002138	0	51	-1.0	-53.89	417.41	6.18	-47.71
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC3=CC=CC=C3CCC1)CCO2	REAL300008002139	0	51	-1.0	-50.56	402.75	7.26	-43.30
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)N1CC3=CC=CC=C3C1)CCO2	REAL300008002140	0	46	-1.0	-51.06	373.27	4.52	-46.54
CN(C1CCC1)S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002141	0	45	-1.0	-47.86	351.38	3.21	-44.65
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC1=NOC3=C1COCC3)CCO2	REAL300008002142	0	47	-1.0	-62.54	382.42	2.36	-60.18
O=C([O-])C1CC2(C1)CC(NC(=O)N1CCC(F)(F)CC1)CCO2	REAL300008002143	0	44	-1.0	-51.38	343.73	6.35	-45.03
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)CCO2	REAL300008002144	0	40	-1.0	-53.31	349.52	4.42	-48.89
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC(C3CC3)=C1)CCO2	REAL300008002145	0	47	-1.0	-53.43	379.36	6.13	-47.30
COC1=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=CS1	REAL300008002146	0	41	-1.0	-54.05	338.13	2.56	-51.49
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=NN1C1CCCC1)CCO2	REAL300008002147	0	50	-1.0	-52.50	389.99	4.41	-48.09
CCC(C)N1N=CC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002148	0	49	-1.0	-52.20	392.87	4.02	-48.18
CN(C(C)(C)C)S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002149	0	47	-1.0	-53.46	354.03	3.44	-50.02
CCC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)O1	REAL300008002150	0	43	-1.0	-50.90	360.15	3.79	-47.11
CN(C1CCCCCC1)S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002151	0	54	-1.0	-49.15	401.42	5.01	-44.14
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002152	0	46	-1.0	-53.75	383.36	5.55	-48.20
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)CCO2	REAL300008002153	0	44	-1.0	-55.20	369.40	3.60	-51.60
COC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)S1	REAL300008002154	0	41	-1.0	-50.04	357.31	2.62	-47.42
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN(CCF)N=C1)CCO2	REAL300008002155	0	43	-1.0	-52.48	366.26	2.86	-49.62
CCOCC1=CC=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002156	0	50	-1.0	-55.03	407.07	4.71	-50.32
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN(C3CCCCC3)N=C1)CCO2	REAL300008002157	0	53	-1.0	-53.20	420.06	5.10	-48.10
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC=C1CF)CCO2	REAL300008002158	0	43	-1.0	-51.05	354.24	5.25	-45.80
CC1=CN=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002159	0	42	-1.0	-54.61	346.60	2.84	-51.77
CC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C2=CC=CC=C12	REAL300008002160	0	49	-1.0	-56.56	393.07	7.04	-49.52
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)N1CC3CC1C3)CCO2	REAL300008002161	0	43	-1.0	-49.93	345.34	3.05	-46.88
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)CCO2	REAL300008002162	0	44	-1.0	-55.28	369.17	5.32	-49.96
CCOCCCS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002163	0	46	-1.0	-57.83	370.24	2.53	-55.30
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCC1NC(=O)NC1=O)CCO2	REAL300008002164	0	45	-1.0	-56.61	376.21	-1.96	-58.57
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN=C3C=CC=CN13)CCO2	REAL300008002165	0	43	-1.0	-57.84	355.72	4.35	-53.49
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1CCC(F)(F)CC1)CCO2	REAL300008002166	0	46	-1.0	-52.90	368.65	4.61	-48.29
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=C3SC=NC3=C1)CCO2	REAL300008002167	0	42	-1.0	-55.16	361.09	3.42	-51.74
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCOC1CCOC1)CCO2	REAL300008002168	0	48	-1.0	-56.13	384.16	1.20	-54.93
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC1COCCO1)CCO2	REAL300008002169	0	45	-1.0	-59.56	358.16	1.21	-58.35
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC13CC4CC(CC(C4)C1)C3)CCO2	REAL300008002170	0	57	-1.0	-56.17	406.04	6.89	-49.28
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CCN1C=NN=N1)CCO2	REAL300008002171	0	41	-1.0	-63.41	344.15	1.89	-61.52
CC1(C)COC(CS(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300008002172	0	50	-1.0	-58.21	389.50	3.51	-54.70
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC1CS(=O)(=O)C1)CCO2	REAL300008002173	0	43	-1.0	-65.15	360.35	-0.31	-65.46
CC(C)(CS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C(C)(F)F	REAL300008002174	0	48	-1.0	-54.23	368.36	4.47	-49.76
CS(=O)(=O)CCCCS(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002175	0	48	-1.0	-66.32	399.84	0.82	-65.50
CC1(C)CCC(CS(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)OC1	REAL300008002176	0	53	-1.0	-58.22	404.09	4.15	-54.07
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)CCO2	REAL300008002177	0	50	-1.0	-56.25	399.66	6.31	-49.94
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC1=CC=CC3=NSN=C31)CCO2	REAL300008002178	0	44	-1.0	-55.68	380.35	3.19	-52.49
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)CC1C[C@@H]3COC[C@@H]3O1)CCO2	REAL300008002179	0	49	-1.0	-62.66	383.12	2.00	-60.66
COCCC1(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300008002180	0	47	-1.0	-57.46	376.25	3.22	-54.24
CCN1N=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=N1	REAL300008002181	0	42	-1.0	-53.82	353.71	0.99	-52.83
CCN1N=CC(S(=O)(=O)[N-]C2CCOC3(CC(C(=O)[O-])C3)C2)=N1	REAL300008002181	1	41	-2.0	-98.90	347.66	0.79	-98.11
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C[C@@H]1C[C@@H]3CCCC[C@H]13)CCO2	REAL300008002182	0	53	-1.0	-50.87	399.20	6.11	-44.76
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=C(C3CC3)S1)CCO2	REAL300008002183	0	44	-1.0	-49.88	377.36	5.50	-44.38
COC1=CC=C(C=C(C)S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300008002184	0	51	-1.0	-52.00	406.44	5.16	-46.84
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002185	0	45	-1.0	-58.03	355.06	0.82	-57.21
CC1=COC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002186	0	40	-1.0	-52.56	337.58	2.81	-49.75
CC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)O1	REAL300008002187	0	40	-1.0	-52.31	337.95	2.96	-49.35
CCC1=NNC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002188	0	43	-1.0	-54.43	347.57	1.78	-52.65
COC1=CSC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1OC	REAL300008002189	0	45	-1.0	-50.75	384.01	2.07	-48.68
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)N1C[C@@H]3CCCC[C@@H]3C1)CCO2	REAL300008002190	0	52	-1.0	-52.92	385.90	4.51	-48.41
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002191	0	51	-1.0	-50.98	411.56	5.97	-45.01
COC1=CC(F)=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(F)=C1	REAL300008002192	0	44	-1.0	-54.94	367.79	3.59	-51.35
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCOC3(CC(C(=O)[O-])C3)C2)C(F)=C1	REAL300008002192	1	43	-2.0	-105.13	365.65	3.54	-101.59
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002193	0	46	-1.0	-54.20	374.61	3.91	-50.29
CN1C=CC2=CC(S(=O)(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)=CC=C21	REAL300008002194	0	47	-1.0	-56.26	383.85	5.79	-50.47
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002195	0	46	-1.0	-51.35	370.90	6.16	-45.19
C=C(C)COC1=CC=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002196	0	51	-1.0	-54.62	413.82	5.65	-48.97
CCN1C=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C2CC2)=N1	REAL300008002197	0	50	-1.0	-54.51	408.91	4.88	-49.63
CC1=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C2=NSN=C2C=C1	REAL300008002198	0	44	-1.0	-60.14	369.17	3.43	-56.71
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002199	0	53	-1.0	-52.06	417.67	5.25	-46.81
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=C(Cl)OC=C1)CCO2	REAL300008002200	0	37	-1.0	-51.24	332.25	2.64	-48.60
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC(Cl)=CS1)CCO2	REAL300008002201	0	37	-1.0	-52.22	338.81	3.55	-48.67
CN1N=C2CCOCC2=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002202	0	48	-1.0	-54.07	381.66	1.78	-52.29
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=CC=C1C1CC1)CCO2	REAL300008002203	0	47	-1.0	-54.59	375.35	6.28	-48.31
CC1(C)CCN(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300008002204	0	51	-1.0	-53.35	385.00	4.33	-49.02
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002205	0	43	-1.0	-52.31	354.83	1.50	-50.81
COC1=NC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1C	REAL300008002206	0	46	-1.0	-53.08	377.47	1.44	-51.64
CC(C)CN1C=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300008002207	0	49	-1.0	-56.26	393.19	4.15	-52.11
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002208	0	49	-1.0	-53.81	399.49	3.85	-49.96
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)N1CCN(CC(F)F)CC1)CCO2	REAL300008002209	0	50	-1.0	-47.56	395.32	1.89	-45.67
COCC1=CC(CS(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=NO1	REAL300008002210	0	46	-1.0	-58.30	386.01	1.99	-56.31
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)N=C1	REAL300008002211	0	51	-1.0	-51.40	407.23	4.52	-46.88
CC(C)N1N=CC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002212	0	46	-1.0	-53.07	373.37	3.25	-49.82
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=NN1CC1CC1)CCO2	REAL300008002213	0	47	-1.0	-53.11	379.60	4.14	-48.97
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)CCO2	REAL300008002214	0	47	-1.0	-55.15	384.79	5.45	-49.70
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)CCO2	REAL300008002215	0	42	-1.0	-51.26	363.03	3.05	-48.21
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)N1CCC3=CC=CN=C31)CCO2	REAL300008002216	0	45	-1.0	-57.72	364.55	4.48	-53.24
CC1=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=NN1C(C)C	REAL300008002217	0	49	-1.0	-53.52	397.44	3.98	-49.54
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=NC=CC3=CC=CC=C31)CCO2	REAL300008002218	0	45	-1.0	-55.34	369.96	4.65	-50.69
CC1=CN=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C)=C1	REAL300008002219	0	45	-1.0	-52.17	366.54	3.79	-48.38
CC1=CN=CC=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002220	0	42	-1.0	-51.49	344.80	3.28	-48.21
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002221	0	48	-1.0	-58.23	388.81	-0.09	-58.32
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)N1CC3CCC(C1)O3)CCO2	REAL300008002222	0	47	-1.0	-48.93	347.81	1.59	-47.34
N#CC1CCN(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300008002223	0	46	-1.0	-51.48	371.48	3.58	-47.90
COC1=CC=NC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002224	0	43	-1.0	-52.68	358.40	1.57	-51.11
C=CCN(CC=C)S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002225	0	46	-1.0	-49.43	377.51	4.20	-45.23
COC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)N=C1	REAL300008002226	0	43	-1.0	-50.98	360.26	1.50	-49.48
CC1=CC=CN=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002227	0	42	-1.0	-51.85	339.63	2.94	-48.91
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC=NC3=CC=CC=C31)CCO2	REAL300008002228	0	45	-1.0	-54.23	370.85	4.62	-49.61
CCOC1=CC=CN=C1S(=O)(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300008002229	0	46	-1.0	-53.06	376.01	3.45	-49.61
CC1=CC=C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C2=NC=CC=C12	REAL300008002230	0	48	-1.0	-58.53	390.09	5.30	-53.23
CC1=CC(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CC=N1	REAL300008002231	0	42	-1.0	-51.58	349.74	2.98	-48.60
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CNC3=CC=CC=C31)CCO2	REAL300008002232	0	44	-1.0	-53.44	367.90	4.15	-49.29
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)N1CCC(F)(F)C1)CCO2	REAL300008002233	0	42	-1.0	-55.53	346.50	2.67	-52.86
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CN=CS1)CCO2	REAL300008002234	0	36	-1.0	-50.09	320.36	1.30	-48.79
O=C([O-])C1CC2(C1)CC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)CCO2	REAL300008002235	0	42	-1.0	-51.03	361.16	3.12	-47.91
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300008002236	0	53	-1.0	-55.41	421.39	6.10	-49.31
CCC(C)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002237	0	37	-1.0	-45.66	321.04	4.92	-40.74
CC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002238	0	28	-1.0	-46.22	278.35	3.85	-42.37
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008002239	0	29	-1.0	-48.83	279.83	2.67	-46.16
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002240	0	31	-1.0	-53.89	303.05	-0.15	-54.04
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008002241	0	29	-1.0	-43.68	288.34	2.12	-41.56
COC1=CC(C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1OC	REAL300008002242	0	36	-1.0	-48.53	317.02	2.32	-46.21
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008002243	0	41	-1.0	-45.27	344.23	6.13	-39.14
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008002244	0	31	-1.0	-48.96	286.85	1.49	-47.47
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC=C1Br	REAL300008002245	0	25	-1.0	-46.21	259.21	3.08	-43.13
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008002246	0	25	-1.0	-44.22	264.05	2.96	-41.26
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002247	0	30	-1.0	-50.77	276.12	4.70	-46.07
O=C([O-])[C@@H](F)CNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008002248	0	31	-1.0	-47.26	304.74	4.36	-42.90
CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002249	0	35	-1.0	-55.68	325.62	-1.10	-56.78
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002250	0	36	-1.0	-46.22	325.38	4.18	-42.04
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008002251	0	31	-1.0	-46.83	288.08	2.84	-43.99
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002252	0	34	-1.0	-57.76	327.38	0.53	-57.23
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C)=C1C	REAL300008002253	0	35	-1.0	-46.76	302.73	3.16	-43.60
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008002254	0	30	-1.0	-46.60	293.84	2.83	-43.77
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008002255	0	28	-1.0	-47.27	287.41	3.68	-43.59
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002256	0	42	-1.0	-52.84	380.37	1.51	-51.33
CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H](F)C(=O)[O-])CC1	REAL300008002257	0	35	-1.0	-54.39	313.04	-2.09	-56.48
CC1=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008002258	0	34	-1.0	-51.29	316.10	3.68	-47.61
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002259	0	37	-1.0	-46.54	295.25	4.85	-41.69
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008002260	0	38	-1.0	-51.84	346.95	5.29	-46.55
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002261	0	33	-1.0	-59.88	308.87	1.75	-58.13
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300008002262	0	31	-1.0	-45.25	309.38	3.47	-41.78
COC1=CC(Cl)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1OC	REAL300008002263	0	33	-1.0	-47.00	303.10	1.60	-45.40
COC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C(OC)C=C1Br	REAL300008002264	0	33	-1.0	-45.26	312.75	2.13	-43.13
CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Br	REAL300008002265	0	28	-1.0	-46.45	281.86	3.53	-42.92
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008002266	0	31	-1.0	-45.96	298.13	5.12	-40.84
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008002267	0	30	-1.0	-43.38	295.91	4.57	-38.81
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008002267	1	29	-2.0	-101.12	294.63	4.26	-96.86
COCCOC1=C(Cl)C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Cl	REAL300008002268	0	36	-1.0	-45.20	363.74	3.07	-42.13
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008002269	0	29	-1.0	-46.59	287.84	1.98	-44.61
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008002270	0	32	-1.0	-47.68	300.04	4.02	-43.66
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002271	0	40	-1.0	-48.32	335.17	3.34	-44.98
COCC1=CC=C(OC)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002272	0	36	-1.0	-48.68	317.95	1.89	-46.79
COC1=CC(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)=CC=C1C(=O)[O-]	REAL300008004001	0	40	-1.0	-57.78	356.48	6.22	-51.56
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)C=C1F	REAL300008004002	0	39	-1.0	-54.09	356.79	6.96	-47.13
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004003	0	36	-1.0	-56.27	321.00	4.52	-51.75
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)=C1	REAL300008004004	0	36	-1.0	-52.69	331.92	5.12	-47.57
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)OC=C1	REAL300008004005	0	33	-1.0	-61.70	307.67	4.91	-56.79
O=C([O-])C1(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)CCC1	REAL300008004006	0	36	-1.0	-52.54	309.09	5.49	-47.05
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)=C1	REAL300008004007	0	40	-1.0	-63.19	351.01	6.69	-56.50
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004008	0	33	-1.0	-50.72	305.02	3.21	-47.51
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004009	0	36	-1.0	-56.27	321.00	4.52	-51.75
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)=C1	REAL300008004010	0	35	-1.0	-48.50	325.14	4.30	-44.20
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004011	0	39	-1.0	-54.70	342.75	7.30	-47.40
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)=C1	REAL300008004012	0	33	-1.0	-48.67	328.60	4.83	-43.84
COC1=CC=C(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)C(C(=O)[O-])=C1	REAL300008004013	0	40	-1.0	-64.72	350.93	6.72	-58.00
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)=CC=N1	REAL300008004014	0	35	-1.0	-61.52	325.27	4.38	-57.14
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)=NN1	REAL300008004015	0	33	-1.0	-47.73	312.85	2.40	-45.33
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004016	0	36	-1.0	-57.77	329.46	3.94	-53.83
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)C1	REAL300008004017	0	36	-1.0	-52.32	319.04	5.33	-46.99
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)C1	REAL300008004018	0	39	-1.0	-54.98	331.80	5.73	-49.25
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)S1	REAL300008004019	0	36	-1.0	-55.04	339.29	5.85	-49.19
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004020	0	39	-1.0	-57.58	336.07	7.11	-50.47
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004021	0	36	-1.0	-57.20	325.36	5.51	-51.69
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004022	0	41	-1.0	-55.62	333.04	5.91	-49.71
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)=NN1	REAL300008004023	0	33	-1.0	-47.73	312.85	2.40	-45.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004024	0	38	-1.0	-58.66	329.97	5.18	-53.48
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004025	0	33	-1.0	-50.72	305.02	3.21	-47.51
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004026	0	36	-1.0	-57.60	309.11	5.91	-51.69
CC1=CC(S(=O)(=O)N2CCC3(CC(F)(F)C3(F)F)C2)=CN=C1C(=O)[O-]	REAL300008004027	0	38	-1.0	-54.29	341.59	4.90	-49.39
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004028	0	39	-1.0	-57.58	336.07	7.11	-50.47
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC2(CC(F)(F)C2(F)F)C1	REAL300008004029	0	35	-1.0	-61.95	316.29	5.54	-56.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004030	0	39	-1.0	-54.64	323.42	6.30	-48.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004031	0	40	-1.0	-54.76	329.18	5.22	-49.54
CC1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1C(=O)[O-]	REAL300008004032	0	39	-1.0	-53.07	330.79	6.12	-46.95
O=C([O-])C1=C(S(=O)(=O)NCC2CC3CC3C2)C=CS1	REAL300008004033	0	33	-1.0	-45.93	293.91	5.26	-40.67
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CC3C2)S1	REAL300008004034	0	33	-1.0	-46.66	302.96	4.61	-42.05
O=C([O-])C1CCCN(S(=O)(=O)NCC2CC3CC3C2)C1	REAL300008004035	0	41	-1.0	-47.62	326.12	4.51	-43.11
O=C([O-])C1CCN(S(=O)(=O)NCC2CC3CC3C2)CC1	REAL300008004036	0	41	-1.0	-50.69	327.48	4.63	-46.06
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004037	0	36	-1.0	-43.20	314.82	6.80	-36.40
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CC3CC3C2)C=C1	REAL300008004038	0	39	-1.0	-57.71	334.49	6.20	-51.51
O=C([O-])C1CCN(S(=O)(=O)NCC2CC3CC3C2)CC1	REAL300008004039	0	41	-1.0	-50.69	327.48	4.63	-46.06
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004040	0	39	-1.0	-59.26	334.49	6.19	-53.07
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1	REAL300008004041	0	40	-1.0	-47.96	341.51	5.77	-42.19
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004042	0	40	-1.0	-44.67	347.78	6.37	-38.30
O=C([O-])C1=CSC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004043	0	33	-1.0	-48.97	301.97	4.42	-44.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC3CC3C2)=C1C	REAL300008004044	0	42	-1.0	-55.87	340.38	6.84	-49.03
CC1=CC=CC(S(=O)(=O)NCC2CC3CC3C2)=C1C(=O)[O-]	REAL300008004045	0	39	-1.0	-53.62	325.44	6.45	-47.17
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004046	0	43	-1.0	-53.49	365.51	5.19	-48.30
O=C([O-])C1=CC(S(=O)(=O)NCC2CC3CC3C2)=CS1	REAL300008004047	0	33	-1.0	-50.66	300.44	4.42	-46.24
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004048	0	39	-1.0	-41.69	336.79	7.28	-34.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004049	0	39	-1.0	-47.95	320.46	6.14	-41.81
O=C([O-])C1=C(S(=O)(=O)NCC2CC3CC3C2)C2=CC=CC=C2S1	REAL300008004050	0	39	-1.0	-51.52	338.23	7.80	-43.72
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1	REAL300008004051	0	39	-1.0	-48.26	332.61	6.27	-41.99
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC3CC3C2)C=C1[N+](=O)[O-]	REAL300008004052	0	41	-1.0	-41.64	348.68	6.51	-35.13
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004053	0	39	-1.0	-51.27	330.95	6.17	-45.10
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004054	0	32	-1.0	-50.54	287.95	3.72	-46.82
O=C([O-])C1=C(S(=O)(=O)NCC2CC3CC3C2)SC=N1	REAL300008004055	0	32	-1.0	-53.85	290.36	3.11	-50.74
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004056	0	36	-1.0	-47.05	327.17	5.99	-41.06
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004057	0	36	-1.0	-47.05	331.73	6.10	-40.95
COC1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1C(=O)[O-]	REAL300008004058	0	40	-1.0	-57.27	337.99	5.54	-51.73
CC1=CC(S(=O)(=O)NCC2CC3CC3C2)=CC=C1C(=O)[O-]	REAL300008004059	0	39	-1.0	-47.43	324.79	5.94	-41.49
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCC3CC4CC4C3)C=CC=C21	REAL300008004060	0	41	-1.0	-51.85	341.52	5.82	-46.03
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004061	0	43	-1.0	-53.49	365.51	5.19	-48.30
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004062	0	36	-1.0	-47.05	327.17	5.99	-41.06
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004063	0	36	-1.0	-49.07	311.00	6.08	-42.99
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004064	0	39	-1.0	-49.38	339.16	6.82	-42.56
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3CC4CC4C3)C=C21	REAL300008004065	0	42	-1.0	-50.81	357.38	6.82	-43.99
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CC3CC3C2)C=C1	REAL300008004066	0	39	-1.0	-57.71	334.49	6.20	-51.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004067	0	40	-1.0	-54.76	329.18	5.22	-49.54
CC1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1C(=O)[O-]	REAL300008004068	0	39	-1.0	-53.07	330.79	6.12	-46.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004069	0	39	-1.0	-54.64	323.42	6.30	-48.34
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004070	0	40	-1.0	-44.81	343.05	5.43	-39.38
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004071	0	39	-1.0	-51.27	330.95	6.17	-45.10
COC1=C(S(=O)(=O)NCC2CC3CC3C2)SC(C(=O)[O-])=C1	REAL300008004072	0	37	-1.0	-46.53	328.92	3.77	-42.76
CC1=C(Br)C=C(S(=O)(=O)NCC2CC3CC3C2)C=C1C(=O)[O-]	REAL300008004073	0	39	-1.0	-46.93	348.28	6.64	-40.29
O=C([O-])C1CC2=CC(S(=O)(=O)NCC3CC4CC4C3)=CC=C2O1	REAL300008004074	0	41	-1.0	-48.63	345.60	6.06	-42.57
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1C(F)(F)F	REAL300008004075	0	39	-1.0	-46.87	338.90	6.21	-40.66
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCC3CC4CC4C3)C=C2)CC1	REAL300008004076	0	43	-1.0	-52.51	356.57	7.37	-45.14
CCC1=C(S(=O)(=O)NCC2CC3CC3C2)C=C(C(=O)[O-])O1	REAL300008004077	0	39	-1.0	-51.74	333.13	5.32	-46.42
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004078	0	38	-1.0	-43.33	328.19	7.02	-36.31
O=C([O-])C1=CC2=CC(S(=O)(=O)NCC3CC4CC4C3)=CC=C2S1	REAL300008004079	0	39	-1.0	-50.97	348.31	6.98	-43.99
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004080	0	38	-1.0	-38.42	328.09	7.01	-31.41
CC1=NC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1C(=O)[O-]	REAL300008004081	0	38	-1.0	-45.16	320.22	4.11	-41.05
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004082	0	40	-1.0	-47.83	329.20	5.22	-42.61
COC1=CC(S(=O)(=O)NCC2CC3CC3C2)=CC=C1C(=O)[O-]	REAL300008004083	0	40	-1.0	-53.25	336.05	5.47	-47.78
COC1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C(CC(=O)[O-])=C1	REAL300008004084	0	43	-1.0	-56.93	350.60	5.92	-51.01
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1F	REAL300008004085	0	39	-1.0	-50.23	338.32	6.31	-43.92
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004086	0	39	-1.0	-45.89	349.49	6.48	-39.41
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1	REAL300008004087	0	45	-1.0	-49.35	363.60	7.13	-42.22
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3CC4CC4C3)C=CC=C12	REAL300008004088	0	42	-1.0	-50.09	346.96	7.69	-42.40
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004089	0	36	-1.0	-43.08	319.39	6.90	-36.18
O=C([O-])C1=CC(S(=O)(=O)NCC2CC3CC3C2)=CC=C1Cl	REAL300008004090	0	36	-1.0	-49.44	321.29	5.79	-43.65
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004091	0	40	-1.0	-47.94	327.48	5.59	-42.35
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC2CC3CC3C2)=C1OC	REAL300008004092	0	48	-1.0	-49.46	399.14	6.61	-42.85
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1C(=O)[O-]	REAL300008004093	0	38	-2.0	-134.03	337.58	6.45	-127.58
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004094	0	43	-1.0	-52.77	355.21	5.53	-47.24
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1CC2CC2C1	REAL300008004095	0	39	-1.0	-55.49	324.44	6.63	-48.86
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004096	0	33	-1.0	-45.19	308.45	4.05	-41.14
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3CC3C2)=C1	REAL300008004096	1	32	-2.0	-95.33	306.21	3.67	-91.66
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C2=CC=CC=C12	REAL300008004097	0	42	-1.0	-50.19	346.62	7.71	-42.48
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004098	0	43	-1.0	-54.28	348.89	6.06	-48.22
COC1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C(C(=O)[O-])=C1	REAL300008004099	0	40	-1.0	-50.27	327.54	5.58	-44.69
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC3CC4CC4C3)C=C2C=C1	REAL300008004100	0	42	-1.0	-51.56	356.61	7.73	-43.83
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC3CC3C2)S1	REAL300008004101	0	36	-1.0	-48.81	320.78	5.16	-43.65
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004102	0	42	-1.0	-52.45	343.83	8.55	-43.90
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC2CC3CC3C2)=C1	REAL300008004103	0	39	-1.0	-45.19	333.60	6.99	-38.20
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004104	0	39	-1.0	-56.13	321.21	6.58	-49.55
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC1CC3CC3C1)=C2	REAL300008004105	0	36	-1.0	-47.89	340.43	6.06	-41.83
O=C([O-])C1=NC(S(=O)(=O)NCC2CC3CC3C2)=C2C=CC=CN21	REAL300008004106	0	39	-1.0	-65.59	335.12	4.03	-61.56
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC3CC4CC4C3)=C2C=C1	REAL300008004107	0	39	-1.0	-44.14	335.36	6.64	-37.50
O=C([O-])C1CCCCN1S(=O)(=O)NCC1CC2CC2C1	REAL300008004108	0	41	-1.0	-49.76	317.46	5.55	-44.21
O=C([O-])C1=C(S(=O)(=O)NCC2CC3CC3C2)C=C(Cl)S1	REAL300008004109	0	33	-1.0	-40.89	310.86	5.88	-35.01
CC1=CC(S(=O)(=O)NCC2CC3CC3C2)=CN=C1C(=O)[O-]	REAL300008004110	0	38	-1.0	-50.79	323.38	4.23	-46.56
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CC2CC2C1	REAL300008004111	0	39	-1.0	-56.13	321.21	6.58	-49.55
CCOC1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1C(=O)[O-]	REAL300008004112	0	43	-1.0	-58.42	357.92	6.37	-52.05
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3CC4CC4C3)C=C2C1	REAL300008004113	0	43	-1.0	-51.93	356.15	7.38	-44.55
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC3CC4CC4C3)C=C2C=C1	REAL300008004114	0	41	-1.0	-54.63	352.44	5.87	-48.76
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1	REAL300008004115	0	40	-1.0	-50.28	332.87	6.03	-44.25
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004116	0	40	-1.0	-53.41	332.71	6.02	-47.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004117	0	43	-1.0	-58.41	347.62	6.92	-51.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004118	0	44	-1.0	-56.30	353.09	5.85	-50.45
CC1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1C(=O)[O-]	REAL300008004119	0	43	-1.0	-52.83	348.74	6.56	-46.27
O=C([O-])C1=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=CS1	REAL300008004120	0	37	-1.0	-45.27	315.87	5.81	-39.46
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004121	0	40	-1.0	-53.41	332.71	6.02	-47.39
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1	REAL300008004122	0	40	-1.0	-50.28	332.87	6.03	-44.25
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004123	0	40	-1.0	-47.95	321.89	6.91	-41.04
O=C([O-])C1=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=CN1	REAL300008004124	0	38	-1.0	-51.73	321.22	3.74	-47.99
O=C([O-])CN1C=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=N1	REAL300008004125	0	40	-1.0	-50.05	337.26	4.14	-45.91
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)S1	REAL300008004126	0	37	-1.0	-48.89	325.16	5.15	-43.74
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004127	0	37	-1.0	-51.55	308.80	3.05	-48.50
O=C([O-])C1CCCN(S(=O)(=O)NCC2CC3CCC(C2)S3)C1	REAL300008004128	0	45	-1.0	-48.67	348.28	5.04	-43.63
O=C([O-])C1CCN(S(=O)(=O)NCC2CC3CCC(C2)S3)CC1	REAL300008004129	0	45	-1.0	-46.92	345.89	5.06	-41.86
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004130	0	40	-1.0	-47.95	321.89	6.91	-41.04
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004131	0	40	-1.0	-42.31	338.63	7.41	-34.90
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)O1	REAL300008004132	0	37	-1.0	-50.95	317.47	4.39	-46.56
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC3CCC(C2)S3)O1	REAL300008004133	0	40	-1.0	-50.37	335.88	4.85	-45.52
O=C([O-])CCCS(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004134	0	39	-1.0	-52.60	317.50	4.62	-47.98
O=C([O-])C1CCCN1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004135	0	42	-1.0	-44.12	332.46	4.85	-39.27
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CC3CCC(C2)S3)C=C1	REAL300008004136	0	43	-1.0	-61.15	356.48	6.75	-54.40
O=C([O-])C1CCN(S(=O)(=O)NCC2CC3CCC(C2)S3)CC1	REAL300008004137	0	45	-1.0	-46.92	345.89	5.06	-41.86
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004138	0	43	-1.0	-62.90	356.48	6.74	-56.16
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)O1	REAL300008004139	0	37	-1.0	-50.95	317.47	4.39	-46.56
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1	REAL300008004140	0	44	-1.0	-50.23	363.96	6.30	-43.93
O=C([O-])CCCS(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004141	0	39	-1.0	-52.60	317.50	4.62	-47.98
O=C([O-])C1=CSC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004142	0	37	-1.0	-50.37	325.88	5.05	-45.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1C	REAL300008004143	0	46	-1.0	-55.92	362.44	7.38	-48.54
CC1=CC=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1C(=O)[O-]	REAL300008004144	0	43	-1.0	-52.07	349.55	7.08	-44.99
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004145	0	47	-1.0	-55.30	387.77	5.74	-49.56
O=C([O-])C1=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=CS1	REAL300008004146	0	37	-1.0	-52.59	324.54	5.04	-47.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004147	0	43	-1.0	-48.92	341.99	6.76	-42.16
O=C([O-])C1=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C2=CC=CC=C2S1	REAL300008004148	0	43	-1.0	-50.93	360.42	8.34	-42.59
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1	REAL300008004149	0	43	-1.0	-50.77	355.06	6.80	-43.97
O=C([O-])C1=COC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004150	0	37	-1.0	-50.08	317.70	4.13	-45.95
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004151	0	43	-1.0	-53.17	354.87	6.80	-46.37
CC1=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C(C(=O)[O-])O1	REAL300008004152	0	40	-1.0	-55.23	337.62	5.12	-50.11
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004153	0	39	-1.0	-47.63	327.86	4.22	-43.41
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004154	0	36	-1.0	-48.94	310.41	4.27	-44.67
O=C([O-])C1=C(S(=O)(=O)NCC2CC3CCC(C2)S3)SC=N1	REAL300008004155	0	36	-1.0	-53.68	314.26	3.74	-49.94
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004156	0	39	-1.0	-51.60	319.09	5.09	-46.51
O=C([O-])CCCCCS(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004157	0	45	-1.0	-53.98	360.49	6.19	-47.79
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=N1	REAL300008004158	0	39	-1.0	-52.33	328.56	4.23	-48.10
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004159	0	40	-1.0	-48.16	349.41	6.53	-41.63
COC1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1C(=O)[O-]	REAL300008004160	0	44	-1.0	-59.89	359.98	6.09	-53.80
CC1=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=CC=C1C(=O)[O-]	REAL300008004161	0	43	-1.0	-49.61	348.70	6.57	-43.04
CN(CCC(=O)[O-])S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004162	0	41	-1.0	-49.36	330.92	4.21	-45.15
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCC3CC4CCC(C3)S4)C=CC=C21	REAL300008004163	0	45	-1.0	-53.53	365.65	6.45	-47.08
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004164	0	47	-1.0	-55.30	387.77	5.74	-49.56
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004165	0	40	-1.0	-48.16	349.41	6.53	-41.63
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004166	0	40	-1.0	-49.70	333.01	6.52	-43.18
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004167	0	43	-1.0	-52.67	361.21	7.37	-45.30
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3CC4CCC(C3)S4)C=C21	REAL300008004168	0	46	-1.0	-53.31	379.84	7.36	-45.95
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CC3CCC(C2)S3)C=C1	REAL300008004169	0	43	-1.0	-61.15	356.48	6.75	-54.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004170	0	44	-1.0	-56.30	353.09	5.85	-50.45
CC1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1C(=O)[O-]	REAL300008004171	0	43	-1.0	-52.83	348.74	6.56	-46.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004172	0	43	-1.0	-58.41	347.62	6.92	-51.49
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004173	0	44	-1.0	-47.55	366.63	6.09	-41.46
O=C([O-])CC1(CS(=O)(=O)NCC2CC3CCC(C2)S3)CC1	REAL300008004174	0	43	-1.0	-48.85	343.04	5.91	-42.94
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004175	0	43	-1.0	-53.17	354.87	6.80	-46.37
COC1=C(S(=O)(=O)NCC2CC3CCC(C2)S3)SC(C(=O)[O-])=C1	REAL300008004176	0	41	-1.0	-48.28	351.11	4.30	-43.98
O=C([O-])C1CC2=CC(S(=O)(=O)NCC3CC4CCC(C3)S4)=CC=C2O1	REAL300008004177	0	45	-1.0	-51.11	369.52	6.69	-44.42
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCC3CC4CCC(C3)S4)C=C2)CC1	REAL300008004178	0	47	-1.0	-54.55	379.02	7.91	-46.64
CCC1=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C(C(=O)[O-])O1	REAL300008004179	0	43	-1.0	-54.78	357.05	5.94	-48.84
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004180	0	42	-1.0	-42.42	350.09	7.56	-34.86
O=C([O-])C1=CC2=CC(S(=O)(=O)NCC3CC4CCC(C3)S4)=CC=C2S1	REAL300008004181	0	43	-1.0	-53.23	370.77	7.52	-45.71
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004182	0	42	-1.0	-38.08	350.46	7.56	-30.52
CC1=NC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1C(=O)[O-]	REAL300008004183	0	42	-1.0	-47.93	344.35	4.74	-43.19
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004184	0	44	-1.0	-49.68	353.07	5.85	-43.83
COC1=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=CC=C1C(=O)[O-]	REAL300008004185	0	44	-1.0	-55.41	359.97	6.10	-49.31
COC1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C(CC(=O)[O-])=C1	REAL300008004186	0	47	-1.0	-57.68	374.78	6.47	-51.21
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1F	REAL300008004187	0	43	-1.0	-49.39	360.30	6.85	-42.54
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1	REAL300008004188	0	49	-1.0	-52.20	387.81	7.70	-44.50
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004189	0	40	-1.0	-48.56	322.79	4.27	-44.29
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3CC4CCC(C3)S4)C=CC=C12	REAL300008004190	0	46	-1.0	-51.99	369.18	8.25	-43.74
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004191	0	40	-1.0	-51.91	335.62	4.98	-46.93
O=C([O-])C1=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=CC=C1Cl	REAL300008004192	0	40	-1.0	-51.49	345.20	6.42	-45.07
O=C([O-])C1=C(S(=O)(=O)NCC2CC3CCC(C2)S3)OC=C1	REAL300008004193	0	37	-1.0	-61.77	313.09	4.43	-57.34
O=C([O-])C1(S(=O)(=O)NCC2CC3CCC(C2)S3)CCC1	REAL300008004194	0	40	-1.0	-45.38	315.62	5.21	-40.17
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004195	0	44	-1.0	-46.90	351.48	6.21	-40.69
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004196	0	37	-1.0	-51.55	308.80	3.05	-48.50
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004197	0	40	-1.0	-48.56	322.79	4.27	-44.29
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1C(=O)[O-]	REAL300008004198	0	42	-2.0	-135.59	359.57	7.00	-128.59
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004199	0	47	-1.0	-56.37	379.05	6.16	-50.21
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004200	0	39	-1.0	-48.40	328.93	4.14	-44.26
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004201	0	43	-1.0	-56.29	346.64	7.17	-49.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C1	REAL300008004202	0	37	-1.0	-47.04	332.35	4.67	-42.37
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3CCC(C2)S3)=C1	REAL300008004202	1	36	-2.0	-93.94	330.85	4.31	-89.63
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C2=CC=CC=C12	REAL300008004203	0	46	-1.0	-52.62	368.88	8.25	-44.37
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004204	0	47	-1.0	-55.83	374.94	6.77	-49.06
COC1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C(C(=O)[O-])=C1	REAL300008004205	0	44	-1.0	-48.92	351.34	6.19	-42.73
O=C([O-])C1=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=CC=N1	REAL300008004206	0	39	-1.0	-55.70	328.77	4.24	-51.46
O=C([O-])C1=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=NN1	REAL300008004207	0	37	-1.0	-44.68	316.18	2.27	-42.41
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004208	0	40	-1.0	-56.09	334.20	3.77	-52.32
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC3CC4CCC(C3)S4)C=C2C=C1	REAL300008004209	0	46	-1.0	-54.02	378.79	8.28	-45.74
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2CC3CCC(C2)S3)C1	REAL300008004210	0	40	-1.0	-52.04	318.99	4.95	-47.09
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2CC3CCC(C2)S3)C1	REAL300008004211	0	43	-1.0	-57.36	339.61	5.74	-51.62
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC3CCC(C2)S3)S1	REAL300008004212	0	40	-1.0	-50.40	343.98	5.75	-44.65
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004213	0	46	-1.0	-50.99	367.81	9.19	-41.80
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004214	0	43	-1.0	-57.03	345.26	7.21	-49.82
O=C([O-])C1=NC(S(=O)(=O)NCC2CC3CCC(C2)S3)=C2C=CC=CN21	REAL300008004215	0	43	-1.0	-67.08	359.06	4.66	-62.42
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC3CC4CCC(C3)S4)=C2C=C1	REAL300008004216	0	43	-1.0	-46.25	359.27	7.25	-39.00
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004217	0	40	-1.0	-54.56	326.90	5.33	-49.23
O=C([O-])C1CCCCN1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004218	0	45	-1.0	-49.41	339.77	6.09	-43.32
O=C([O-])C1=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=NN1	REAL300008004219	0	37	-1.0	-44.68	316.18	2.27	-42.41
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004220	0	42	-1.0	-61.45	334.35	4.88	-56.57
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004221	0	37	-1.0	-51.55	308.80	3.05	-48.50
O=C([O-])C1=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C(Cl)S1	REAL300008004222	0	37	-1.0	-40.40	333.07	6.42	-33.98
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004223	0	40	-1.0	-59.96	313.26	5.76	-54.20
CC1=CC(S(=O)(=O)NCC2CC3CCC(C2)S3)=CN=C1C(=O)[O-]	REAL300008004224	0	42	-1.0	-52.61	345.37	4.78	-47.83
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004225	0	43	-1.0	-57.03	345.26	7.21	-49.82
CCOC1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1C(=O)[O-]	REAL300008004226	0	47	-1.0	-60.33	381.83	7.00	-53.33
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3CC4CCC(C3)S4)C=C2C1	REAL300008004227	0	47	-1.0	-49.25	378.15	7.91	-41.34
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1CC2CCC(C1)S2	REAL300008004228	0	39	-1.0	-42.53	317.63	5.09	-37.44
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC3CC4CCC(C3)S4)C=C2C=C1	REAL300008004229	0	45	-1.0	-57.21	374.64	6.40	-50.81
O=C([O-])C1=CC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)=CN1	REAL300008004230	0	46	-1.0	-51.50	370.08	4.42	-47.08
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004231	0	45	-1.0	-52.31	354.49	3.58	-48.73
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)O1	REAL300008004232	0	45	-1.0	-49.97	366.33	5.06	-44.91
O=C([O-])CCCS(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004233	0	47	-1.0	-50.25	358.97	5.11	-45.14
O=C([O-])C1CCCN1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004234	0	50	-1.0	-47.80	373.12	5.07	-42.73
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)O1	REAL300008004235	0	45	-1.0	-49.97	366.33	5.06	-44.91
O=C([O-])CCCS(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004236	0	47	-1.0	-50.25	358.97	5.11	-45.14
O=C([O-])C1=COC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)=C1	REAL300008004237	0	45	-1.0	-49.41	366.49	4.79	-44.62
O=C([O-])CCCCCS(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004238	0	53	-1.0	-51.39	401.96	6.67	-44.72
CN(CCC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004239	0	49	-1.0	-48.60	377.32	4.76	-43.84
O=C([O-])CC1(CS(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)CC1	REAL300008004240	0	51	-1.0	-52.03	392.68	6.54	-45.49
O=C([O-])C1=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)OC=C1	REAL300008004241	0	45	-1.0	-62.33	362.81	5.12	-57.21
O=C([O-])C1(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)CCC1	REAL300008004242	0	48	-1.0	-48.14	358.52	5.85	-42.29
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004243	0	45	-1.0	-52.31	354.49	3.58	-48.73
O=C([O-])C1=CC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)=NN1	REAL300008004244	0	45	-1.0	-44.13	357.59	2.87	-41.26
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)C1	REAL300008004245	0	48	-1.0	-50.08	354.42	5.23	-44.85
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)C1	REAL300008004246	0	51	-1.0	-55.83	384.60	6.24	-49.59
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004247	0	48	-1.0	-55.21	378.53	6.03	-49.18
O=C([O-])C1=CC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)=NN1	REAL300008004248	0	45	-1.0	-44.13	357.59	2.87	-41.26
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004249	0	50	-1.0	-61.21	383.35	5.35	-55.86
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004250	0	45	-1.0	-52.31	354.49	3.58	-48.73
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCOCC2)C1	REAL300008004251	0	48	-1.0	-58.96	362.03	6.41	-52.55
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2)=NO1	REAL300008004252	0	37	-1.0	-54.43	331.17	3.09	-51.34
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C2)=NO1	REAL300008004253	0	37	-1.0	-55.23	331.43	3.09	-52.14
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C2)=NO1	REAL300008004254	0	40	-1.0	-58.44	339.17	3.61	-54.83
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NOC(C)=N2)C1	REAL300008004255	0	41	-1.0	-59.82	355.07	2.96	-56.86
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C2)=NO1	REAL300008004256	0	40	-1.0	-54.74	347.46	3.62	-51.12
CC1=NC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)C2)=NO1	REAL300008004257	0	34	-1.0	-54.88	306.98	2.30	-52.58
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C2)=NO1	REAL300008004258	0	37	-1.0	-55.23	331.43	3.09	-52.14
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2)=NO1	REAL300008004259	0	37	-1.0	-54.43	331.17	3.09	-51.34
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])C2)=NO1	REAL300008004260	0	37	-1.0	-67.63	323.37	4.31	-63.32
CC1=NC(C2CCN(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)C2)=NO1	REAL300008004261	0	35	-1.0	-53.74	319.94	0.84	-52.90
CC1=NC(C2CCN(S(=O)(=O)C3=CN(CC(=O)[O-])N=C3)C2)=NO1	REAL300008004262	0	37	-1.0	-53.51	335.23	1.23	-52.28
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C2)=NO1	REAL300008004263	0	34	-1.0	-51.25	322.91	2.24	-49.01
CC1=NC(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2)=NO1	REAL300008004264	0	34	-1.0	-55.94	306.75	0.15	-55.79
CC1=NC(C2CCN(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C2)=NO1	REAL300008004265	0	42	-1.0	-51.75	348.42	2.21	-49.54
CC1=NC(C2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C2)=NO1	REAL300008004266	0	42	-1.0	-54.91	350.12	2.26	-52.65
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])C2)=NO1	REAL300008004267	0	37	-1.0	-67.63	323.37	4.31	-63.32
CC1=NC(C2CCN(S(=O)(=O)C3=CC(Cl)=CC=C3C(=O)[O-])C2)=NO1	REAL300008004268	0	37	-1.0	-61.45	340.62	4.83	-56.62
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2)=NO1	REAL300008004269	0	34	-1.0	-55.61	315.69	1.49	-54.12
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)C2)=NO1	REAL300008004270	0	37	-1.0	-53.91	335.27	2.00	-51.91
CC1=NC(C2CCN(S(=O)(=O)CCCC(=O)[O-])C2)=NO1	REAL300008004271	0	36	-1.0	-56.09	317.44	1.73	-54.36
CC1=NC(C2CCN(S(=O)(=O)N3CCCC3C(=O)[O-])C2)=NO1	REAL300008004272	0	39	-1.0	-64.27	332.34	2.08	-62.19
CC1=NC(C2CCN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)C2)=NO1	REAL300008004273	0	40	-1.0	-61.95	355.21	3.83	-58.12
CC1=NC(C2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C2)=NO1	REAL300008004274	0	42	-1.0	-54.91	350.12	2.26	-52.65
CC1=NC(C2CCN(S(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)C2)=NO1	REAL300008004275	0	40	-1.0	-63.27	355.22	3.82	-59.45
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2)=NO1	REAL300008004276	0	34	-1.0	-55.61	315.69	1.49	-54.12
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C2)=NO1	REAL300008004277	0	41	-1.0	-52.26	362.00	3.41	-48.85
CC1=NC(C2CCN(S(=O)(=O)CCCC(=O)[O-])C2)=NO1	REAL300008004278	0	36	-1.0	-56.09	317.44	1.73	-54.36
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C2)=NO1	REAL300008004279	0	34	-1.0	-53.85	324.61	2.13	-51.72
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C2)=NO1	REAL300008004280	0	43	-1.0	-58.62	356.71	4.18	-54.44
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC(C)=C3C(=O)[O-])C2)=NO1	REAL300008004281	0	40	-1.0	-57.90	339.59	4.12	-53.78
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)=C1	REAL300008004282	0	44	-1.0	-56.90	385.73	2.80	-54.10
CC1=NC(C2CCN(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C2)=NO1	REAL300008004283	0	34	-1.0	-56.90	322.59	2.15	-54.75
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C2)=NO1	REAL300008004284	0	40	-1.0	-53.03	333.82	3.50	-49.53
CC1=NC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])SC4=CC=CC=C43)C2)=NO1	REAL300008004285	0	40	-1.0	-57.17	353.49	5.17	-52.00
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C2)=NO1	REAL300008004286	0	40	-1.0	-52.77	353.10	3.90	-48.87
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C3)C2)=NO1	REAL300008004287	0	42	-1.0	-45.63	368.91	4.12	-41.51
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)C2)=NO1	REAL300008004288	0	34	-1.0	-53.27	315.93	1.23	-52.04
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)C2)=NO1	REAL300008004289	0	40	-1.0	-55.00	353.59	3.86	-51.14
CC1=NC(C2CCN(S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C2)=NO1	REAL300008004290	0	37	-1.0	-57.74	328.90	2.09	-55.65
CC1=NC(C2CCN(S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)C2)=NO1	REAL300008004291	0	36	-1.0	-52.57	326.09	1.31	-51.26
CC1=NC(C2CCN(S(=O)(=O)C3=CSN=C3C(=O)[O-])C2)=NO1	REAL300008004292	0	33	-1.0	-59.25	301.28	0.73	-58.52
CC1=NC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])N=CS3)C2)=NO1	REAL300008004293	0	33	-1.0	-70.91	313.04	0.93	-69.98
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CN=C3C(=O)[O-])C2)=NO1	REAL300008004294	0	36	-1.0	-69.85	320.05	2.55	-67.30
CC1=NC(C2CCN(S(=O)(=O)CCCCCC(=O)[O-])C2)=NO1	REAL300008004295	0	42	-1.0	-57.48	360.44	3.29	-54.19
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)C2)=NO1	REAL300008004296	0	36	-1.0	-54.42	326.53	1.30	-53.12
CC1=NC(C2CCN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)C2)=NO1	REAL300008004297	0	37	-1.0	-49.86	348.12	3.60	-46.26
COC1=CC=C(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)C=C1C(=O)[O-]	REAL300008004298	0	41	-1.0	-60.81	358.71	3.15	-57.66
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)C2)=NO1	REAL300008004299	0	40	-1.0	-51.46	347.44	3.63	-47.83
CC1=NC(C2CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)=NO1	REAL300008004300	0	38	-1.0	-51.93	331.40	1.27	-50.66
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC4=C(C(=O)[O-])N=CC=C34)C2)=NO1	REAL300008004301	0	42	-1.0	-55.78	356.89	3.12	-52.66
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)=C1	REAL300008004302	0	44	-1.0	-56.90	385.73	2.80	-54.10
CC1=NC(C2CCN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)C2)=NO1	REAL300008004303	0	37	-1.0	-49.86	348.12	3.60	-46.26
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=NOC(C)=N2)C1	REAL300008004304	0	37	-1.0	-57.92	325.90	3.33	-54.59
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)C2)=NO1	REAL300008004305	0	40	-1.0	-52.71	352.69	4.01	-48.70
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C4OC(C(=O)[O-])=C(C)C4=C3)C2)=NO1	REAL300008004306	0	43	-1.0	-55.03	377.61	4.45	-50.58
CC1=NC(C2CCN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)C2)=NO1	REAL300008004307	0	40	-1.0	-61.95	355.21	3.83	-58.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NOC(C)=N2)C1	REAL300008004308	0	41	-1.0	-59.82	355.07	2.96	-56.86
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C2)=NO1	REAL300008004309	0	40	-1.0	-54.74	347.46	3.62	-51.12
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C2)=NO1	REAL300008004310	0	40	-1.0	-58.44	339.17	3.61	-54.83
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NOC(C)=N2)C1	REAL300008004311	0	41	-1.0	-51.26	361.32	3.24	-48.02
CC1=NC(C2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)=NO1	REAL300008004312	0	40	-1.0	-55.51	341.64	2.93	-52.58
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)C2)=NO1	REAL300008004313	0	40	-1.0	-55.00	353.59	3.86	-51.14
COC1=C(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)SC(C(=O)[O-])=C1	REAL300008004314	0	38	-1.0	-50.83	351.25	2.33	-48.50
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C4OC(C(=O)[O-])CC4=C3)C2)=NO1	REAL300008004315	0	42	-1.0	-53.83	367.46	3.76	-50.07
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C2)=NO1	REAL300008004316	0	44	-1.0	-58.70	377.30	4.96	-53.74
CCC1=C(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)C=C(C(=O)[O-])O1	REAL300008004317	0	40	-1.0	-55.45	348.56	2.76	-52.69
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])C2)=NO1	REAL300008004318	0	39	-1.0	-63.48	352.00	4.95	-58.53
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C4SC(C(=O)[O-])=CC4=C3)C2)=NO1	REAL300008004319	0	40	-1.0	-54.56	368.54	4.60	-49.96
CC1=NC(C2CCN(S(=O)(=O)C3=CC([N+](=O)[O-])=CC=C3C(=O)[O-])C2)=NO1	REAL300008004320	0	39	-1.0	-54.49	352.09	4.99	-49.50
CC1=NC(C2CCN(S(=O)(=O)C3=CN=C(C)C(C(=O)[O-])=C3)C2)=NO1	REAL300008004321	0	39	-1.0	-49.89	342.38	1.82	-48.07
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=NOC(C)=N2)C1	REAL300008004322	0	41	-1.0	-53.67	354.84	2.97	-50.70
COC1=CC(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)=CC=C1C(=O)[O-]	REAL300008004323	0	41	-1.0	-57.29	358.69	3.16	-54.13
COC1=CC=C(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)C(CC(=O)[O-])=C1	REAL300008004324	0	44	-1.0	-66.55	375.19	3.64	-62.91
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C(F)=C3)C2)=NO1	REAL300008004325	0	40	-1.0	-55.23	358.51	3.93	-51.30
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(C)(C)C(=O)[O-])C=C3)C2)=NO1	REAL300008004326	0	46	-1.0	-54.12	384.08	4.75	-49.37
CC1=NC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)C2)=NO1	REAL300008004327	0	37	-1.0	-58.89	324.69	1.54	-57.35
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)C2)=NO1	REAL300008004328	0	43	-1.0	-54.57	360.50	4.91	-49.66
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C)=C(C(=O)[O-])O3)C2)=NO1	REAL300008004329	0	37	-1.0	-53.17	334.14	2.06	-51.11
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C2)=NO1	REAL300008004330	0	37	-1.0	-56.78	343.44	3.50	-53.28
CC1=NC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)C2)=NO1	REAL300008004331	0	34	-1.0	-64.19	312.76	1.52	-62.67
CC1=NC(C2CCN(S(=O)(=O)C3(C(=O)[O-])CCC3)C2)=NO1	REAL300008004332	0	37	-1.0	-58.82	308.32	1.98	-56.84
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)=C1	REAL300008004333	0	41	-1.0	-66.22	353.27	3.62	-62.60
CC1=NC(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2)=NO1	REAL300008004334	0	34	-1.0	-55.94	306.75	0.15	-55.79
CC1=NC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)C2)=NO1	REAL300008004335	0	37	-1.0	-58.89	324.69	1.54	-57.35
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2)=NO1	REAL300008004336	0	39	-2.0	-137.64	358.28	4.06	-133.58
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NOC(C)=N2)C1	REAL300008004337	0	44	-1.0	-51.57	378.93	3.32	-48.25
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C2)=NO1	REAL300008004338	0	36	-1.0	-51.71	327.14	1.23	-50.48
CC1=NC(C2CCN(S(=O)(=O)CC3=CC=CC=C3C(=O)[O-])C2)=NO1	REAL300008004339	0	40	-1.0	-64.50	344.72	4.23	-60.27
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)C2)=NO1	REAL300008004340	0	34	-1.0	-49.96	330.33	1.75	-48.21
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C4=CC=CC=C43)C2)=NO1	REAL300008004341	0	43	-1.0	-55.47	360.07	4.90	-50.57
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NOC(C)=N2)C1	REAL300008004342	0	44	-1.0	-60.63	377.89	3.84	-56.79
COC1=CC=C(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)C(C(=O)[O-])=C1	REAL300008004343	0	41	-1.0	-70.24	353.26	3.62	-66.62
CC1=NC(C2CCN(S(=O)(=O)C3=CC=NC(C(=O)[O-])=C3)C2)=NO1	REAL300008004344	0	36	-1.0	-60.94	326.99	1.34	-59.60
CC1=NC(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2)=NO1	REAL300008004345	0	34	-1.0	-48.77	314.41	-0.62	-49.39
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=NN3C)C2)=NO1	REAL300008004346	0	37	-1.0	-59.34	331.15	0.91	-58.43
CC1=NC(C2CCN(S(=O)(=O)C3=CC4=CC=C(C(=O)[O-])C=C4C=C3)C2)=NO1	REAL300008004347	0	43	-1.0	-55.25	377.32	5.36	-49.89
CC1=NC(C2CCN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2)=NO1	REAL300008004348	0	37	-1.0	-56.21	321.39	2.27	-53.94
CC1=NC(C2CCN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2)=NO1	REAL300008004349	0	40	-1.0	-60.02	334.46	2.66	-57.36
CC1=NC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)S3)C2)=NO1	REAL300008004350	0	37	-1.0	-53.03	341.94	2.83	-50.20
CC1=NC(C2CCN(S(=O)(=O)C3=CC4=CC=CC=C4C=C3C(=O)[O-])C2)=NO1	REAL300008004351	0	43	-1.0	-72.98	368.25	6.47	-66.51
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])C2)=NO1	REAL300008004352	0	40	-1.0	-64.87	344.52	4.62	-60.25
CC1=NC(C2CCN(S(=O)(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)C2)=NO1	REAL300008004353	0	37	-1.0	-52.01	360.65	3.70	-48.31
CC1=NC(C2CCN(S(=O)(=O)C3=C4C=CC=CN4C(C(=O)[O-])=N3)C2)=NO1	REAL300008004354	0	40	-1.0	-73.54	357.29	1.76	-71.78
CC1=NC(C2CCN(S(=O)(=O)C3=C4C=CC(C(=O)[O-])=CN4C=N3)C2)=NO1	REAL300008004355	0	40	-1.0	-49.56	357.27	4.36	-45.20
CC1=NC(C2CCN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])C2)=NO1	REAL300008004356	0	37	-1.0	-56.78	327.83	2.42	-54.36
CC1=NC(C2CCN(S(=O)(=O)N3CCCCC3C(=O)[O-])C2)=NO1	REAL300008004357	0	42	-1.0	-59.56	334.99	2.84	-56.72
CC1=NC(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2)=NO1	REAL300008004358	0	34	-1.0	-48.77	314.41	-0.62	-49.39
CC1=NC(C2CCN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C2)=NO1	REAL300008004359	0	39	-1.0	-60.40	330.65	2.26	-58.14
CC1=NC(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2)=NO1	REAL300008004360	0	34	-1.0	-55.94	306.75	0.15	-55.79
CC1=NC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])SC(Cl)=C3)C2)=NO1	REAL300008004361	0	34	-1.0	-45.05	323.66	2.90	-42.15
CC1=NC(C2CCN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])C2)=NO1	REAL300008004362	0	37	-1.0	-64.59	313.60	2.96	-61.63
CC1=NC(C2CCN(S(=O)(=O)C3=CN=C(C(=O)[O-])C(C)=C3)C2)=NO1	REAL300008004363	0	39	-1.0	-54.05	344.06	1.84	-52.21
CC1=NC(C2CCN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])C2)=NO1	REAL300008004364	0	40	-1.0	-64.87	344.52	4.62	-60.25
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NOC(C)=N3)C2)C=C1C(=O)[O-]	REAL300008004365	0	44	-1.0	-63.97	380.57	4.06	-59.91
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C2)=NO1	REAL300008004366	0	44	-1.0	-53.35	375.47	4.96	-48.39
CC1=NC(C2CCN(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])C2)=NO1	REAL300008004367	0	36	-1.0	-60.18	318.94	2.48	-57.70
CC1=NC(C2CCN(S(=O)(=O)C3=CC4=CC=C(C(=O)[O-])N=C4C=C3)C2)=NO1	REAL300008004368	0	42	-1.0	-58.74	373.17	3.50	-55.24
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1	REAL300008004369	0	34	-1.0	-50.74	301.68	5.54	-45.20
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004370	0	34	-1.0	-53.63	301.72	5.53	-48.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004371	0	37	-1.0	-55.82	309.58	5.94	-49.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004372	0	38	-1.0	-56.76	325.46	5.38	-51.38
CC1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1C(=O)[O-]	REAL300008004373	0	37	-1.0	-57.93	317.93	6.05	-51.88
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=CS1	REAL300008004374	0	31	-1.0	-62.53	288.27	5.27	-57.26
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004375	0	34	-1.0	-53.63	301.72	5.53	-48.10
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1	REAL300008004376	0	34	-1.0	-50.74	301.68	5.54	-45.20
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004377	0	34	-1.0	-65.32	292.94	6.56	-58.76
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=CN1	REAL300008004378	0	32	-1.0	-51.42	290.05	3.20	-48.22
O=C([O-])CN1C=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=N1	REAL300008004379	0	34	-1.0	-50.23	306.11	3.61	-46.62
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)S1	REAL300008004380	0	31	-1.0	-52.49	294.05	4.63	-47.86
O=C([O-])C1=CNN=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004381	0	31	-1.0	-55.47	275.76	2.52	-52.95
O=C([O-])C1CCCN(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C1	REAL300008004382	0	39	-1.0	-50.60	319.48	4.63	-45.97
O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)CC1	REAL300008004383	0	39	-1.0	-52.23	319.17	4.64	-47.59
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004384	0	34	-1.0	-65.32	292.94	6.56	-58.76
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004385	0	34	-1.0	-57.59	306.17	7.07	-50.52
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)O1	REAL300008004386	0	31	-1.0	-49.99	285.06	3.89	-46.10
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)O1	REAL300008004387	0	34	-1.0	-53.87	304.90	4.36	-49.51
O=C([O-])C1CCCN1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004388	0	36	-1.0	-57.44	300.42	4.66	-52.78
O=C([O-])C1=CC=C(CS(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1	REAL300008004389	0	37	-1.0	-57.26	324.36	6.24	-51.02
O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)CC1	REAL300008004390	0	39	-1.0	-52.23	319.17	4.64	-47.59
O=C([O-])C1=CC=CC(CS(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004391	0	37	-1.0	-63.57	325.03	6.25	-57.32
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)O1	REAL300008004392	0	31	-1.0	-49.99	285.06	3.89	-46.10
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1	REAL300008004393	0	38	-1.0	-50.82	333.31	5.81	-45.01
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004394	0	38	-1.0	-45.59	337.08	6.49	-39.10
O=C([O-])C1=CSC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004395	0	31	-1.0	-53.33	292.86	4.50	-48.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1C	REAL300008004396	0	40	-1.0	-59.03	326.56	6.58	-52.45
CC1=CC=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1C(=O)[O-]	REAL300008004397	0	37	-1.0	-71.81	318.76	6.73	-65.08
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004398	0	41	-1.0	-54.22	357.21	5.25	-48.97
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=CS1	REAL300008004399	0	31	-1.0	-52.14	293.35	4.58	-47.56
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004400	0	37	-1.0	-55.14	329.13	7.62	-47.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004401	0	37	-1.0	-48.22	304.32	5.91	-42.31
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C2=CC=CC=C2S1	REAL300008004402	0	37	-1.0	-53.47	323.23	7.51	-45.96
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1	REAL300008004403	0	37	-1.0	-50.98	324.41	6.31	-44.67
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1[N+](=O)[O-]	REAL300008004404	0	39	-1.0	-42.72	340.42	6.56	-36.16
O=C([O-])C1=COC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004405	0	31	-1.0	-53.22	286.92	3.65	-49.57
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004406	0	37	-1.0	-52.29	323.89	6.30	-45.99
CC1=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C(C(=O)[O-])O1	REAL300008004407	0	34	-1.0	-55.01	301.16	4.58	-50.43
O=C([O-])C1=CN=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004408	0	33	-1.0	-48.11	296.87	3.74	-44.37
O=C([O-])C1=NSC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004409	0	30	-1.0	-62.68	280.28	3.65	-59.03
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)SC=N1	REAL300008004410	0	30	-1.0	-64.76	283.91	3.30	-61.46
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004411	0	33	-1.0	-71.01	291.50	4.92	-66.09
O=C([O-])CCCCCS(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004412	0	39	-1.0	-55.44	329.08	5.64	-49.80
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=N1	REAL300008004413	0	33	-1.0	-51.38	297.54	3.75	-47.63
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004414	0	34	-1.0	-47.08	318.87	6.06	-41.02
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004415	0	34	-1.0	-47.02	323.44	6.16	-40.86
COC1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1C(=O)[O-]	REAL300008004416	0	38	-1.0	-60.79	329.21	5.60	-55.19
CC1=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=CC=C1C(=O)[O-]	REAL300008004417	0	37	-1.0	-50.23	317.73	6.08	-44.15
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)C=CC=C21	REAL300008004418	0	39	-1.0	-57.57	328.26	5.64	-51.93
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004419	0	41	-1.0	-54.22	357.21	5.25	-48.97
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004420	0	34	-1.0	-47.08	318.87	6.06	-41.02
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004421	0	34	-1.0	-55.95	295.61	5.75	-50.20
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004422	0	37	-1.0	-51.21	321.68	6.37	-44.84
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)C=C21	REAL300008004423	0	40	-1.0	-52.21	348.50	6.83	-45.38
O=C([O-])C1=CC=C(CS(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1	REAL300008004424	0	37	-1.0	-57.26	324.36	6.24	-51.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004425	0	38	-1.0	-56.76	325.46	5.38	-51.38
CC1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1C(=O)[O-]	REAL300008004426	0	37	-1.0	-57.93	317.93	6.05	-51.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004427	0	37	-1.0	-55.82	309.58	5.94	-49.88
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004428	0	38	-1.0	-46.43	332.00	5.61	-40.82
O=C([O-])CC1(CS(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)CC1	REAL300008004429	0	37	-1.0	-48.26	310.47	5.43	-42.83
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004430	0	37	-1.0	-52.29	323.89	6.30	-45.99
COC1=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)SC(C(=O)[O-])=C1	REAL300008004431	0	35	-1.0	-46.63	322.74	4.75	-41.88
O=C([O-])C1CC2=CC(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)=CC=C2O1	REAL300008004432	0	39	-1.0	-51.64	338.51	6.20	-45.44
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1C(F)(F)F	REAL300008004433	0	37	-1.0	-49.25	331.83	6.34	-42.91
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)C=C2)CC1	REAL300008004434	0	41	-1.0	-50.39	345.54	7.32	-43.07
CCC1=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C(C(=O)[O-])O1	REAL300008004435	0	37	-1.0	-53.02	319.28	5.19	-47.83
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004436	0	36	-1.0	-59.11	322.18	7.36	-51.75
O=C([O-])C1=CC2=CC(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)=CC=C2S1	REAL300008004437	0	37	-1.0	-51.33	339.96	7.01	-44.32
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004438	0	36	-1.0	-51.07	318.62	7.28	-43.79
CC1=NC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1C(=O)[O-]	REAL300008004439	0	36	-1.0	-50.39	311.11	4.17	-46.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004440	0	38	-1.0	-49.02	325.30	5.39	-43.63
COC1=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=CC=C1C(=O)[O-]	REAL300008004441	0	38	-1.0	-55.05	328.73	5.60	-49.45
COC1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C(CC(=O)[O-])=C1	REAL300008004442	0	41	-1.0	-64.00	343.74	6.21	-57.79
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1F	REAL300008004443	0	37	-1.0	-53.11	329.04	6.34	-46.77
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004444	0	37	-1.0	-46.48	341.19	6.54	-39.94
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1	REAL300008004445	0	43	-1.0	-51.74	357.15	7.20	-44.54
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004446	0	34	-1.0	-51.55	291.47	3.79	-47.76
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)C=CC=C12	REAL300008004447	0	40	-1.0	-55.39	331.91	7.41	-47.98
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004448	0	34	-1.0	-57.00	304.62	4.49	-52.51
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004449	0	34	-1.0	-57.57	310.74	7.18	-50.39
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=CC=C1Cl	REAL300008004450	0	34	-1.0	-51.38	313.97	5.92	-45.46
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)OC=C1	REAL300008004451	0	31	-1.0	-52.76	276.76	4.25	-48.51
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004452	0	38	-1.0	-62.70	318.83	5.88	-56.82
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1OC	REAL300008004453	0	46	-1.0	-50.59	384.62	6.72	-43.87
O=C([O-])C1=CNN=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004454	0	31	-1.0	-55.47	275.76	2.52	-52.95
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004455	0	34	-1.0	-51.55	291.47	3.79	-47.76
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1C(=O)[O-]	REAL300008004456	0	36	-2.0	-141.82	328.77	6.49	-135.33
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004457	0	41	-1.0	-54.05	345.87	5.51	-48.54
O=C([O-])C1=CC=NC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004458	0	33	-1.0	-47.75	296.51	3.64	-44.11
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004459	0	37	-1.0	-58.41	315.93	6.68	-51.73
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004460	0	31	-1.0	-50.58	301.58	4.18	-46.40
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C2=CC=CC=C12	REAL300008004461	0	40	-1.0	-51.16	331.75	7.44	-43.72
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004462	0	41	-1.0	-57.89	344.72	6.25	-51.64
COC1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C(C(=O)[O-])=C1	REAL300008004463	0	38	-1.0	-66.07	323.42	6.00	-60.07
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=CC=N1	REAL300008004464	0	33	-1.0	-56.76	297.52	3.74	-53.02
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=NN1	REAL300008004465	0	31	-1.0	-44.24	285.01	1.74	-42.50
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004466	0	34	-1.0	-52.58	304.22	3.21	-49.37
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)C=C2C=C1	REAL300008004467	0	40	-1.0	-53.54	347.59	7.80	-45.74
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C1	REAL300008004468	0	37	-1.0	-57.18	306.78	5.13	-52.05
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)S1	REAL300008004469	0	34	-1.0	-50.03	312.81	5.19	-44.84
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004470	0	40	-1.0	-68.59	335.81	8.99	-59.60
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300008004471	0	37	-1.0	-47.95	326.39	6.90	-41.05
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004472	0	37	-1.0	-61.07	315.44	7.00	-54.07
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1C[C@@H]3CSC[C@@H]3C1)=C2	REAL300008004473	0	34	-1.0	-49.10	331.15	6.08	-43.02
O=C([O-])C1=NC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=C2C=CC=CN21	REAL300008004474	0	37	-1.0	-69.94	329.86	4.11	-65.83
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)=C2C=C1	REAL300008004475	0	37	-1.0	-48.37	328.50	6.77	-41.60
O=C([O-])C1CCCCN1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004476	0	39	-1.0	-51.59	304.32	5.23	-46.36
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=NN1	REAL300008004477	0	31	-1.0	-44.24	285.01	1.74	-42.50
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004478	0	36	-1.0	-45.97	295.07	3.89	-42.08
O=C([O-])C1=CNN=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004479	0	31	-1.0	-55.47	275.76	2.52	-52.95
O=C([O-])C1=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C(Cl)S1	REAL300008004480	0	31	-1.0	-54.33	301.54	5.75	-48.58
CC1=CC(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)=CN=C1C(=O)[O-]	REAL300008004481	0	36	-1.0	-52.74	313.04	4.26	-48.48
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004482	0	37	-1.0	-61.07	315.44	7.00	-54.07
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1C(=O)[O-]	REAL300008004483	0	41	-1.0	-64.71	351.07	6.49	-58.22
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)C=C2C1	REAL300008004484	0	41	-1.0	-49.64	345.97	7.36	-42.28
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1	REAL300008004485	0	33	-1.0	-59.52	289.60	4.90	-54.62
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3C[C@@H]4CSC[C@@H]4C3)C=C2C=C1	REAL300008004486	0	39	-1.0	-57.05	343.44	5.93	-51.12
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008004487	0	39	-1.0	-51.47	350.86	5.29	-46.18
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008004488	0	39	-1.0	-54.74	350.87	5.28	-49.46
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008004489	0	42	-1.0	-58.37	365.50	6.19	-52.18
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008004490	0	43	-1.0	-56.59	371.26	5.11	-51.48
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008004491	0	42	-1.0	-54.86	366.89	5.82	-49.04
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008004492	0	36	-1.0	-48.70	334.03	5.07	-43.63
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008004493	0	39	-1.0	-54.74	350.87	5.28	-49.46
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008004494	0	39	-1.0	-51.47	350.86	5.29	-46.18
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008004495	0	39	-1.0	-52.13	340.19	6.14	-45.99
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008004496	0	37	-1.0	-53.87	339.39	3.02	-50.85
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008004497	0	39	-1.0	-52.59	355.43	3.41	-49.18
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008004498	0	36	-1.0	-50.31	343.14	4.41	-45.90
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008004499	0	36	-1.0	-53.91	326.97	2.31	-51.60
COC1=CC=C(F)C=C1CCNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008004500	0	44	-1.0	-50.16	366.28	4.30	-45.86
COC1=CC=C(F)C=C1CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008004501	0	44	-1.0	-50.39	367.49	4.37	-46.02
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008004502	0	39	-1.0	-52.13	340.19	6.14	-45.99
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008004503	0	39	-1.0	-45.88	356.90	6.66	-39.22
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008004504	0	36	-1.0	-52.41	335.63	3.66	-48.75
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008004505	0	39	-1.0	-52.02	353.85	4.12	-47.90
COC1=CC=C(F)C=C1CCNS(=O)(=O)CCCC(=O)[O-]	REAL300008004506	0	38	-1.0	-54.12	336.89	3.91	-50.21
COC1=CC=C(F)C=C1CCNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008004507	0	41	-1.0	-48.33	350.44	4.12	-44.21
COC1=CC=C(F)C=C1CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008004508	0	42	-1.0	-59.68	374.65	6.01	-53.67
COC1=CC=C(F)C=C1CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008004509	0	44	-1.0	-50.39	367.49	4.37	-46.02
COC1=CC=C(F)C=C1CCNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008004510	0	42	-1.0	-61.80	374.66	6.01	-55.79
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008004511	0	36	-1.0	-52.41	335.63	3.66	-48.75
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008004512	0	43	-1.0	-51.04	381.94	5.57	-45.47
COC1=CC=C(F)C=C1CCNS(=O)(=O)CCCC(=O)[O-]	REAL300008004513	0	38	-1.0	-54.12	336.89	3.91	-50.21
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008004514	0	36	-1.0	-51.70	344.05	4.31	-47.39
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008004515	0	45	-1.0	-59.58	382.47	6.72	-52.86
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008004516	0	42	-1.0	-56.35	368.21	6.43	-49.92
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC(F)=CC=C2OC)=C1	REAL300008004517	0	46	-1.0	-56.36	405.93	4.99	-51.37
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008004518	0	36	-1.0	-53.85	342.52	4.30	-49.55
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008004519	0	42	-1.0	-51.38	360.81	5.95	-45.43
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008004520	0	42	-1.0	-51.32	373.04	6.08	-45.24
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008004521	0	36	-1.0	-51.62	335.88	3.40	-48.22
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008004522	0	42	-1.0	-53.78	373.03	6.06	-47.72
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008004523	0	39	-1.0	-55.91	355.61	4.37	-51.54
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008004524	0	38	-1.0	-49.06	346.03	3.48	-45.58
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008004525	0	35	-1.0	-52.48	328.38	3.53	-48.95
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008004526	0	35	-1.0	-64.15	331.32	3.00	-61.15
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008004527	0	38	-1.0	-55.31	337.01	4.36	-50.95
COC1=CC=C(F)C=C1CCNS(=O)(=O)CCCCCC(=O)[O-]	REAL300008004528	0	44	-1.0	-55.26	379.89	5.48	-49.78
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008004529	0	38	-1.0	-53.67	346.73	3.49	-50.18
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008004530	0	39	-1.0	-49.47	367.59	5.79	-43.68
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008004531	0	43	-1.0	-60.34	378.15	5.35	-54.99
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008004532	0	42	-1.0	-50.81	366.87	5.83	-44.98
COC1=CC=C(F)C=C1CCNS(=O)(=O)N(C)CCC(=O)[O-]	REAL300008004533	0	40	-1.0	-50.80	350.03	3.50	-47.30
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC(F)=CC=C2OC)=C1	REAL300008004534	0	46	-1.0	-56.36	405.93	4.99	-51.37
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008004535	0	39	-1.0	-49.47	367.59	5.79	-43.68
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008004536	0	39	-1.0	-51.03	351.44	5.89	-45.14
COC1=CC=C(F)C=C1CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008004537	0	42	-1.0	-59.68	374.65	6.01	-53.67
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008004538	0	43	-1.0	-56.59	371.26	5.11	-51.48
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008004539	0	42	-1.0	-54.86	366.89	5.82	-49.04
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008004540	0	42	-1.0	-58.37	365.50	6.19	-52.18
COC1=CC=C(F)C=C1CCNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008004541	0	42	-1.0	-50.49	361.22	5.17	-45.32
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008004542	0	42	-1.0	-53.78	373.03	6.06	-47.72
COC1=C(S(=O)(=O)NCCC2=CC(F)=CC=C2OC)SC(C(=O)[O-])=C1	REAL300008004543	0	40	-1.0	-50.19	369.09	3.56	-46.63
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008004544	0	44	-1.0	-52.28	387.69	5.95	-46.33
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008004545	0	46	-1.0	-55.03	397.00	7.18	-47.85
CCC1=C(S(=O)(=O)NCCC2=CC(F)=CC=C2OC)C=C(C(=O)[O-])O1	REAL300008004546	0	42	-1.0	-55.44	375.21	5.19	-50.25
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008004547	0	41	-1.0	-46.02	368.37	6.81	-39.21
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008004548	0	41	-1.0	-41.20	368.34	6.82	-34.38
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008004549	0	41	-1.0	-49.07	362.30	4.00	-45.07
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008004550	0	43	-1.0	-50.75	371.30	5.11	-45.64
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008004551	0	43	-1.0	-56.71	378.13	5.36	-51.35
COC1=CC=C(S(=O)(=O)NCCC2=CC(F)=CC=C2OC)C(CC(=O)[O-])=C1	REAL300008004552	0	46	-1.0	-59.41	392.73	5.78	-53.63
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008004553	0	42	-1.0	-52.91	378.49	6.11	-46.80
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008004554	0	48	-1.0	-52.13	404.04	6.94	-45.19
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008004555	0	39	-1.0	-53.28	342.85	3.63	-49.65
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008004556	0	39	-1.0	-53.36	353.59	4.25	-49.11
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008004557	0	39	-1.0	-52.73	363.37	5.68	-47.05
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008004558	0	36	-1.0	-54.90	328.08	4.14	-50.76
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008004559	0	39	-1.0	-46.28	335.02	4.49	-41.79
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCC2=CC(F)=CC=C2OC)=C1	REAL300008004560	0	43	-1.0	-50.61	369.56	5.47	-45.14
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008004561	0	36	-1.0	-53.91	326.97	2.31	-51.60
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008004562	0	39	-1.0	-53.28	342.85	3.63	-49.65
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008004563	0	41	-2.0	-137.65	377.72	6.24	-131.41
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC(F)=CC=C1OC	REAL300008004564	0	46	-1.0	-56.55	397.27	5.42	-51.13
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008004565	0	38	-1.0	-50.02	347.09	3.40	-46.62
COC1=CC=C(F)C=C1CCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008004566	0	42	-1.0	-57.68	364.61	6.45	-51.23
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008004567	0	36	-1.0	-48.66	350.53	3.94	-44.72
COC1=CC=C(F)C=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008004567	1	35	-2.0	-98.66	348.28	3.55	-95.11
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC(F)=CC=C1OC	REAL300008004568	0	46	-1.0	-56.21	393.01	6.03	-50.18
COC1=CC=C(S(=O)(=O)NCCC2=CC(F)=CC=C2OC)C(C(=O)[O-])=C1	REAL300008004569	0	43	-1.0	-52.86	369.56	5.45	-47.41
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008004570	0	38	-1.0	-56.91	346.93	3.49	-53.42
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008004571	0	36	-1.0	-46.37	334.35	1.53	-44.84
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008004572	0	39	-1.0	-57.48	352.37	3.03	-54.45
COC1=CC=C(F)C=C1CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008004573	0	39	-1.0	-54.84	339.25	4.32	-50.52
COC1=CC=C(F)C=C1CCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008004574	0	42	-1.0	-56.67	357.91	5.00	-51.67
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008004575	0	39	-1.0	-51.83	362.15	5.01	-46.82
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008004576	0	42	-1.0	-58.64	363.21	6.49	-52.15
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008004577	0	42	-1.0	-68.50	377.23	3.92	-64.58
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008004578	0	42	-1.0	-47.47	377.44	6.51	-40.96
COC1=CC=C(F)C=C1CCNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008004579	0	39	-1.0	-56.62	347.52	4.62	-52.00
COC1=CC=C(F)C=C1CCNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008004580	0	44	-1.0	-51.72	357.89	5.35	-46.37
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008004581	0	36	-1.0	-46.37	334.35	1.53	-44.84
COC1=CC=C(F)C=C1CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008004582	0	41	-1.0	-48.32	350.46	4.11	-44.21
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008004583	0	36	-1.0	-53.91	326.97	2.31	-51.60
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008004584	0	36	-1.0	-43.73	351.01	5.69	-38.04
COC1=CC=C(F)C=C1CCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008004585	0	39	-1.0	-59.44	331.23	5.02	-54.42
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008004586	0	41	-1.0	-53.70	363.26	4.06	-49.64
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008004587	0	42	-1.0	-58.64	363.21	6.49	-52.15
CCOC1=CC=C(S(=O)(=O)NCCC2=CC(F)=CC=C2OC)C=C1C(=O)[O-]	REAL300008004588	0	46	-1.0	-61.54	400.00	6.26	-55.28
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008004589	0	46	-1.0	-52.12	396.32	7.17	-44.95
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008004590	0	38	-1.0	-46.38	335.72	4.34	-42.04
CC(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004591	0	37	-1.0	-54.08	326.03	4.67	-49.41
CCC(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004592	0	44	-1.0	-49.35	361.92	6.78	-42.57
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300008004593	0	29	-1.0	-47.03	292.21	3.81	-43.22
COC1=CC=C(C)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004594	0	39	-1.0	-51.65	324.70	4.73	-46.92
CC1=CC=C(Br)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004595	0	35	-1.0	-46.71	319.20	5.71	-41.00
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300008004596	0	36	-1.0	-49.27	319.79	4.54	-44.73
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004597	0	38	-1.0	-58.94	343.94	1.71	-57.23
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300008004598	0	36	-1.0	-48.00	329.25	3.99	-44.01
COC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1OC	REAL300008004599	0	43	-1.0	-49.82	357.23	4.20	-45.62
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004600	0	35	-1.0	-47.02	314.67	5.59	-41.43
CN(C1CCCCC1)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004601	0	43	-1.0	-46.52	338.96	4.58	-41.94
CC1=NN(C)C(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004602	0	38	-1.0	-53.56	319.06	3.21	-50.35
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300008004603	0	48	-1.0	-49.06	385.11	8.00	-41.06
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300008004604	0	38	-1.0	-53.00	327.73	3.35	-49.65
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2Br)C1	REAL300008004605	0	32	-1.0	-51.33	300.44	4.90	-46.43
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300008004606	0	32	-1.0	-48.23	304.56	4.82	-43.41
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004607	0	37	-1.0	-59.80	315.22	6.54	-53.26
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300008004608	0	38	-1.0	-53.61	345.31	6.14	-47.47
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004609	0	42	-1.0	-63.47	366.60	0.69	-62.78
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004610	0	43	-1.0	-53.50	365.71	6.02	-47.48
CC1=CC(F)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004611	0	35	-1.0	-47.98	311.37	4.92	-43.06
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300008004612	0	38	-1.0	-51.92	328.93	4.71	-47.21
COCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004613	0	39	-1.0	-50.38	338.32	3.92	-46.46
CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300008004614	0	38	-1.0	-50.16	332.57	1.81	-48.35
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004615	0	41	-1.0	-60.65	368.28	2.39	-58.26
CS(=O)(=O)CCCS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004616	0	37	-1.0	-67.05	332.31	0.16	-66.89
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1C	REAL300008004617	0	42	-1.0	-49.54	343.13	4.99	-44.55
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300008004618	0	37	-1.0	-50.77	333.76	4.76	-46.01
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300008004619	0	35	-1.0	-56.71	328.10	5.50	-51.21
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300008004620	0	37	-1.0	-51.97	324.50	4.57	-47.40
CS(=O)(=O)N1CCN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300008004621	0	42	-1.0	-56.85	355.85	-0.10	-56.95
CN(C1CCOCC1)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004622	0	41	-1.0	-47.09	329.72	2.19	-44.90
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300008004623	0	41	-1.0	-54.03	356.33	5.47	-48.56
CCN1N=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C	REAL300008004624	0	41	-1.0	-53.34	340.86	4.08	-49.26
CC(C)N1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300008004625	0	38	-1.0	-52.22	328.30	3.28	-48.94
CC(C)CN1C=NC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004626	0	41	-1.0	-53.65	347.32	5.22	-48.43
CC(C)N1C=NC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004627	0	38	-1.0	-53.60	328.21	4.63	-48.97
CC(C)C1=NC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN1	REAL300008004628	0	38	-1.0	-54.05	326.54	2.69	-51.36
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004629	0	44	-1.0	-48.59	331.86	6.58	-42.01
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300008004630	0	45	-1.0	-56.80	387.42	7.15	-49.65
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004631	0	40	-1.0	-55.63	349.73	3.59	-52.04
COC1=CC(Cl)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1OC	REAL300008004632	0	40	-1.0	-50.68	355.02	3.97	-46.71
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Br	REAL300008004633	0	35	-1.0	-50.29	322.75	5.39	-44.90
CC1=C(F)C=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004634	0	35	-1.0	-50.10	303.13	5.11	-44.99
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300008004635	0	38	-1.0	-51.09	339.35	6.93	-44.16
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300008004636	0	37	-1.0	-52.10	333.54	6.33	-45.77
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300008004637	0	36	-1.0	-51.35	328.73	3.84	-47.51
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300008004638	0	39	-1.0	-53.18	339.98	5.97	-47.21
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004639	0	47	-1.0	-52.88	372.98	5.10	-47.78
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300008004640	0	35	-1.0	-52.23	317.42	5.12	-47.11
COCC1=CC=C(OC)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004641	0	43	-1.0	-52.49	358.36	3.78	-48.71
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC[C@H]2CCCO2)S1	REAL300008006001	0	36	-1.0	-51.62	324.39	2.90	-48.72
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC[C@H]1CCCO1	REAL300008006002	0	42	-1.0	-56.00	348.14	6.33	-49.67
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC[C@H]2CCCO2)=C1	REAL300008006003	0	39	-1.0	-48.11	337.89	4.77	-43.34
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC[C@H]1CCCO1	REAL300008006004	0	39	-1.0	-57.61	325.53	4.36	-53.25
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC[C@H]1CCCO1)=C2	REAL300008006005	0	36	-1.0	-50.02	342.82	3.76	-46.26
O=C([O-])C1=NC(S(=O)(=O)NCC[C@H]2CCCO2)=C2C=CC=CN12	REAL300008006006	0	39	-1.0	-69.39	339.47	1.79	-67.60
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC[C@H]3CCCO3)=C2C=C1	REAL300008006007	0	39	-1.0	-47.40	339.68	4.41	-42.99
O=C([O-])C1CCCCN1S(=O)(=O)NCC[C@H]1CCCO1	REAL300008006008	0	41	-1.0	-52.11	324.93	3.03	-49.08
O=C([O-])C1=C(S(=O)(=O)NCC[C@H]2CCCO2)C=C(Cl)S1	REAL300008006009	0	33	-1.0	-44.10	313.26	3.59	-40.51
CC1=CC(S(=O)(=O)NCC[C@H]2CCCO2)=CN=C1C(=O)[O-]	REAL300008006010	0	38	-1.0	-53.62	325.74	1.93	-51.69
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC[C@H]1CCCO1	REAL300008006011	0	39	-1.0	-57.61	325.53	4.36	-53.25
CCOC1=CC=C(S(=O)(=O)NCC[C@H]2CCCO2)C=C1C(=O)[O-]	REAL300008006012	0	43	-1.0	-60.51	361.78	4.14	-56.37
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC[C@H]3CCCO3)C=C2C1	REAL300008006013	0	43	-1.0	-50.51	357.82	5.05	-45.46
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC[C@H]1CCCO1	REAL300008006014	0	35	-1.0	-46.67	298.00	2.23	-44.44
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC[C@H]3CCCO3)C=C2C=C1	REAL300008006015	0	41	-1.0	-57.04	354.85	3.57	-53.47
O=C([O-])C1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1	REAL300008006016	0	39	-1.0	-48.37	341.40	6.65	-41.72
O=C([O-])C1=CC=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006017	0	39	-1.0	-52.15	341.41	6.64	-45.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006018	0	42	-1.0	-55.19	356.07	7.55	-47.64
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006019	0	43	-1.0	-54.62	361.81	6.48	-48.14
CC1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1C(=O)[O-]	REAL300008006020	0	42	-1.0	-51.72	357.46	7.18	-44.54
O=C([O-])C1=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=CS1	REAL300008006021	0	36	-1.0	-45.71	324.60	6.43	-39.28
O=C([O-])C1=CC=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006022	0	39	-1.0	-52.15	341.41	6.64	-45.51
O=C([O-])C1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1	REAL300008006023	0	39	-1.0	-48.37	341.40	6.65	-41.72
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006024	0	39	-1.0	-49.16	330.73	7.51	-41.65
O=C([O-])CN1C=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=N1	REAL300008006025	0	39	-1.0	-49.11	345.98	4.76	-44.35
O=C([O-])C1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)S1	REAL300008006026	0	36	-1.0	-47.03	333.78	5.78	-41.25
O=C([O-])C1CCCN(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C1	REAL300008006027	0	44	-1.0	-49.19	359.71	5.82	-43.37
O=C([O-])C1CCN(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)CC1	REAL300008006028	0	44	-1.0	-46.48	358.01	5.72	-40.76
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006029	0	39	-1.0	-49.16	330.73	7.51	-41.65
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006030	0	39	-1.0	-42.98	347.54	8.04	-34.94
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)O1	REAL300008006031	0	39	-1.0	-49.09	344.40	5.48	-43.61
O=C([O-])C1CCCN1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006032	0	41	-1.0	-57.39	341.23	5.80	-51.59
O=C([O-])C1=CC=C(CS(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1	REAL300008006033	0	42	-1.0	-57.26	365.21	7.37	-49.89
O=C([O-])C1CCN(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)CC1	REAL300008006034	0	44	-1.0	-46.48	358.01	5.72	-40.76
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006035	0	42	-1.0	-59.04	365.20	7.37	-51.67
O=C([O-])COC1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1	REAL300008006036	0	43	-1.0	-48.04	372.48	6.93	-41.11
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006037	0	43	-1.0	-44.73	380.47	7.64	-37.09
O=C([O-])C1=CSC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006038	0	36	-1.0	-49.03	334.72	5.67	-43.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1C	REAL300008006039	0	45	-1.0	-56.34	373.56	8.09	-48.25
CC1=CC=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1C(=O)[O-]	REAL300008006040	0	42	-1.0	-53.20	358.17	7.70	-45.50
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006041	0	46	-1.0	-53.13	396.48	6.35	-46.78
O=C([O-])C1=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=CS1	REAL300008006042	0	36	-1.0	-50.50	333.09	5.67	-44.83
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006043	0	42	-1.0	-41.24	369.81	8.53	-32.71
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006044	0	42	-1.0	-48.18	351.18	7.33	-40.85
O=C([O-])C1=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C2=CC=CC=C2S1	REAL300008006045	0	42	-1.0	-51.33	368.95	8.97	-42.36
O=C([O-])CC1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1	REAL300008006046	0	42	-1.0	-48.49	363.58	7.43	-41.06
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1[N+](=O)[O-]	REAL300008006047	0	44	-1.0	-42.07	379.66	7.67	-34.40
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006048	0	42	-1.0	-51.16	363.58	7.42	-43.74
CC1=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C(C(=O)[O-])O1	REAL300008006049	0	39	-1.0	-52.60	345.37	5.76	-46.84
O=C([O-])C1=CN=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006050	0	38	-1.0	-46.40	336.58	4.85	-41.55
O=C([O-])C1=NSC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006051	0	35	-1.0	-49.74	318.94	4.89	-44.85
O=C([O-])C1=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)SC=N1	REAL300008006052	0	35	-1.0	-63.10	319.75	4.24	-58.86
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006053	0	38	-1.0	-52.34	327.49	5.73	-46.61
O=C([O-])CCCCCS(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006054	0	44	-1.0	-52.62	370.43	6.85	-45.77
O=C([O-])C1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=N1	REAL300008006055	0	38	-1.0	-50.58	337.29	4.86	-45.72
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006056	0	39	-1.0	-46.77	358.15	7.15	-39.62
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006057	0	39	-1.0	-46.72	362.71	7.26	-39.46
COC1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1C(=O)[O-]	REAL300008006058	0	43	-1.0	-57.75	368.70	6.71	-51.04
CC1=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=CC=C1C(=O)[O-]	REAL300008006059	0	42	-1.0	-47.72	357.44	7.19	-40.53
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)C=CC=C21	REAL300008006060	0	44	-1.0	-52.00	374.14	7.06	-44.94
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006061	0	46	-1.0	-53.13	396.48	6.35	-46.78
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006062	0	39	-1.0	-46.77	358.15	7.15	-39.62
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006063	0	39	-1.0	-48.33	341.95	7.24	-41.09
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006064	0	42	-1.0	-50.28	370.75	7.86	-42.42
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)C=C21	REAL300008006065	0	45	-1.0	-51.05	388.35	7.98	-43.07
O=C([O-])C1=CC=C(CS(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1	REAL300008006066	0	42	-1.0	-57.26	365.21	7.37	-49.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006067	0	43	-1.0	-54.62	361.81	6.48	-48.14
CC1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1C(=O)[O-]	REAL300008006068	0	42	-1.0	-51.72	357.46	7.18	-44.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006069	0	42	-1.0	-55.19	356.07	7.55	-47.64
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006070	0	43	-1.0	-45.38	365.80	6.75	-38.63
O=C([O-])CC1(CS(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)CC1	REAL300008006071	0	42	-1.0	-50.19	352.62	6.50	-43.69
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006072	0	42	-1.0	-51.16	363.58	7.42	-43.74
COC1=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)SC(C(=O)[O-])=C1	REAL300008006073	0	40	-1.0	-46.78	359.64	4.93	-41.85
O=C([O-])C1CC2=CC(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)=CC=C2O1	REAL300008006074	0	44	-1.0	-49.81	378.24	7.31	-42.50
O=C([O-])C1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1C(F)(F)F	REAL300008006075	0	42	-1.0	-47.09	371.53	7.46	-39.63
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)C=C2)CC1	REAL300008006076	0	46	-1.0	-52.69	387.54	8.52	-44.17
CCC1=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C(C(=O)[O-])O1	REAL300008006077	0	42	-1.0	-52.25	365.78	6.55	-45.70
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006078	0	41	-1.0	-43.18	358.93	8.19	-34.99
O=C([O-])C1=CC2=CC(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)=CC=C2S1	REAL300008006079	0	42	-1.0	-50.83	379.29	8.14	-42.69
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006080	0	41	-1.0	-38.36	358.99	8.19	-30.17
CC1=NC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1C(=O)[O-]	REAL300008006081	0	41	-1.0	-45.84	352.85	5.36	-40.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006082	0	43	-1.0	-47.98	361.85	6.48	-41.50
COC1=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=CC=C1C(=O)[O-]	REAL300008006083	0	43	-1.0	-53.61	368.68	6.72	-46.89
COC1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C(CC(=O)[O-])=C1	REAL300008006084	0	46	-1.0	-56.75	383.34	7.12	-49.63
O=C([O-])CC1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1F	REAL300008006085	0	42	-1.0	-50.23	369.04	7.47	-42.76
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006086	0	42	-1.0	-45.51	380.13	7.64	-37.87
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1	REAL300008006087	0	48	-1.0	-50.04	396.32	8.33	-41.71
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006088	0	39	-1.0	-50.78	333.41	4.99	-45.79
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)C=CC=C12	REAL300008006089	0	45	-1.0	-50.40	377.78	8.86	-41.54
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006090	0	39	-1.0	-50.04	344.15	5.61	-44.43
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006091	0	39	-1.0	-42.85	352.11	8.14	-34.71
O=C([O-])C1=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=CC=C1Cl	REAL300008006092	0	39	-1.0	-50.33	353.92	7.04	-43.29
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006093	0	43	-1.0	-47.59	360.20	6.83	-40.76
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1OC	REAL300008006094	0	51	-1.0	-49.63	420.41	7.76	-41.87
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006095	0	39	-1.0	-50.78	333.41	4.99	-45.79
O=C([O-])C1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1C(=O)[O-]	REAL300008006096	0	41	-2.0	-134.83	368.27	7.61	-127.22
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006097	0	46	-1.0	-53.20	387.75	6.80	-46.40
O=C([O-])C1=CC=NC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006098	0	38	-1.0	-47.05	337.64	4.77	-42.28
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006099	0	42	-1.0	-55.12	355.18	7.81	-47.31
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006100	0	36	-1.0	-45.58	341.08	5.29	-40.29
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006100	1	35	-2.0	-94.56	338.85	4.93	-89.63
O=C([O-])C1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C2=CC=CC=C12	REAL300008006101	0	45	-1.0	-50.53	377.31	8.86	-41.67
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006102	0	46	-1.0	-54.16	380.91	7.30	-46.86
COC1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C(C(=O)[O-])=C1	REAL300008006103	0	43	-1.0	-49.90	360.15	6.81	-43.09
O=C([O-])C1=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=CC=N1	REAL300008006104	0	38	-1.0	-54.33	337.48	4.86	-49.47
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006105	0	39	-1.0	-53.52	344.87	4.25	-49.27
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)C=C2C=C1	REAL300008006106	0	45	-1.0	-51.68	387.32	8.91	-42.77
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C1	REAL300008006107	0	42	-1.0	-53.94	348.44	6.36	-47.58
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)S1	REAL300008006108	0	39	-1.0	-49.12	352.70	6.37	-42.75
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006109	0	45	-1.0	-52.14	376.56	9.79	-42.35
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006110	0	42	-1.0	-45.56	366.23	8.23	-37.33
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006111	0	42	-1.0	-55.75	353.29	8.08	-47.67
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1)=C2	REAL300008006112	0	39	-1.0	-48.02	371.14	7.23	-40.79
O=C([O-])C1=NC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=C2C=CC=CN21	REAL300008006113	0	42	-1.0	-65.57	367.80	5.28	-60.29
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)=C2C=C1	REAL300008006114	0	42	-1.0	-44.72	368.01	7.89	-36.83
O=C([O-])C1CCCCN1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006115	0	44	-1.0	-49.21	348.50	6.72	-42.49
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006116	0	41	-1.0	-57.41	341.22	5.80	-51.61
O=C([O-])C1=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C(Cl)S1	REAL300008006117	0	36	-1.0	-40.94	341.69	7.04	-33.90
CC1=CC(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)=CN=C1C(=O)[O-]	REAL300008006118	0	41	-1.0	-50.60	353.79	5.40	-45.20
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006119	0	42	-1.0	-55.75	353.29	8.08	-47.67
CCOC1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1C(=O)[O-]	REAL300008006120	0	46	-1.0	-58.17	390.55	7.62	-50.55
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)C=C2C1	REAL300008006121	0	46	-1.0	-48.01	385.94	8.52	-39.49
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1	REAL300008006122	0	38	-1.0	-43.44	326.28	5.71	-37.73
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC[C@@H]3C[C@H]3C3CC3)C=C2C=C1	REAL300008006123	0	44	-1.0	-54.98	383.16	7.03	-47.95
COC[C@H](NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300008006124	0	34	-1.0	-51.57	308.35	1.83	-49.74
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006125	0	41	-1.0	-45.50	344.87	3.98	-41.52
COC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300008006126	0	36	-1.0	-46.58	299.63	2.17	-44.41
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300008006127	0	32	-1.0	-42.69	301.57	2.89	-39.80
COC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008006128	0	33	-1.0	-44.99	293.99	1.64	-43.35
COC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008006129	0	35	-1.0	-55.39	326.89	-1.09	-56.48
COC[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008006130	0	33	-1.0	-42.68	312.19	1.18	-41.50
COC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300008006131	0	40	-1.0	-46.46	336.62	1.39	-45.07
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300008006132	0	32	-1.0	-42.22	297.56	2.79	-39.43
COC[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008006133	0	45	-1.0	-46.79	369.97	5.22	-41.57
COC[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008006134	0	35	-1.0	-48.53	310.67	0.55	-47.98
COC[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008006135	0	29	-1.0	-46.64	285.06	2.14	-44.50
COC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008006136	0	29	-1.0	-43.60	289.16	2.06	-41.54
COC[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006137	0	34	-1.0	-51.33	295.64	3.57	-47.76
COC[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008006138	0	35	-1.0	-43.74	325.67	3.34	-40.40
COC[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008006139	0	39	-1.0	-48.38	349.72	-2.08	-50.46
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300008006140	0	40	-1.0	-46.45	350.72	3.25	-43.20
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008006141	0	35	-1.0	-48.61	313.47	1.92	-46.69
COCC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006142	0	36	-1.0	-48.25	321.27	1.12	-47.13
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=N1	REAL300008006143	0	35	-1.0	-46.71	317.14	-0.96	-47.67
COC[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008006144	0	38	-1.0	-56.27	351.23	-0.40	-56.67
COC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008006145	0	34	-1.0	-50.44	312.67	-2.64	-53.08
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300008006146	0	39	-1.0	-45.63	322.10	2.08	-43.55
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008006147	0	34	-1.0	-43.73	306.45	1.73	-42.00
COC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008006148	0	32	-1.0	-42.20	308.74	2.67	-39.53
COC[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008006149	0	34	-1.0	-51.33	309.07	1.81	-49.52
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006150	0	46	-1.0	-45.77	404.20	0.57	-45.20
COC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300008006151	0	38	-1.0	-53.80	340.07	2.73	-51.07
CCN1N=C(C)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1C	REAL300008006152	0	38	-1.0	-50.42	326.57	1.32	-49.10
COC[C@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300008006153	0	38	-1.0	-55.15	327.14	3.19	-51.96
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008006154	0	41	-1.0	-47.62	318.30	3.71	-43.91
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300008006155	0	42	-1.0	-53.63	371.65	4.35	-49.28
COC[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008006156	0	37	-1.0	-54.50	332.66	0.80	-53.70
COC[C@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300008006157	0	35	-1.0	-43.78	329.29	2.42	-41.36
COC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300008006158	0	37	-1.0	-46.51	339.48	1.21	-45.30
COC[C@H](NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300008006159	0	37	-1.0	-44.23	330.11	1.19	-43.04
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300008006160	0	32	-1.0	-44.04	305.70	2.59	-41.45
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008006161	0	35	-1.0	-47.56	324.08	4.15	-43.41
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008006162	0	34	-1.0	-41.49	316.07	3.47	-38.02
COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008006163	0	33	-1.0	-48.02	313.58	1.06	-46.96
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008006164	0	36	-1.0	-46.75	317.31	3.07	-43.68
COC[C@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300008006165	0	44	-1.0	-49.54	360.59	2.45	-47.09
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008006166	0	32	-1.0	-47.32	300.29	2.28	-45.04
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006167	0	40	-1.0	-48.97	335.34	0.94	-48.03
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008011001	0	35	-1.0	-55.81	336.34	3.42	-52.39
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008011002	0	38	-1.0	-42.13	343.08	3.74	-38.39
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008011003	0	35	-1.0	-54.52	335.23	1.59	-52.93
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008011004	0	38	-1.0	-58.62	350.23	2.86	-55.76
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008011005	0	37	-1.0	-53.00	355.34	2.68	-50.32
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008011006	0	41	-1.0	-57.62	372.00	5.68	-51.94
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008011007	0	37	-1.0	-56.96	354.33	2.74	-54.22
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008011008	0	35	-1.0	-47.70	341.74	0.77	-46.93
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008011009	0	38	-1.0	-57.25	355.17	1.96	-55.29
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008011010	0	38	-1.0	-60.67	346.64	3.55	-57.12
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008011011	0	41	-1.0	-61.35	365.31	4.24	-57.11
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008011012	0	38	-1.0	-52.24	369.53	4.25	-47.99
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008011013	0	41	-1.0	-59.13	370.60	5.72	-53.41
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008011014	0	38	-1.0	-61.95	354.92	3.86	-58.09
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008011015	0	43	-1.0	-50.30	366.15	4.63	-45.67
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008011016	0	35	-1.0	-47.70	341.74	0.77	-46.93
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008011017	0	40	-1.0	-50.55	360.97	3.25	-47.30
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008011018	0	35	-1.0	-54.52	335.23	1.59	-52.93
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008011019	0	38	-1.0	-57.02	339.33	4.28	-52.74
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008011020	0	40	-1.0	-54.93	370.94	3.28	-51.65
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008011021	0	41	-1.0	-59.13	370.60	5.72	-53.41
CC1=CC(C(F)(F)F)=NN1CCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008011022	0	37	-1.0	-47.18	343.98	3.64	-43.54
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(F)=C2)S1	REAL300008011023	0	28	-1.0	-50.06	287.71	2.45	-47.61
CC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011024	0	33	-1.0	-56.88	324.05	2.87	-54.01
CCCCN(C)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011025	0	35	-1.0	-48.72	323.05	2.03	-46.69
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CS2)S1	REAL300008011026	0	25	-1.0	-48.65	273.21	1.39	-47.26
CCC(C)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011027	0	40	-1.0	-48.57	359.96	4.98	-43.59
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)S1	REAL300008011028	0	28	-1.0	-48.52	295.10	2.19	-46.33
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(Cl)S2)S1	REAL300008011029	0	25	-1.0	-47.15	290.25	2.01	-45.14
COC1=CC=C(C)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011030	0	35	-1.0	-50.40	323.22	2.87	-47.53
CC1=CC=C(Br)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011031	0	31	-1.0	-48.01	317.28	3.91	-44.10
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)S1	REAL300008011032	0	32	-1.0	-48.85	318.30	2.70	-46.15
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CCOCC2)S1	REAL300008011033	0	31	-1.0	-48.75	289.54	-0.90	-49.65
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011034	0	34	-1.0	-57.01	341.96	-0.09	-57.10
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300008011035	0	32	-1.0	-49.21	327.28	2.18	-47.03
COC1=CC(C)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1OC	REAL300008011036	0	39	-1.0	-50.40	354.66	2.49	-47.91
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011037	0	31	-1.0	-47.36	312.72	3.79	-43.57
CN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011038	0	28	-1.0	-51.86	285.83	0.10	-51.76
CN(C1CCCCC1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011039	0	39	-1.0	-47.65	333.68	2.75	-44.90
CC1=NN(C)C(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011040	0	34	-1.0	-50.70	317.98	1.41	-49.29
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)S1	REAL300008011041	0	44	-1.0	-48.40	383.12	6.19	-42.21
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)S1	REAL300008011042	0	34	-1.0	-51.65	325.76	1.54	-50.11
CCC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011043	0	34	-1.0	-48.87	324.15	3.83	-45.04
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC=C2Br)S1	REAL300008011044	0	28	-1.0	-50.00	297.75	3.13	-46.87
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(Br)=C2)S1	REAL300008011045	0	28	-1.0	-49.39	302.59	3.00	-46.39
CC1=NNC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011046	0	28	-1.0	-51.28	283.88	-0.63	-51.91
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011047	0	33	-1.0	-55.98	314.65	4.75	-51.23
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2=CC=CC(Cl)=C2)S1	REAL300008011048	0	34	-1.0	-52.46	343.27	4.40	-48.06
CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011049	0	38	-1.0	-61.56	364.60	-1.05	-62.61
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011050	0	39	-1.0	-52.36	363.90	4.23	-48.13
CC1=CC(F)=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011051	0	31	-1.0	-48.53	309.09	3.12	-45.41
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=CC=C3OC2)S1	REAL300008011052	0	34	-1.0	-51.07	326.99	2.89	-48.18
COCC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011053	0	35	-1.0	-50.19	336.33	2.12	-48.07
CCOC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011054	0	34	-1.0	-49.26	330.31	-0.00	-49.26
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011055	0	37	-1.0	-61.07	366.29	0.60	-60.47
CS(=O)(=O)CCCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011056	0	33	-1.0	-64.94	330.27	-1.58	-66.52
COC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=C1C	REAL300008011057	0	38	-1.0	-49.15	341.65	3.22	-45.93
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=C(Br)C=C2)S1	REAL300008011058	0	31	-1.0	-52.55	326.33	3.73	-48.82
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=CN=C3C=C2)S1	REAL300008011059	0	33	-1.0	-52.36	322.25	2.77	-49.59
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=NOC=C2)S1	REAL300008011060	0	27	-1.0	-55.47	280.03	0.38	-55.09
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=NN1C	REAL300008011061	0	31	-1.0	-51.12	304.11	0.64	-50.48
CS(=O)(=O)N1CCN(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)CC1	REAL300008011062	0	38	-1.0	-57.56	351.97	-2.05	-59.61
CN(C1CCOCC1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011063	0	37	-1.0	-48.70	328.31	0.45	-48.25
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CC3CCC2C3)S1	REAL300008011064	0	34	-1.0	-48.67	308.74	1.94	-46.73
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=NN1C1=CC=CC=N1	REAL300008011065	0	37	-1.0	-53.00	354.62	3.72	-49.28
CCN1N=C(C)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1C	REAL300008011066	0	37	-1.0	-50.42	339.79	2.28	-48.14
CC(C)N1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011067	0	34	-1.0	-51.61	326.05	1.47	-50.14
CC(C)CN1C=NC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011068	0	37	-1.0	-52.73	345.85	3.35	-49.38
CC(C)N1C=NC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011069	0	34	-1.0	-52.58	326.72	2.77	-49.81
CC(C)C1=NC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CN1	REAL300008011070	0	34	-1.0	-52.15	323.06	0.97	-51.18
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011071	0	40	-1.0	-48.82	333.77	4.90	-43.92
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011072	0	36	-1.0	-58.54	347.39	1.80	-56.74
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2CCCOC2)S1	REAL300008011073	0	35	-1.0	-53.13	315.07	1.11	-52.02
COC1=CC(Cl)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1OC	REAL300008011074	0	36	-1.0	-48.87	341.63	1.64	-47.23
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1Br	REAL300008011075	0	31	-1.0	-48.47	320.79	3.57	-44.90
CC1=C(F)C=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011076	0	31	-1.0	-48.97	301.17	3.32	-45.65
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)S1	REAL300008011077	0	34	-1.0	-48.94	336.66	5.17	-43.77
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)S1	REAL300008011078	0	32	-1.0	-51.31	326.75	2.03	-49.28
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)S1	REAL300008011079	0	35	-1.0	-51.07	338.56	4.07	-47.00
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011080	0	43	-1.0	-50.05	374.05	3.39	-46.66
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(C(F)F)C=C2)S1	REAL300008011081	0	31	-1.0	-51.28	315.43	3.32	-47.96
COCC1=CC=C(OC)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011082	0	39	-1.0	-51.72	356.88	1.92	-49.80
COCCC(C)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011083	0	34	-1.0	-51.44	315.25	0.77	-50.67
COC1=CC=C(F)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011084	0	32	-1.0	-50.30	308.20	2.27	-48.03
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011085	0	39	-1.0	-51.63	360.65	2.54	-49.09
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)S1	REAL300008011086	0	46	-1.0	-47.88	368.34	4.07	-43.81
CC1=NC2=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=CC=C2C=C1	REAL300008011087	0	36	-1.0	-53.81	334.51	4.06	-49.75
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])S1	REAL300008011088	0	36	-1.0	-56.58	346.06	4.28	-52.30
CCN(CC1CC1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011089	0	36	-1.0	-47.69	326.50	2.62	-45.07
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(C3CCOCC3)N=C2)S1	REAL300008011090	0	39	-1.0	-51.06	358.44	0.93	-50.13
CCCN1C=NC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011091	0	34	-1.0	-52.87	328.60	3.14	-49.73
COCCOCCOCCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011092	0	42	-1.0	-54.64	389.76	-0.31	-54.95
O=C([O-])C1=CN=C(CNS(=O)(=O)CCOCC2CC2)S1	REAL300008011093	0	35	-1.0	-50.89	332.33	1.69	-49.20
CC(COC1CCCC1)CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011094	0	44	-1.0	-52.02	381.85	3.77	-48.25
COCC(C)CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011095	0	34	-1.0	-52.35	315.30	0.69	-51.66
CCOCC(C)CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011096	0	37	-1.0	-52.34	337.16	1.67	-50.67
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011097	0	35	-1.0	-49.15	349.50	2.69	-46.46
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(C3CCOC3)N=C2)S1	REAL300008011098	0	36	-1.0	-51.52	339.34	0.13	-51.39
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)S1	REAL300008011099	0	32	-1.0	-49.42	317.96	2.54	-46.88
COC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CC=C1[N+](=O)[O-]	REAL300008011100	0	34	-1.0	-52.07	336.82	3.13	-48.94
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011101	0	34	-1.0	-47.62	334.74	4.29	-43.33
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011102	0	34	-1.0	-48.62	334.72	4.30	-44.32
CC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CC=C1C(F)(F)F	REAL300008011103	0	34	-1.0	-48.26	335.71	3.90	-44.36
CC(C)C1=CC=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011104	0	37	-1.0	-48.74	335.17	4.48	-44.26
O=C([O-])C1=CN=C(CNS(=O)(=O)CCCN2CCOCC2)S1	REAL300008011105	0	40	-1.0	-53.25	354.96	-0.65	-53.90
CCOC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011106	0	35	-1.0	-50.99	332.64	2.61	-48.38
COCCN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011107	0	35	-1.0	-51.54	341.03	0.00	-51.54
CC(C)(C)CCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011108	0	36	-1.0	-50.83	321.86	2.56	-48.27
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)S1	REAL300008011109	0	35	-1.0	-54.20	345.62	2.93	-51.27
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)S1	REAL300008011110	0	36	-1.0	-57.01	354.76	4.56	-52.45
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=CC=C3N=C2)S1	REAL300008011111	0	33	-1.0	-51.49	322.48	2.76	-48.73
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=CC(Br)=C2)S1	REAL300008011112	0	31	-1.0	-52.70	326.34	3.72	-48.98
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=CC=C2Br)S1	REAL300008011113	0	31	-1.0	-52.26	321.83	3.66	-48.60
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)S1	REAL300008011114	0	35	-1.0	-63.12	345.89	0.25	-62.87
CC1CCN(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C1	REAL300008011115	0	33	-1.0	-48.49	305.85	1.32	-47.17
CC1=CC(Br)=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011116	0	31	-1.0	-47.97	323.98	3.67	-44.30
CC1=C(Br)C=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011117	0	31	-1.0	-48.38	313.92	3.80	-44.58
COCC1=CC=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011118	0	35	-1.0	-48.75	327.81	2.51	-46.24
COC1=CC(OC)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1Cl	REAL300008011119	0	36	-1.0	-50.76	347.28	2.08	-48.68
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)S1	REAL300008011120	0	31	-1.0	-54.38	325.24	1.46	-52.92
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(CC(F)F)N=C2)S1	REAL300008011121	0	31	-1.0	-53.17	320.35	1.23	-51.94
CC1(C)CC2=CC(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)=CC=C2O1	REAL300008011122	0	39	-1.0	-49.80	358.73	3.63	-46.17
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)S1	REAL300008011123	0	31	-1.0	-50.76	315.28	1.38	-49.38
CSC1=CC=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011124	0	32	-1.0	-50.43	305.49	2.55	-47.88
CCC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011125	0	34	-1.0	-49.14	324.18	3.82	-45.32
CCC1=CC=C(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011126	0	37	-1.0	-52.41	347.93	4.54	-47.87
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2=CC=CS2)S1	REAL300008011127	0	31	-1.0	-51.26	316.77	2.98	-48.28
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011128	0	37	-1.0	-57.33	363.45	0.81	-56.52
CC1=CC=C(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1C	REAL300008011129	0	37	-1.0	-52.78	343.46	4.31	-48.47
CC(C)CN(C)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011130	0	35	-1.0	-48.55	320.59	2.00	-46.55
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)S1	REAL300008011131	0	32	-1.0	-49.07	328.28	2.99	-46.08
CN(C1CCCC1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011132	0	36	-1.0	-48.35	319.45	2.19	-46.16
CC1(C)CN(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)CCO1	REAL300008011133	0	37	-1.0	-48.26	327.46	0.59	-47.67
CC1=NOC(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011134	0	30	-1.0	-56.43	301.96	1.26	-55.17
CC(C)N1N=CC2=CC(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)=CC=C21	REAL300008011135	0	40	-1.0	-51.72	372.00	3.92	-47.80
CCS(=O)(=O)NCCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011136	0	35	-1.0	-60.28	345.14	-2.87	-63.15
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)OC2=CC=C(F)C=C12	REAL300008011137	0	34	-1.0	-48.48	332.77	3.62	-44.86
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)S1	REAL300008011138	0	31	-1.0	-48.21	336.92	4.32	-43.89
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)S1	REAL300008011139	0	31	-1.0	-48.61	324.09	3.79	-44.82
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)S1	REAL300008011140	0	34	-1.0	-52.86	338.98	5.25	-47.61
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2CCCO2)S1	REAL300008011141	0	35	-1.0	-51.61	323.04	1.19	-50.42
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)S1	REAL300008011142	0	34	-1.0	-50.97	342.25	4.17	-46.80
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2=CC=C3OCCC3=C2)S1	REAL300008011143	0	39	-1.0	-54.11	362.43	3.74	-50.37
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C2=CC=CC(C)=C2S1	REAL300008011144	0	37	-1.0	-48.36	352.37	5.37	-42.99
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1N(C)C	REAL300008011145	0	39	-1.0	-49.07	355.89	3.04	-46.03
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=C3OCCCN3N=C2)S1	REAL300008011146	0	33	-1.0	-52.26	314.15	-0.68	-52.94
O=C([O-])C1=CN=C(CNS(=O)(=O)CCOCC2CCCC2)S1	REAL300008011147	0	41	-1.0	-50.60	366.02	2.85	-47.75
COC1=CC(C)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1Cl	REAL300008011148	0	35	-1.0	-49.06	342.35	3.02	-46.04
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011149	0	37	-1.0	-62.97	365.74	0.62	-62.35
CSC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1Cl	REAL300008011150	0	32	-1.0	-50.29	336.49	3.86	-46.43
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011151	0	40	-1.0	-50.54	355.11	2.86	-47.68
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)S1	REAL300008011152	0	36	-1.0	-52.88	352.44	0.94	-51.94
CCC1=NOC2=NC=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=C12	REAL300008011153	0	35	-1.0	-53.58	342.52	0.09	-53.49
CN1N=CC2=CC(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)=CN=C21	REAL300008011154	0	33	-1.0	-52.86	325.63	1.52	-51.34
CCC1=CC(CC)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(CC)=C1	REAL300008011155	0	46	-1.0	-46.66	380.95	7.01	-39.65
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN3CCCCC3=N2)S1	REAL300008011156	0	35	-1.0	-53.07	325.05	2.57	-50.50
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)S1	REAL300008011157	0	34	-1.0	-49.78	349.88	0.47	-49.31
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)S1	REAL300008011158	0	37	-1.0	-56.17	347.78	6.17	-50.00
COC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=C1F	REAL300008011159	0	35	-1.0	-50.58	330.48	2.62	-47.96
CC1(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)CCCCC1	REAL300008011160	0	40	-1.0	-50.28	331.12	3.90	-46.38
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=CC=C3OCC2)S1	REAL300008011161	0	37	-1.0	-49.82	342.36	3.85	-45.97
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011162	0	46	0.0	-79.98	397.74	3.58	-76.40
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)S1	REAL300008011163	0	36	-1.0	-51.10	350.73	3.65	-47.45
CN1N=NC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011164	0	27	-1.0	-50.56	274.70	-1.16	-51.72
COCC1=CC(Cl)=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011165	0	35	-1.0	-49.09	353.08	2.62	-46.47
CC1=CC=C(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(F)=C1	REAL300008011166	0	34	-1.0	-52.94	331.76	3.80	-49.14
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011167	0	40	0.0	-80.29	359.65	4.29	-76.00
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)S2)S1	REAL300008011168	0	28	-1.0	-47.58	313.85	2.58	-45.00
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2CC3=CC=CC=C3C2)S1	REAL300008011169	0	41	-1.0	-53.38	370.03	5.67	-47.71
CC(C)(C)C1=CC(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=NO1	REAL300008011170	0	39	-1.0	-54.99	363.16	3.12	-51.87
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2CCC2)S1	REAL300008011171	0	34	-1.0	-51.11	314.87	2.95	-48.16
CC(C)(C)CCCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011172	0	39	-1.0	-51.05	343.36	3.33	-47.72
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2CCCS(=O)(=O)C2)S1	REAL300008011173	0	37	-1.0	-61.50	342.42	-0.44	-61.94
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)S1	REAL300008011174	0	31	-1.0	-49.30	317.46	2.84	-46.46
CC1=C(CCS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)SC=N1	REAL300008011175	0	33	-1.0	-52.91	330.51	1.63	-51.28
COCC1(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)CC1	REAL300008011176	0	32	-1.0	-52.29	307.03	1.41	-50.88
O=C([O-])C1=CN=C(CNS(=O)(=O)CC23CCC(CC2)C3)S1	REAL300008011177	0	38	-1.0	-50.99	329.62	3.78	-47.21
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2CC(F)(F)C2)S1	REAL300008011178	0	31	-1.0	-53.91	306.56	2.35	-51.56
COC1=CC=C2C=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)CCC2=C1	REAL300008011179	0	40	-1.0	-50.57	365.21	4.09	-46.48
O=C([O-])C1=CN=C(CNS(=O)(=O)CC23CCC(CC2)CC3)S1	REAL300008011180	0	41	-1.0	-50.55	338.70	4.41	-46.14
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2CCOC2)S1	REAL300008011181	0	35	-1.0	-53.05	321.82	0.92	-52.13
CC(C)(CCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1)S(C)(=O)=O	REAL300008011182	0	39	-1.0	-58.91	354.53	-0.51	-59.42
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2CCCCC2(F)F)S1	REAL300008011183	0	37	-1.0	-50.30	334.33	3.53	-46.77
O=C([O-])C1=CN=C(CNS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)S1	REAL300008011184	0	35	-1.0	-51.30	331.98	4.51	-46.79
CN1C=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=N1	REAL300008011185	0	28	-1.0	-52.30	284.11	-0.02	-52.32
CCC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300008011186	0	36	-1.0	-51.66	343.68	4.20	-47.46
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(Cl)C=C2)S1	REAL300008011187	0	28	-1.0	-48.22	297.99	2.91	-45.31
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(Br)C=C2)S1	REAL300008011188	0	28	-1.0	-48.21	302.55	3.01	-45.20
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300008011189	0	30	-1.0	-50.48	309.48	3.06	-47.42
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)S1	REAL300008011190	0	34	-1.0	-50.23	327.23	4.67	-45.56
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300008011191	0	30	-1.0	-53.89	309.51	3.06	-50.83
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011192	0	33	-1.0	-51.27	324.21	3.97	-47.30
COC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011193	0	32	-1.0	-49.78	310.75	1.69	-48.09
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S1	REAL300008011194	0	30	-1.0	-56.90	298.81	3.88	-53.02
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S1	REAL300008011194	1	29	-2.0	-109.03	300.14	3.66	-105.37
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011195	0	31	-1.0	-49.17	302.70	3.06	-46.11
CCOC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011196	0	35	-1.0	-49.59	332.63	2.61	-46.98
CC1=CC(C)=C(C)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1C	REAL300008011197	0	40	-1.0	-47.69	341.85	4.96	-42.73
CC1=CC(C)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=C1	REAL300008011198	0	37	-1.0	-47.64	325.38	4.41	-43.23
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011199	0	43	-1.0	-48.22	372.19	5.62	-42.60
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)S1	REAL300008011200	0	31	-1.0	-50.31	320.01	3.38	-46.93
CC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011201	0	31	-1.0	-49.30	302.70	3.04	-46.26
O=C([O-])C1=CN=C(CNS(=O)(=O)C=CC2=CC=CC=C2)S1	REAL300008011202	0	32	-1.0	-50.07	313.19	3.57	-46.50
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)S1	REAL300008011203	0	31	-1.0	-51.74	306.23	3.95	-47.79
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(Cl)=C2)S1	REAL300008011204	0	28	-1.0	-49.46	298.03	2.90	-46.56
CC(=O)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011205	0	33	-1.0	-53.28	324.01	2.88	-50.40
CC1=CC=C(C)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011206	0	34	-1.0	-48.58	317.40	3.96	-44.62
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1C	REAL300008011207	0	34	-1.0	-49.21	319.71	3.59	-45.62
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=C1	REAL300008011208	0	34	-1.0	-48.53	317.41	3.96	-44.57
COC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300008011209	0	34	-1.0	-54.13	336.80	3.13	-51.00
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011210	0	40	-1.0	-48.55	357.47	4.71	-43.84
CC(C)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011211	0	37	-1.0	-48.70	341.49	4.32	-44.38
CCCC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011212	0	37	-1.0	-48.77	345.65	4.61	-44.16
COC1=CC=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011213	0	32	-1.0	-50.53	301.77	2.21	-48.32
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=CC=C2)S1	REAL300008011214	0	31	-1.0	-52.56	305.03	3.10	-49.46
CC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CC=C1Br	REAL300008011215	0	31	-1.0	-47.99	320.77	3.57	-44.42
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)S1	REAL300008011216	0	32	-1.0	-48.16	327.25	2.18	-45.98
CC1=C(C)C(C)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=C1C	REAL300008011217	0	43	-1.0	-48.18	355.15	5.41	-42.77
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3OCCCOC3=C2)S1	REAL300008011218	0	37	-1.0	-50.86	344.12	2.33	-48.53
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011219	0	44	-1.0	-50.05	378.02	4.54	-45.51
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300008011220	0	33	-1.0	-53.74	325.51	3.58	-50.16
CC1=NNC(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011221	0	31	-1.0	-50.29	297.49	0.21	-50.08
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011222	0	46	-1.0	-47.13	380.18	6.07	-41.06
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300008011223	0	31	-1.0	-48.62	320.03	3.39	-45.23
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3CCCCC3=C2)S1	REAL300008011224	0	38	-1.0	-49.11	344.02	4.86	-44.25
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COC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1Cl	REAL300008011288	0	32	-1.0	-50.71	326.80	2.25	-48.46
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CCOC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300008011325	0	41	-1.0	-50.77	372.47	5.02	-45.75
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011326	0	38	-1.0	-50.09	345.08	3.79	-46.30
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)S1	REAL300008011327	0	33	-1.0	-61.04	329.57	2.56	-58.48
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)S1	REAL300008011328	0	35	-1.0	-52.32	341.84	3.51	-48.81
CCOCCOC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011329	0	42	-1.0	-51.58	388.08	2.85	-48.73
CCCCCOC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011330	0	44	-1.0	-49.11	397.10	4.97	-44.14
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=C2CCCC3)S1	REAL300008011331	0	38	-1.0	-48.68	336.94	5.07	-43.61
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)S1	REAL300008011332	0	34	-1.0	-53.34	329.74	4.20	-49.14
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)S1	REAL300008011333	0	32	-1.0	-48.18	337.64	3.85	-44.33
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3COCC3=C2)S1	REAL300008011334	0	33	-1.0	-50.04	317.25	1.69	-48.35
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=CC3=CC=CN=C32)S1	REAL300008011335	0	36	-1.0	-57.24	344.93	3.65	-53.59
O=C([O-])C1=CN=C(CNS(=O)(=O)C2CCS(=O)(=O)CC2)S1	REAL300008011336	0	34	-1.0	-61.22	325.26	-1.14	-62.36
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)S1	REAL300008011337	0	33	-1.0	-56.70	329.53	2.57	-54.13
CCOC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=C1	REAL300008011338	0	38	-1.0	-48.90	347.31	3.51	-45.39
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011339	0	36	-1.0	-54.29	357.89	-1.45	-55.74
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC=C2OC(F)F)S1	REAL300008011340	0	32	-1.0	-50.48	311.57	2.48	-48.00
CSC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011341	0	32	-1.0	-49.40	321.45	3.41	-45.99
CCCCCCCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011342	0	39	-1.0	-51.17	352.62	3.98	-47.19
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300008011343	0	34	-1.0	-53.62	344.10	4.12	-49.50
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011344	0	39	-1.0	-50.71	351.19	4.16	-46.55
CCN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)N=C1C	REAL300008011345	0	34	-1.0	-55.55	326.82	2.17	-53.38
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=C2OCCO3)S1	REAL300008011346	0	34	-1.0	-50.56	315.73	1.94	-48.62
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=NC=CC=C23)S1	REAL300008011347	0	33	-1.0	-51.12	317.41	2.85	-48.27
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2CCCO2)S1	REAL300008011348	0	32	-1.0	-54.37	300.73	0.72	-53.65
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2CCCCO2)S1	REAL300008011349	0	35	-1.0	-52.63	319.22	1.42	-51.21
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1C(F)(F)F	REAL300008011350	0	34	-1.0	-49.01	335.72	3.91	-45.10
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)S1	REAL300008011351	0	34	-1.0	-51.89	354.10	3.12	-48.77
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)S1	REAL300008011352	0	37	-1.0	-51.52	346.09	3.99	-47.53
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=C12	REAL300008011353	0	36	-1.0	-52.61	347.60	2.10	-50.51
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011354	0	35	-1.0	-52.79	349.94	2.98	-49.81
COCC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011355	0	35	-1.0	-50.73	336.35	2.11	-48.62
CC1(C)CC2=CC=CC(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)=C2O1	REAL300008011356	0	39	-1.0	-50.80	349.07	3.53	-47.27
CCN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011357	0	31	-1.0	-51.64	307.36	0.95	-50.69
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=CC=C2Cl)S1	REAL300008011358	0	31	-1.0	-52.58	318.60	3.54	-49.04
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)S1	REAL300008011359	0	35	-1.0	-53.17	351.04	2.90	-50.27
CC(C1CC1)N(C)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011360	0	36	-1.0	-47.56	321.89	2.26	-45.30
CN1N=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011361	0	28	-1.0	-49.37	281.52	0.02	-49.35
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)S1	REAL300008011362	0	31	-1.0	-51.12	331.99	4.00	-47.12
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2CCOC2)S1	REAL300008011363	0	32	-1.0	-52.97	299.59	0.23	-52.74
CC1CC2=CC(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)=CC=C2O1	REAL300008011364	0	36	-1.0	-50.01	338.20	2.97	-47.04
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011365	0	40	-1.0	-47.45	338.83	5.56	-41.89
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)S1	REAL300008011366	0	34	-1.0	-49.97	345.03	3.24	-46.73
COCCN(C)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011367	0	33	-1.0	-48.97	310.29	-0.30	-49.27
CN(CC1CC1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011368	0	33	-1.0	-47.64	301.85	1.59	-46.05
CC1=NC(C2=CC=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=C2)=CO1	REAL300008011369	0	37	-1.0	-54.25	357.68	1.46	-52.79
CN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C(F)(F)F)=N1	REAL300008011370	0	31	-1.0	-54.09	320.86	1.35	-52.74
CN1C=C(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)C(C(F)(F)F)=N1	REAL300008011370	1	30	-2.0	-100.08	319.03	0.91	-99.17
CC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C(C)O1	REAL300008011371	0	31	-1.0	-49.20	306.05	1.90	-47.30
CC1=CSC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011372	0	28	-1.0	-48.20	294.85	2.05	-46.15
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=CC=C3O2)S1	REAL300008011373	0	31	-1.0	-50.70	311.04	2.77	-47.93
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3OCOC3=C2)S1	REAL300008011374	0	31	-1.0	-51.23	307.33	1.05	-50.18
COC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011375	0	31	-1.0	-49.43	308.45	-0.93	-50.36
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN=C3CCCN23)S1	REAL300008011376	0	32	-1.0	-54.14	303.30	1.59	-52.55
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)SC=C1	REAL300008011377	0	28	-1.0	-48.71	287.86	1.88	-46.83
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3OCCCC3=C2)S1	REAL300008011378	0	36	-1.0	-49.86	334.99	3.01	-46.85
O=C([O-])C1=CN=C(CNS(=O)(=O)C2CC3=CC=CC=C3C2)S1	REAL300008011379	0	35	-1.0	-51.01	320.34	3.96	-47.05
CC1=CC=C(N2C=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=N2)C=C1	REAL300008011380	0	38	-1.0	-52.53	363.25	4.17	-48.36
CC1CC2=CC(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)=CC(Cl)=C2O1	REAL300008011381	0	36	-1.0	-50.43	355.06	3.51	-46.92
CC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CC=C1[N+](=O)[O-]	REAL300008011382	0	33	-1.0	-50.06	325.49	3.57	-46.49
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011383	0	39	-1.0	-54.83	369.02	3.14	-51.69
CC1=NN(C)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011384	0	31	-1.0	-51.85	304.97	0.72	-51.13
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)O1	REAL300008011385	0	28	-1.0	-49.51	285.88	1.20	-48.31
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)N(C)N=C1	REAL300008011386	0	31	-1.0	-48.51	297.14	0.90	-47.61
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN=C3C=CSC3=C2)S1	REAL300008011387	0	30	-1.0	-50.67	313.27	1.88	-48.79
CN(C)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011388	0	36	-1.0	-50.15	332.75	2.79	-47.36
CC1=CC2=CC=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=C2C=C1	REAL300008011389	0	37	-1.0	-50.14	348.58	5.32	-44.82
COC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)SC=C1	REAL300008011390	0	29	-1.0	-51.83	301.59	1.42	-50.41
CN(C)C1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011391	0	36	-1.0	-50.14	332.41	2.77	-47.37
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=C2OCC3)S1	REAL300008011392	0	33	-1.0	-50.86	310.98	2.26	-48.60
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=NOC3=CC=CC=C32)S1	REAL300008011393	0	33	-1.0	-57.34	328.39	2.45	-54.89
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3CCOC3=C2)S1	REAL300008011394	0	33	-1.0	-51.70	317.08	2.23	-49.47
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2=CC=C(Cl)C=C2)S1	REAL300008011395	0	34	-1.0	-52.26	343.27	4.41	-47.85
CN1CCCC2=CC=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=C21	REAL300008011396	0	40	-1.0	-50.29	355.51	2.93	-47.36
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)S1	REAL300008011397	0	30	-1.0	-49.65	316.00	1.62	-48.03
COC1=CC=CC(OC)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011398	0	36	-1.0	-53.45	335.27	2.90	-50.55
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011399	0	36	-1.0	-50.63	339.94	4.46	-46.17
CC1=CC=C(C)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1[N+](=O)[O-]	REAL300008011400	0	36	-1.0	-56.80	337.45	5.36	-51.44
CC1=CC(C)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300008011401	0	36	-1.0	-51.17	340.43	4.49	-46.68
COC1=CC=C(CCS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011402	0	38	-1.0	-53.35	356.04	3.18	-50.17
COC1=CN=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011403	0	31	-1.0	-50.22	305.86	-0.14	-50.36
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)S1	REAL300008011404	0	37	-1.0	-47.92	354.27	4.03	-43.89
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(C3CC3)C=C2)S1	REAL300008011405	0	35	-1.0	-48.83	330.50	4.48	-44.35
COC1=CC(OC)=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011406	0	36	-1.0	-51.04	340.26	0.99	-50.05
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2CCCCC2)S1	REAL300008011407	0	40	-1.0	-51.03	347.32	4.06	-46.97
CC1=CC=C(CCS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011408	0	37	-1.0	-51.75	347.94	4.57	-47.18
CC1=CC2=C(C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1)OCO2	REAL300008011409	0	34	-1.0	-49.61	321.98	1.96	-47.65
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=C3OC=CC3=CC=C2)S1	REAL300008011410	0	31	-1.0	-51.21	303.38	2.57	-48.64
COC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300008011411	0	32	-1.0	-48.86	326.82	2.24	-46.62
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2CCCC2)S1	REAL300008011412	0	37	-1.0	-51.11	331.74	3.51	-47.60
CN1C=NC2=CC(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)=CC=C21	REAL300008011413	0	34	-1.0	-56.21	329.56	3.73	-52.48
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C2=NC=CC=C2C=C1	REAL300008011414	0	36	-1.0	-54.47	335.09	4.18	-50.29
CC1=NC2=CC=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=C2O1	REAL300008011415	0	33	-1.0	-51.88	324.93	0.05	-51.83
CCC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1CC	REAL300008011416	0	40	-1.0	-48.71	358.34	4.96	-43.75
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011417	0	36	-1.0	-47.89	332.20	4.40	-43.49
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011418	0	38	-1.0	-50.06	344.84	4.15	-45.91
CC1=C(C)SC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011419	0	31	-1.0	-48.46	314.93	2.80	-45.66
NC1=NC=C(Cl)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011420	0	29	-1.0	-47.91	303.46	0.27	-47.64
CC1=NC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)S1	REAL300008011421	0	27	-1.0	-49.15	289.81	0.22	-48.93
CCC1=NC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)S1	REAL300008011422	0	30	-1.0	-48.68	311.29	0.97	-47.71
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(N)=NO1	REAL300008011423	0	29	-1.0	-48.55	288.82	-0.26	-48.81
CC1=C(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)C(N)=NO1	REAL300008011423	1	28	-2.0	-91.45	286.58	-0.62	-92.07
CN(C)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011424	0	35	-1.0	-50.73	330.05	2.20	-48.53
CC1=CC(C)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)S1	REAL300008011425	0	31	-1.0	-48.65	309.74	2.68	-45.97
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)S1	REAL300008011426	0	34	-1.0	-52.79	312.93	3.65	-49.14
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=C2OCO3)S1	REAL300008011427	0	31	-1.0	-50.65	301.62	0.95	-49.70
CC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CC(C)=C1F	REAL300008011428	0	34	-1.0	-48.23	328.31	3.72	-44.51
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)S1	REAL300008011429	0	35	-1.0	-54.67	337.27	2.14	-52.53
O=C([O-])C1=CN=C(CNS(=O)(=O)CCCOCC2=CC=CC=C2)S1	REAL300008011430	0	41	-1.0	-54.69	382.06	3.94	-50.75
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CNC3=CC=CC(F)=C23)S1	REAL300008011431	0	32	-1.0	-56.60	319.72	2.45	-54.15
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=C3N=CSC3=CC=C2)S1	REAL300008011432	0	30	-1.0	-52.09	305.62	2.14	-49.95
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011433	0	30	-1.0	-49.86	297.88	1.21	-48.65
CC1=NC(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CS1	REAL300008011434	0	30	-1.0	-53.95	311.62	0.78	-53.17
COC(CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1)C1CC1	REAL300008011435	0	35	-1.0	-51.41	323.47	1.73	-49.68
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=C(Cl)C=C2)S1	REAL300008011436	0	31	-1.0	-52.55	321.77	3.62	-48.93
CC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300008011437	0	31	-1.0	-48.03	316.74	3.49	-44.54
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)S1	REAL300008011438	0	34	-1.0	-54.48	329.40	3.37	-51.11
CC1=CSC(C2=CC=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=C2)=N1	REAL300008011439	0	37	-1.0	-50.74	367.52	3.86	-46.88
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=C2OCCC3)S1	REAL300008011440	0	36	-1.0	-50.56	324.63	3.57	-46.99
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)S1	REAL300008011441	0	35	-1.0	-57.10	346.40	0.24	-56.86
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=C2OCCCO3)S1	REAL300008011442	0	37	-1.0	-50.15	335.23	2.69	-47.46
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC(F)=CC=C2Cl)S1	REAL300008011443	0	31	-1.0	-51.26	324.92	3.60	-47.66
CCC(C)OC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011444	0	41	-1.0	-50.83	371.32	4.05	-46.78
COC(CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1)C1CCCC1	REAL300008011445	0	41	-1.0	-49.68	355.09	2.64	-47.04
COC(CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1)C1CCCCC1	REAL300008011446	0	44	-1.0	-49.60	371.67	3.17	-46.43
CC1(C)CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)CO1	REAL300008011447	0	35	-1.0	-50.91	321.12	1.00	-49.91
CCOC(CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1)C1CC1	REAL300008011448	0	38	-1.0	-51.40	345.36	2.69	-48.71
CCCOC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1C(C)C	REAL300008011449	0	47	-1.0	-49.04	412.73	5.44	-43.60
CCC1=NC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CN1CC1CC1	REAL300008011450	0	41	-1.0	-52.42	377.97	4.48	-47.94
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN=C(C3CC3)S2)S1	REAL300008011451	0	31	-1.0	-48.71	321.02	1.89	-46.82
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CN=C(C3CC3)S2)S1	REAL300008011451	1	30	-2.0	-96.88	318.79	1.51	-95.37
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=C1[N+](=O)[O-]	REAL300008011452	0	36	-1.0	-51.81	345.40	4.72	-47.09
CN1N=CC(C2CC2)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011453	0	35	-1.0	-47.97	327.86	2.27	-45.70
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)S1	REAL300008011454	0	41	-1.0	-49.38	382.26	4.71	-44.67
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011455	0	31	-1.0	-48.40	322.89	1.00	-47.40
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)S1	REAL300008011456	0	38	-1.0	-52.07	347.38	5.80	-46.27
CCC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C(C)C=C1OC	REAL300008011457	0	41	-1.0	-48.84	367.14	4.07	-44.77
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)=N1	REAL300008011458	0	29	-2.0	-109.48	306.14	0.99	-108.49
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=N1	REAL300008011458	1	30	-1.0	-55.20	305.86	1.26	-53.94
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C2=CC=CC=C2C=C1	REAL300008011459	0	37	-1.0	-49.64	331.99	5.45	-44.19
CC(C)OC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011460	0	37	-1.0	-49.68	350.45	0.94	-48.74
COC1=C(F)C=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011461	0	32	-1.0	-48.70	305.95	2.49	-46.21
CCOC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1C(C)C	REAL300008011462	0	44	-1.0	-48.94	391.24	4.64	-44.30
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1F	REAL300008011463	0	40	-1.0	-48.37	359.52	4.62	-43.75
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)S1	REAL300008011464	0	47	-1.0	-51.94	406.90	6.91	-45.03
CN1N=C2CCCCC2=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011465	0	38	-1.0	-48.60	340.25	2.42	-46.18
CN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C(C)(C)C)=N1	REAL300008011466	0	40	-1.0	-51.44	351.60	2.68	-48.76
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(C3CCCC3)N=C2)S1	REAL300008011467	0	38	-1.0	-50.86	348.69	2.73	-48.13
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011468	0	31	-1.0	-46.86	306.52	1.02	-45.84
COC1=CC=C(F)C=C1CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011469	0	35	-1.0	-53.31	339.62	2.53	-50.78
C=CCCC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011470	0	38	-1.0	-48.96	358.46	5.17	-43.79
CCC1=NN(C)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011471	0	34	-1.0	-51.49	325.54	1.49	-50.00
O=C([O-])C1=CN=C(CNS(=O)(=O)C=CC2=CC=CC(Cl)=C2)S1	REAL300008011472	0	32	-1.0	-50.18	329.92	4.09	-46.09
CCCOC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1CC	REAL300008011473	0	44	-1.0	-48.88	395.82	4.90	-43.98
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011474	0	34	-1.0	-46.61	324.12	4.39	-42.22
O=C([O-])C1=CN=C(CNS(=O)(=O)CCCC2CC2)S1	REAL300008011475	0	34	-1.0	-51.41	319.74	3.21	-48.20
O=C([O-])C1=CN=C(CNS(=O)(=O)C=CC2=CC=CC=C2Cl)S1	REAL300008011476	0	32	-1.0	-51.17	327.43	4.00	-47.17
CCCC1=CC=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011477	0	37	-1.0	-48.38	334.08	4.94	-43.44
COC1=NC=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011478	0	31	-1.0	-50.40	299.61	-0.40	-50.80
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC3=CC=NC=C32)S1	REAL300008011479	0	33	-1.0	-54.16	317.45	2.93	-51.23
CC1=NC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)N1C	REAL300008011480	0	31	-1.0	-50.68	300.43	1.44	-49.24
CC1=CSC(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011481	0	31	-1.0	-47.20	304.72	3.09	-44.11
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(C3CCC3)N=C2)S1	REAL300008011482	0	35	-1.0	-50.69	331.18	2.06	-48.63
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=NN2C2CCC2)S1	REAL300008011483	0	35	-1.0	-49.89	323.69	1.97	-47.92
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=NN2CC2CCC2)S1	REAL300008011484	0	38	-1.0	-48.18	350.69	2.98	-45.20
CC1(C)COC2=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=NN2C1	REAL300008011485	0	39	-1.0	-51.27	352.19	0.44	-50.83
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)S1	REAL300008011486	0	34	-1.0	-49.71	348.12	3.29	-46.42
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN=C3CCCCN23)S1	REAL300008011487	0	35	-1.0	-51.89	326.22	2.37	-49.52
COC1=CC(C(C)C)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1C	REAL300008011488	0	44	-1.0	-48.82	384.75	4.51	-44.31
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011489	0	38	-1.0	-49.52	347.92	3.81	-45.71
CC1CC2=CC=CC(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)=C2O1	REAL300008011490	0	36	-1.0	-50.84	328.56	2.89	-47.95
CC(C)(C)C1=NC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)S1	REAL300008011491	0	36	-1.0	-48.42	349.95	2.05	-46.37
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)S1	REAL300008011492	0	34	-1.0	-50.91	333.35	2.95	-47.96
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)S1	REAL300008011492	1	33	-2.0	-104.29	332.72	2.65	-101.64
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011493	0	33	-1.0	-58.03	321.97	2.00	-56.03
CCN1N=NC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011494	0	30	-1.0	-49.50	295.21	-0.28	-49.78
O=C([O-])C1=CN=C(CNS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)S1	REAL300008011495	0	37	-1.0	-48.25	327.06	2.36	-45.89
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=NON=C3C=C2)S1	REAL300008011496	0	29	-1.0	-49.76	296.16	1.17	-48.59
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=CC=C3S2)S1	REAL300008011497	0	31	-1.0	-49.60	320.13	3.81	-45.79
CN1N=C(C2CC2)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011498	0	35	-1.0	-49.70	327.08	1.89	-47.81
CC1=CC(C)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=C1F	REAL300008011499	0	37	-1.0	-48.17	332.85	4.55	-43.62
COC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1OC	REAL300008011500	0	36	-1.0	-49.88	328.94	2.17	-47.71
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=COC3=CC=CC=C23)S1	REAL300008011501	0	31	-1.0	-50.22	304.20	2.34	-47.88
CN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C2CCCC2)=N1	REAL300008011502	0	41	-1.0	-50.22	355.78	2.67	-47.55
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011503	0	40	-1.0	-51.01	360.45	2.98	-48.03
CCCCN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=N1	REAL300008011504	0	40	-1.0	-51.28	369.53	3.11	-48.17
CN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C2CC2)=N1	REAL300008011505	0	35	-1.0	-51.78	336.68	2.29	-49.49
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(OC(F)F)C=C2)S1	REAL300008011506	0	32	-1.0	-51.00	320.53	1.97	-49.03
CN1N=NC2=C(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)C=CC=C21	REAL300008011507	0	33	-1.0	-57.13	319.56	0.81	-56.32
CC1(C)CCCN(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C1	REAL300008011508	0	39	-1.0	-48.28	335.78	2.79	-45.49
CN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C2CCC2)=N1	REAL300008011509	0	38	-1.0	-50.39	338.72	2.18	-48.21
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011510	0	46	-1.0	-48.36	395.50	6.40	-41.96
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(CC3CCC3)N=C2)S1	REAL300008011511	0	38	-1.0	-52.35	355.27	3.03	-49.32
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=C(C3CC3)C=CS2)S1	REAL300008011512	0	32	-1.0	-48.89	312.85	3.35	-45.54
COC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C2=NC=CC=C2C=C1	REAL300008011513	0	37	-1.0	-58.97	346.70	3.60	-55.37
CCCC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011514	0	37	-1.0	-49.11	345.68	4.60	-44.51
CN1N=C2CCCC2=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011515	0	35	-1.0	-49.87	326.99	1.90	-47.97
O=C([O-])C1=CN=C(CNS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)S1	REAL300008011516	0	34	-1.0	-48.12	309.83	1.89	-46.23
CC1=CC=CC(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011517	0	34	-1.0	-47.65	307.97	3.91	-43.74
CC(C)(C)N1N=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011518	0	37	-1.0	-47.96	327.38	2.38	-45.58
CC(C)(C)N1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011519	0	37	-1.0	-51.55	345.78	2.09	-49.46
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CNN=C2C2CCC2)S1	REAL300008011520	0	35	-1.0	-50.81	330.81	1.43	-49.38
CC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CN=C1C(F)(F)F	REAL300008011521	0	33	-1.0	-50.08	332.20	2.20	-47.88
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)S1	REAL300008011522	0	31	-1.0	-47.97	326.42	3.46	-44.51
CC1=NN(C)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011523	0	31	-1.0	-49.29	303.46	0.60	-48.69
CC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1C	REAL300008011524	0	34	-1.0	-48.81	313.52	3.83	-44.98
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011525	0	39	-1.0	-56.51	365.86	4.42	-52.09
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=CC=C3CCC2)S1	REAL300008011526	0	39	-1.0	-49.22	349.95	5.46	-43.76
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)S1	REAL300008011527	0	34	-1.0	-49.58	343.75	3.42	-46.16
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CC3=CC=CC=C3C2)S1	REAL300008011528	0	34	-1.0	-48.96	323.73	2.83	-46.13
CN(C1CCC1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011529	0	33	-1.0	-48.53	302.02	1.51	-47.02
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=NOC3=C2COCC3)S1	REAL300008011530	0	35	-1.0	-56.07	334.33	0.74	-55.33
O=C([O-])C1=CN=C(CNC(=O)N2CCC(F)(F)CC2)S1	REAL300008011531	0	32	-1.0	-45.10	290.60	4.44	-40.66
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CSC=C2C(F)(F)F)S1	REAL300008011532	0	28	-1.0	-50.69	300.49	2.81	-47.88
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)S1	REAL300008011532	1	27	-2.0	-98.42	299.05	2.46	-95.96
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(C3CC3)=C2)S1	REAL300008011533	0	35	-1.0	-49.27	330.51	4.50	-44.77
COC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=CS1	REAL300008011534	0	29	-1.0	-49.40	297.10	0.89	-48.51
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=NN2C2CCCC2)S1	REAL300008011535	0	38	-1.0	-48.98	347.30	2.92	-46.06
CCC(C)N1N=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011536	0	37	-1.0	-48.56	341.23	2.28	-46.28
CN(C(C)(C)C)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011537	0	35	-1.0	-48.17	307.36	1.88	-46.29
CCC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)O1	REAL300008011538	0	31	-1.0	-49.19	307.36	1.99	-47.20
CN(C1CCCCCC1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011539	0	42	-1.0	-48.52	351.94	3.38	-45.14
CN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C2CCOCC2)=N1	REAL300008011540	0	42	-1.0	-51.90	379.82	1.51	-50.39
CC(F)(F)C1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011541	0	34	-1.0	-50.68	334.50	3.92	-46.76
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(OC(F)F)=C2)S1	REAL300008011542	0	32	-1.0	-51.42	320.54	1.96	-49.46
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)S1	REAL300008011543	0	43	-1.0	-49.66	376.85	5.05	-44.61
COC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)S1	REAL300008011544	0	29	-1.0	-48.57	305.07	0.84	-47.73
CC1=CC(C)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C2=NC=CC=C12	REAL300008011545	0	39	-1.0	-54.04	352.72	4.73	-49.31
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CCC(C(F)(F)F)CC2)S1	REAL300008011546	0	36	-1.0	-50.25	334.89	2.38	-47.87
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(CCF)N=C2)S1	REAL300008011547	0	31	-1.0	-51.37	313.95	1.09	-50.28
CCOCC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011548	0	38	-1.0	-50.68	358.20	3.08	-47.60
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011549	0	38	-1.0	-50.35	359.94	3.62	-46.73
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN(C3CCCCC3)N=C2)S1	REAL300008011550	0	41	-1.0	-50.73	367.67	3.32	-47.41
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)S1	REAL300008011551	0	39	-1.0	-49.78	369.94	5.22	-44.56
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC=C2CF)S1	REAL300008011552	0	31	-1.0	-51.23	301.11	3.46	-47.77
CC1=CN=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011553	0	30	-1.0	-49.47	297.73	1.25	-48.22
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300008011554	0	37	-1.0	-51.23	340.00	5.27	-45.96
CN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C2=CC=CC=C2)=N1	REAL300008011555	0	38	-1.0	-50.32	348.53	3.29	-47.03
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CC3CC2C3)S1	REAL300008011556	0	31	-1.0	-49.26	293.24	1.28	-47.98
O=C([O-])C1=CN=C(CNS(=O)(=O)C=CC2=CC=C(F)C=C2)S1	REAL300008011557	0	32	-1.0	-50.37	319.60	3.64	-46.73
CCOCCCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011558	0	34	-1.0	-53.11	322.16	0.90	-52.21
O=C([O-])C1=CN=C(CNS(=O)(=O)CCC2NC(=O)NC2=O)S1	REAL300008011559	0	33	-1.0	-60.97	324.48	-3.66	-64.63
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN=C3C=CC=CN23)S1	REAL300008011560	0	31	-1.0	-54.85	302.22	2.50	-52.35
O=C([O-])C1=CN=C(CNS(=O)(=O)C2CCC(F)(F)CC2)S1	REAL300008011561	0	34	-1.0	-53.33	317.92	2.89	-50.44
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C3SC=NC3=C2)S1	REAL300008011562	0	30	-1.0	-52.22	312.22	1.78	-50.44
O=C([O-])C1=CN=C(CNS(=O)(=O)CCOC2CCOC2)S1	REAL300008011563	0	36	-1.0	-52.06	336.08	-0.43	-52.49
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2COCCO2)S1	REAL300008011564	0	33	-1.0	-54.14	310.12	-0.42	-54.56
CC1=NC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C(C2=CC=CC=C2)O1	REAL300008011565	0	37	-1.0	-51.70	355.13	1.58	-50.12
CC1=NC(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)=C(C2=CC=CC=C2)O1	REAL300008011565	1	36	-2.0	-107.16	353.36	1.21	-105.95
O=C([O-])C1=CN=C(CNS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)S1	REAL300008011566	0	45	-1.0	-50.75	358.28	5.28	-45.47
O=C([O-])C1=CN=C(CNS(=O)(=O)CCN2C=NN=N2)S1	REAL300008011567	0	29	-1.0	-58.91	296.07	0.26	-58.65
CC1(C)COC(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C1	REAL300008011568	0	38	-1.0	-53.91	341.42	1.89	-52.02
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2CS(=O)(=O)C2)S1	REAL300008011569	0	31	-1.0	-60.32	312.27	-1.93	-62.25
CC(C)(CS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1)C(C)(F)F	REAL300008011570	0	36	-1.0	-49.97	320.28	2.84	-47.13
CS(=O)(=O)CCCCS(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011571	0	36	-1.0	-62.24	351.76	-0.80	-63.04
CC1(C)CCC(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)OC1	REAL300008011572	0	41	-1.0	-52.41	356.00	2.53	-49.88
O=C([O-])C1=CN=C(CNS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)S1	REAL300008011573	0	38	-1.0	-51.18	351.81	4.68	-46.50
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2=CC=CC3=NSN=C32)S1	REAL300008011574	0	32	-1.0	-55.72	329.26	1.42	-54.30
O=C([O-])C1=CN=C(CNS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)S1	REAL300008011575	0	38	-1.0	-54.83	364.58	5.29	-49.54
O=C([O-])C1=CN=C(CNS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)S1	REAL300008011576	0	37	-1.0	-54.76	335.33	-0.17	-54.93
COCCC1(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)CC1	REAL300008011577	0	35	-1.0	-50.64	315.86	1.24	-49.40
CCN1N=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=N1	REAL300008011578	0	30	-1.0	-50.23	301.99	-0.74	-50.97
CCN1N=CC(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)=N1	REAL300008011578	1	29	-2.0	-97.92	299.75	-1.14	-99.06
O=C([O-])C1=CN=C(CNS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)S1	REAL300008011579	0	41	-1.0	-50.87	348.86	4.39	-46.48
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(C3CC3)S2)S1	REAL300008011580	0	32	-1.0	-48.24	325.10	3.69	-44.55
COC1=CC=C(C=C(C)S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300008011581	0	39	-1.0	-50.64	355.25	3.38	-47.26
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011582	0	33	-1.0	-53.11	309.72	-0.69	-53.80
CC1=COC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011583	0	28	-1.0	-49.56	285.86	1.05	-48.51
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)O1	REAL300008011584	0	28	-1.0	-49.51	285.88	1.20	-48.31
CCC1=NNC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011585	0	31	-1.0	-50.85	303.99	0.09	-50.76
COC1=CSC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1OC	REAL300008011586	0	33	-1.0	-50.73	330.06	0.26	-50.47
O=C([O-])C1=CN=C(CNS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)S1	REAL300008011587	0	40	-1.0	-48.14	341.73	2.84	-45.30
CN(CCC1=CC=CC=C1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011588	0	39	-1.0	-50.07	361.32	4.28	-45.79
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)S1	REAL300008011589	0	32	-1.0	-49.99	322.76	3.27	-46.72
COC1=CC(F)=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(F)=C1	REAL300008011590	0	32	-1.0	-49.87	319.26	1.95	-47.92
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)C(F)=C1	REAL300008011590	1	31	-2.0	-101.75	317.04	1.59	-100.16
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)S1	REAL300008011591	0	32	-1.0	-50.74	326.77	2.03	-48.71
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011592	0	34	-1.0	-50.09	325.69	2.33	-47.76
CN1C=CC2=CC(S(=O)(=O)NCC3=NC=C(C(=O)[O-])S3)=CC=C21	REAL300008011593	0	35	-1.0	-52.50	334.98	4.15	-48.35
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011594	0	41	-1.0	-51.77	370.92	4.67	-47.10
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)S1	REAL300008011595	0	39	-1.0	-50.60	371.71	5.29	-45.31
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011596	0	34	-1.0	-53.82	318.04	4.39	-49.43
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)S1	REAL300008011597	0	29	-1.0	-50.06	316.37	1.27	-48.79
C=C(C)COC1=CC=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011598	0	39	-1.0	-51.41	364.96	4.01	-47.40
CCN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C2CC2)=N1	REAL300008011599	0	38	-1.0	-50.71	346.41	2.62	-48.09
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C2=NSN=C2C=C1	REAL300008011600	0	32	-1.0	-52.39	319.29	1.77	-50.62
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)S1	REAL300008011601	0	34	-1.0	-49.31	343.92	5.16	-44.15
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CSC(C(F)(F)F)=N2)S1	REAL300008011602	0	27	-1.0	-52.46	308.62	0.36	-52.10
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)S1	REAL300008011602	1	26	-2.0	-96.00	306.38	-0.00	-96.00
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011603	0	41	-1.0	-48.25	369.34	3.40	-44.85
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=C(Cl)OC=C2)S1	REAL300008011604	0	25	-1.0	-48.22	271.54	0.52	-47.70
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)S1	REAL300008011604	1	24	-2.0	-96.19	277.82	0.51	-95.68
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC(Cl)=CS2)S1	REAL300008011605	0	25	-1.0	-47.62	290.09	1.89	-45.73
COCCC1=CC=C(OC)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011606	0	42	-1.0	-51.05	378.37	2.70	-48.35
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)S1	REAL300008011607	0	34	-1.0	-49.38	328.62	4.69	-44.69
CN1N=C2CCOCC2=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011608	0	36	-1.0	-49.24	331.96	0.06	-49.18
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=CC=C2C2CC2)S1	REAL300008011609	0	35	-1.0	-49.18	324.14	4.62	-44.56
CC1(C)CCN(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)CC1	REAL300008011610	0	39	-1.0	-47.70	331.81	2.36	-45.34
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)S1	REAL300008011611	0	43	-1.0	-50.28	383.15	2.77	-47.51
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011612	0	31	-1.0	-47.83	316.42	0.10	-47.73
COC1=NC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1C	REAL300008011613	0	34	-1.0	-49.31	328.59	-0.20	-49.51
CC(C)CN1C=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300008011614	0	37	-1.0	-51.27	348.70	2.49	-48.78
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011615	0	37	-1.0	-50.82	345.23	2.09	-48.73
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CCN(CC(F)F)CC2)S1	REAL300008011616	0	38	-1.0	-50.51	343.51	0.16	-50.35
COCC1=CC(CS(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=NO1	REAL300008011617	0	34	-1.0	-56.39	335.63	0.27	-56.12
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)N=C1	REAL300008011618	0	39	-1.0	-49.35	350.93	2.97	-46.38
CC(C)N1N=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011619	0	34	-1.0	-48.67	323.00	1.64	-47.03
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=NN2CC2CC2)S1	REAL300008011620	0	35	-1.0	-48.42	329.91	2.54	-45.88
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)S1	REAL300008011621	0	35	-1.0	-51.70	332.45	3.68	-48.02
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=C(C(F)F)C=N2)S1	REAL300008011622	0	30	-1.0	-52.48	309.46	1.31	-51.17
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CCC3=CC=CN=C32)S1	REAL300008011623	0	33	-1.0	-52.18	316.42	2.77	-49.41
CC1=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C=NN1C(C)C	REAL300008011624	0	37	-1.0	-50.70	344.56	2.18	-48.52
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=NC=CC3=CC=CC=C32)S1	REAL300008011625	0	33	-1.0	-52.69	315.14	3.05	-49.64
CC1=CN=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C)=C1	REAL300008011626	0	33	-1.0	-50.22	311.65	2.12	-48.10
CC1=CN=CC=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011627	0	30	-1.0	-48.67	291.69	1.49	-47.18
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CC=C(Br)CC2)S1	REAL300008011628	0	31	-1.0	-49.14	312.73	2.11	-47.03
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011629	0	36	-1.0	-57.44	338.95	-1.81	-59.25
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CC3CCC(C2)O3)S1	REAL300008011630	0	35	-1.0	-48.50	312.51	0.50	-48.00
N#CC1CCN(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)CC1	REAL300008011631	0	34	-1.0	-54.41	319.58	1.88	-52.53
COC1=CC=NC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011632	0	31	-1.0	-52.19	306.86	-0.21	-52.40
C=CCN(CC=C)S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011633	0	34	-1.0	-48.11	321.86	2.28	-45.83
COC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C(C(F)F)=C1	REAL300008011634	0	35	-1.0	-52.55	330.75	3.17	-49.38
COC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)N=C1	REAL300008011635	0	31	-1.0	-50.01	303.94	-0.06	-50.07
CC1=CC=CN=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011636	0	30	-1.0	-50.59	292.15	1.28	-49.31
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011637	0	34	-1.0	-47.96	338.55	0.56	-47.40
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC=NC3=CC=CC=C32)S1	REAL300008011638	0	33	-1.0	-50.72	317.89	2.82	-47.90
CCOC1=CC=CN=C1S(=O)(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300008011639	0	34	-1.0	-54.08	326.16	1.68	-52.40
CC1=CC=C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)C2=NC=CC=C12	REAL300008011640	0	36	-1.0	-53.67	331.24	4.05	-49.62
CC1=CC(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=CC=N1	REAL300008011641	0	30	-1.0	-49.38	298.07	1.20	-48.18
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CNC3=CC=CC=C23)S1	REAL300008011642	0	32	-1.0	-51.80	307.82	2.03	-49.77
O=C([O-])C1=CN=C(CNS(=O)(=O)N2CCC(F)(F)C2)S1	REAL300008011643	0	30	-1.0	-49.63	298.28	0.88	-48.75
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CN=CS2)S1	REAL300008011644	0	24	-1.0	-49.29	267.87	-0.49	-49.78
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CN=CS2)S1	REAL300008011644	1	23	-2.0	-94.90	265.62	-0.88	-95.78
O=C([O-])C1=CN=C(CNS(=O)(=O)C2=CC(C(F)F)=CC=N2)S1	REAL300008011645	0	30	-1.0	-54.93	311.48	1.42	-53.51
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300008011646	0	41	-1.0	-49.93	361.26	4.34	-45.59
CC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011647	0	39	-1.0	-53.74	326.37	4.53	-49.21
CCC(C)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011648	0	46	-1.0	-46.39	362.26	6.64	-39.75
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)S1)CC(=O)[O-]	REAL300008011649	0	31	-1.0	-45.34	292.55	3.67	-41.67
COC1=CC=C(C)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011650	0	41	-1.0	-48.71	325.51	4.54	-44.17
CC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011651	0	37	-1.0	-46.48	320.42	5.48	-41.00
CC(C)(CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)CC(=O)[O-]	REAL300008011652	0	38	-1.0	-48.12	320.65	4.37	-43.75
CC(C)(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)CC(=O)[O-]	REAL300008011653	0	40	-1.0	-54.81	344.27	1.57	-53.24
CC(C)(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)CC(=O)[O-]	REAL300008011654	0	38	-1.0	-46.13	329.58	3.84	-42.29
COC1=CC(C)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1OC	REAL300008011655	0	45	-1.0	-49.01	357.06	4.17	-44.84
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011656	0	37	-1.0	-45.35	315.03	5.47	-39.88
CN(C1CCCCC1)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011657	0	45	-1.0	-45.91	340.71	4.50	-41.41
CC1=NN(C)C(C)=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011658	0	40	-1.0	-49.14	320.28	3.08	-46.06
CC(C)(CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)CC(=O)[O-]	REAL300008011659	0	50	-1.0	-46.25	385.44	7.86	-38.39
CC(C)(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)CC(=O)[O-]	REAL300008011660	0	40	-1.0	-49.03	328.07	3.21	-45.82
CC(C)(CNS(=O)(=O)C1=CC=CC=C1Br)CC(=O)[O-]	REAL300008011661	0	34	-1.0	-47.46	300.05	4.79	-42.67
CC(C)(CNS(=O)(=O)C1=CC=CC(Br)=C1)CC(=O)[O-]	REAL300008011662	0	34	-1.0	-46.38	304.89	4.67	-41.71
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011663	0	39	-1.0	-53.13	317.25	6.40	-46.73
CC(C)(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)CC(=O)[O-]	REAL300008011664	0	40	-1.0	-49.19	345.57	6.07	-43.12
CN(C)S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011665	0	44	-1.0	-58.10	366.85	0.61	-57.49
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011666	0	45	-1.0	-48.94	366.04	5.88	-43.06
CC1=CC(F)=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011667	0	37	-1.0	-46.84	311.41	4.79	-42.05
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)CC(=O)[O-]	REAL300008011668	0	40	-1.0	-48.50	329.29	4.55	-43.95
COCC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011669	0	41	-1.0	-47.84	338.65	3.78	-44.06
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=N1	REAL300008011670	0	40	-1.0	-46.92	332.62	1.67	-45.25
CC(C)(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)CC(=O)[O-]	REAL300008011671	0	43	-1.0	-58.94	368.61	2.26	-56.68
CC(C)(CNS(=O)(=O)CCCS(C)(=O)=O)CC(=O)[O-]	REAL300008011672	0	39	-1.0	-61.50	332.56	0.09	-61.41
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(C)=C1C	REAL300008011673	0	44	-1.0	-47.37	343.99	4.88	-42.49
CC(C)(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)CC(=O)[O-]	REAL300008011674	0	39	-1.0	-47.70	334.70	4.55	-43.15
CC(C)(CNS(=O)(=O)CC1=CC=C(Br)C=C1)CC(=O)[O-]	REAL300008011675	0	37	-1.0	-49.40	328.64	5.39	-44.01
CC(C)(CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)CC(=O)[O-]	REAL300008011676	0	39	-1.0	-50.17	324.55	4.44	-45.73
CC(C)(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CC(=O)[O-]	REAL300008011677	0	44	-1.0	-55.29	354.27	-0.38	-55.67
CN(C1CCOCC1)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011678	0	43	-1.0	-46.37	331.43	2.11	-44.26
CC1=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008011679	0	43	-1.0	-51.51	356.95	5.39	-46.12
CCN1N=C(C)C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1C	REAL300008011680	0	43	-1.0	-48.23	343.01	3.99	-44.24
CC(C)N1C=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=N1	REAL300008011681	0	40	-1.0	-48.57	328.34	3.13	-45.44
CC(C)CN1C=NC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011682	0	43	-1.0	-52.11	348.15	5.01	-47.10
CC(C)N1C=NC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011683	0	40	-1.0	-51.56	329.02	4.42	-47.14
CC(C)C1=NC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CN1	REAL300008011684	0	40	-1.0	-51.38	325.36	2.64	-48.74
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011685	0	46	-1.0	-47.20	336.09	6.57	-40.63
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011686	0	42	-1.0	-58.00	350.06	3.46	-54.54
COC1=CC(Cl)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1OC	REAL300008011687	0	42	-1.0	-47.68	343.92	3.31	-44.37
CC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1Br	REAL300008011688	0	37	-1.0	-46.83	323.09	5.25	-41.58
CC1=C(F)C=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011689	0	37	-1.0	-46.48	304.30	4.88	-41.60
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)CC(=O)[O-]	REAL300008011690	0	40	-1.0	-46.83	338.99	6.83	-40.00
CC(C)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)CC(=O)[O-]	REAL300008011691	0	39	-1.0	-46.72	336.76	6.29	-40.43
CC(C)(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)CC(=O)[O-]	REAL300008011692	0	38	-1.0	-48.53	329.06	3.70	-44.83
CC(C)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)CC(=O)[O-]	REAL300008011693	0	41	-1.0	-49.07	340.85	5.74	-43.33
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011694	0	49	-1.0	-48.40	381.93	5.50	-42.90
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)CC(=O)[O-]	REAL300008011695	0	37	-1.0	-47.66	315.76	4.92	-42.74
COCC1=CC=C(OC)C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011696	0	45	-1.0	-49.88	359.18	3.60	-46.28
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1COCC1C	REAL300008020001	0	40	-1.0	-54.96	336.41	2.22	-52.74
CC1COCC1NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008020002	0	30	-1.0	-46.87	290.18	0.78	-46.09
CC1COCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008020002	1	29	-2.0	-95.44	282.43	0.58	-94.86
CC1COCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008020003	0	39	-1.0	-52.15	326.45	4.35	-47.80
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1COCC1C	REAL300008020004	0	40	-1.0	-53.81	323.49	2.71	-51.10
COC1=CC=C(S(=O)(=O)NC2COCC2C)C(C(=O)[O-])=C1	REAL300008020005	0	37	-1.0	-49.82	309.16	2.28	-47.54
CC1COCC1NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008020006	0	39	-1.0	-52.16	331.37	4.57	-47.59
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2COCC2C)S1	REAL300008020007	0	33	-1.0	-49.49	300.60	1.82	-47.67
CC1COCC1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008020008	0	39	-1.0	-52.20	325.71	5.25	-46.95
CC1COCC1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008020009	0	36	-1.0	-46.66	312.75	3.57	-43.09
CC1COCC1NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008020010	0	33	-1.0	-49.27	320.24	2.72	-46.55
CC1COCC1NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008020011	0	36	-1.0	-65.81	316.88	0.76	-65.05
CC1COCC1NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008020012	0	36	-1.0	-44.75	313.46	3.60	-41.15
CC1COCC1NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008020013	0	30	-1.0	-40.98	290.69	2.51	-38.47
CC1=CC(S(=O)(=O)NC2COCC2C)=CN=C1C(=O)[O-]	REAL300008020014	0	35	-1.0	-50.96	297.94	1.09	-49.87
CCOC1=CC=C(S(=O)(=O)NC2COCC2C)C=C1C(=O)[O-]	REAL300008020015	0	40	-1.0	-59.34	334.65	3.30	-56.04
CC1COCC1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008020016	0	40	-1.0	-52.51	331.00	4.21	-48.30
CC1COCC1NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008020017	0	38	-1.0	-55.33	327.28	2.69	-52.64
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008020018	0	45	-1.0	-49.95	362.93	9.12	-40.83
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008020019	0	45	-1.0	-57.31	362.94	9.11	-48.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C(C)C1=CC=CC=C1	REAL300008020020	0	48	-1.0	-59.53	367.73	9.68	-49.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C(C)C1=CC=CC=C1	REAL300008020021	0	49	-1.0	-59.92	382.42	9.10	-50.82
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300008020022	0	48	-1.0	-59.98	375.71	9.24	-50.74
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008020023	0	42	-1.0	-48.40	337.94	8.00	-40.40
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008020024	0	45	-1.0	-57.31	362.94	9.11	-48.20
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008020025	0	45	-1.0	-49.95	362.93	9.12	-40.83
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008020026	0	45	-1.0	-51.17	342.45	8.83	-42.34
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008020027	0	43	-1.0	-54.17	349.64	6.86	-47.31
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008020028	0	45	-1.0	-52.63	365.63	6.83	-45.80
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008020029	0	42	-1.0	-48.53	352.64	7.91	-40.62
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008020030	0	42	-1.0	-58.60	339.05	6.14	-52.46
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008020031	0	50	-1.0	-52.90	380.92	8.24	-44.66
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008020032	0	50	-1.0	-46.49	382.33	8.14	-38.35
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008020033	0	45	-1.0	-51.17	342.45	8.83	-42.34
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008020034	0	45	-1.0	-59.85	367.23	10.36	-49.49
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008020035	0	42	-1.0	-53.07	345.83	7.51	-45.56
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)O1	REAL300008020036	0	45	-1.0	-52.62	364.32	8.07	-44.55
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300008020037	0	44	-1.0	-53.21	348.75	7.76	-45.45
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008020038	0	47	-1.0	-62.39	364.76	7.95	-54.44
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008020039	0	48	-1.0	-58.74	384.87	9.48	-49.26
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008020040	0	50	-1.0	-46.49	382.33	8.14	-38.35
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008020041	0	48	-1.0	-59.99	383.87	9.62	-50.37
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008020042	0	42	-1.0	-53.07	345.83	7.51	-45.56
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008020043	0	49	-1.0	-49.20	394.01	9.40	-39.80
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300008020044	0	44	-1.0	-53.21	348.75	7.76	-45.45
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008020045	0	42	-1.0	-55.47	353.83	7.76	-47.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)=C1C	REAL300008020046	0	51	-1.0	-61.14	385.90	10.22	-50.92
CC1=CC=CC(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)=C1C(=O)[O-]	REAL300008020047	0	48	-1.0	-80.79	379.61	10.15	-70.64
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008020048	0	42	-1.0	-53.63	352.78	8.18	-45.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1C(C)C1=CC=CC=C1	REAL300008020049	0	48	-1.0	-49.43	362.28	9.03	-40.40
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008020050	0	48	-1.0	-50.63	385.12	9.90	-40.73
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008020051	0	42	-1.0	-51.63	346.12	7.25	-44.38
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008020052	0	48	-1.0	-48.95	381.96	9.46	-39.49
CC1=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300008020053	0	45	-1.0	-53.83	360.98	7.98	-45.85
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008020054	0	44	-1.0	-48.91	356.54	7.34	-41.57
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008020055	0	41	-1.0	-51.82	334.57	6.47	-45.35
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008020056	0	41	-1.0	-72.77	337.19	6.24	-66.53
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008020057	0	44	-1.0	-52.69	339.19	7.11	-45.58
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)CCCCCC(=O)[O-]	REAL300008020058	0	50	-1.0	-53.50	391.75	9.32	-44.18
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008020059	0	44	-1.0	-51.60	358.83	7.36	-44.24
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008020060	0	45	-1.0	-49.56	378.09	9.64	-39.92
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300008020061	0	49	-1.0	-58.46	387.04	8.76	-49.70
CC1=CC(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300008020062	0	48	-1.0	-49.97	377.75	9.65	-40.32
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300008020063	0	46	-1.0	-49.96	362.35	7.32	-42.64
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008020064	0	45	-1.0	-49.56	378.09	9.64	-39.92
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCCC1C(C)C1=CC=CC=C1	REAL300008020065	0	45	-1.0	-56.16	351.58	9.62	-46.54
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008020066	0	48	-1.0	-58.74	384.87	9.48	-49.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C(C)C1=CC=CC=C1	REAL300008020067	0	49	-1.0	-59.92	382.42	9.10	-50.82
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300008020068	0	48	-1.0	-59.98	375.71	9.24	-50.74
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C(C)C1=CC=CC=C1	REAL300008020069	0	48	-1.0	-59.53	367.73	9.68	-49.85
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008020070	0	48	-1.0	-56.25	369.88	8.69	-47.56
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008020071	0	48	-1.0	-48.95	381.96	9.46	-39.49
COC1=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)SC(C(=O)[O-])=C1	REAL300008020072	0	46	-1.0	-48.77	380.14	8.19	-40.58
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008020073	0	52	-1.0	-53.61	409.08	11.00	-42.61
CCC1=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300008020074	0	48	-1.0	-58.45	380.59	8.39	-50.06
CC1=NC=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300008020075	0	47	-1.0	-48.38	373.93	7.78	-40.60
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC1C(C)C1=CC=CC=C1	REAL300008020076	0	49	-1.0	-51.41	388.91	8.64	-42.77
COC1=CC(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300008020077	0	49	-1.0	-55.47	387.93	9.24	-46.23
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008020078	0	48	-1.0	-53.65	388.25	9.98	-43.67
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008020079	0	45	-1.0	-51.39	353.18	7.36	-44.03
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)=C1	REAL300008020080	0	45	-1.0	-52.63	364.36	8.02	-44.61
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008020081	0	45	-1.0	-52.77	373.17	9.56	-43.21
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008020082	0	42	-1.0	-67.39	339.72	7.63	-59.76
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008020083	0	45	-1.0	-46.99	347.22	8.37	-38.62
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)=C1	REAL300008020084	0	49	-1.0	-64.72	379.85	9.16	-55.56
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008020085	0	42	-1.0	-58.60	339.05	6.14	-52.46
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008020086	0	45	-1.0	-51.39	353.18	7.36	-44.03
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008020087	0	44	-1.0	-51.86	357.60	7.27	-44.59
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008020088	0	48	-1.0	-62.70	375.80	10.18	-52.52
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008020089	0	42	-1.0	-48.40	361.07	7.79	-40.61
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300008020090	0	49	-1.0	-52.35	371.71	8.19	-44.16
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008020091	0	44	-1.0	-56.63	356.73	7.38	-49.25
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008020092	0	42	-1.0	-46.67	344.89	5.41	-41.26
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008020093	0	45	-1.0	-58.32	364.20	6.90	-51.42
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008020094	0	45	-1.0	-53.91	354.13	8.28	-45.63
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008020095	0	48	-1.0	-56.31	364.72	8.61	-47.70
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)S1	REAL300008020096	0	45	-1.0	-51.02	372.54	8.52	-42.50
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008020097	0	48	-1.0	-63.80	369.39	9.94	-53.86
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008020098	0	48	-1.0	-64.79	389.02	7.73	-57.06
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008020099	0	48	-1.0	-47.30	389.55	10.38	-36.92
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008020100	0	45	-1.0	-57.88	357.50	8.07	-49.81
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008020101	0	50	-1.0	-57.69	368.64	8.75	-48.94
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008020102	0	42	-1.0	-46.67	344.89	5.41	-41.26
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008020103	0	47	-1.0	-62.17	365.93	8.01	-54.16
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008020104	0	42	-1.0	-58.60	339.05	6.14	-52.46
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008020105	0	42	-1.0	-43.26	356.61	8.71	-34.55
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008020106	0	45	-1.0	-61.91	344.93	8.70	-53.21
CC1=CC(S(=O)(=O)N2CCCC2C(C)C2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300008020107	0	47	-1.0	-52.80	376.15	7.90	-44.90
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008020108	0	48	-1.0	-63.80	369.39	9.94	-53.86
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008020109	0	52	-1.0	-50.90	406.56	11.02	-39.88
CC(C1=CC=CC=C1)C1CCCN1S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008020110	0	44	-1.0	-46.01	338.31	7.03	-38.98
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008020111	0	38	-1.0	-47.49	315.22	2.99	-44.50
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008020112	0	38	-1.0	-53.19	315.30	2.99	-50.20
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008020113	0	41	-1.0	-53.57	326.97	3.82	-49.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)OC	REAL300008020114	0	42	-1.0	-53.17	342.44	2.69	-50.48
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008020115	0	41	-1.0	-49.87	331.31	3.52	-46.35
COC(C)(C)C(C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008020116	0	35	-1.0	-47.52	295.50	2.69	-44.83
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008020117	0	38	-1.0	-53.19	315.30	2.99	-50.20
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008020118	0	38	-1.0	-47.49	315.22	2.99	-44.50
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008020119	0	38	-1.0	-50.98	300.58	3.74	-47.24
COC(C)(C)C(C)NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008020120	0	38	-1.0	-50.35	320.66	1.13	-49.22
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008020121	0	35	-1.0	-45.89	307.97	2.13	-43.76
COC(C)(C)C(C)NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008020122	0	43	-1.0	-46.36	323.39	1.87	-44.49
COC(C)(C)C(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008020123	0	43	-1.0	-51.16	332.20	2.10	-49.06
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008020124	0	38	-1.0	-50.98	300.58	3.74	-47.24
COC(C)(C)C(C)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008020125	0	38	-1.0	-44.64	317.28	4.27	-40.37
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008020126	0	38	-1.0	-49.88	317.21	1.82	-48.06
COC(C)(C)C(C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008020127	0	41	-1.0	-57.81	338.57	3.71	-54.10
COC(C)(C)C(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008020128	0	43	-1.0	-51.16	332.20	2.10	-49.06
COC(C)(C)C(C)NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008020129	0	41	-1.0	-57.44	336.22	3.64	-53.80
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008020130	0	42	-1.0	-47.35	346.30	3.27	-44.08
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC(C)C(C)(C)OC	REAL300008020131	0	42	-1.0	-44.37	354.53	4.08	-40.29
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008020132	0	35	-1.0	-49.12	309.10	2.03	-47.09
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008020133	0	44	-1.0	-54.68	343.88	4.35	-50.33
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008020134	0	41	-1.0	-55.55	327.25	4.15	-51.40
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C(C)(C)OC)=C1	REAL300008020135	0	45	-1.0	-51.54	368.29	2.63	-48.91
COC(C)(C)C(C)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008020136	0	35	-1.0	-52.02	304.81	1.96	-50.06
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008020137	0	41	-1.0	-43.12	339.11	4.74	-38.38
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008020138	0	41	-1.0	-47.93	321.54	3.67	-44.26
COC(C)(C)C(C)NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008020139	0	41	-1.0	-54.68	341.74	5.28	-49.40
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008020140	0	41	-1.0	-48.09	337.47	3.77	-44.32
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300008020141	0	43	-1.0	-43.08	351.48	3.96	-39.12
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008020142	0	41	-1.0	-51.90	337.43	3.75	-48.15
COC(C)(C)C(C)NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008020143	0	38	-1.0	-50.76	317.56	2.03	-48.73
COC(C)(C)C(C)NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008020144	0	37	-1.0	-47.61	308.48	1.10	-46.51
COC(C)(C)C(C)NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008020145	0	34	-1.0	-51.52	289.61	1.16	-50.36
COC(C)(C)C(C)NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008020146	0	34	-1.0	-56.06	298.05	0.74	-55.32
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008020147	0	37	-1.0	-53.09	296.21	1.96	-51.13
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008020148	0	37	-1.0	-50.03	309.06	1.10	-48.93
COC(C)(C)C(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008020149	0	38	-1.0	-48.21	329.96	3.44	-44.77
COC(C)(C)C(C)NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008020150	0	38	-1.0	-48.20	334.52	3.53	-44.67
COC1=CC=C(S(=O)(=O)NC(C)C(C)(C)OC)C=C1C(=O)[O-]	REAL300008020151	0	42	-1.0	-55.95	342.55	3.05	-52.90
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008020152	0	41	-1.0	-46.66	331.28	3.53	-43.13
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008020153	0	43	-1.0	-51.02	346.60	3.36	-47.66
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C(C)(C)OC)=C1	REAL300008020154	0	45	-1.0	-51.54	368.29	2.63	-48.91
COC(C)(C)C(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008020155	0	38	-1.0	-48.21	329.96	3.44	-44.77
COC(C)(C)C(C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008020156	0	38	-1.0	-53.09	312.62	3.41	-49.68
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008020157	0	41	-1.0	-48.00	341.07	4.24	-43.76
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008020158	0	44	-1.0	-50.42	362.20	4.33	-46.09
COC(C)(C)C(C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008020159	0	41	-1.0	-57.81	338.57	3.71	-54.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)OC	REAL300008020160	0	42	-1.0	-53.17	342.44	2.69	-50.48
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008020161	0	41	-1.0	-49.87	331.31	3.52	-46.35
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008020162	0	41	-1.0	-53.57	326.97	3.82	-49.75
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)OC	REAL300008020163	0	42	-1.0	-44.38	349.73	3.16	-41.22
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008020164	0	41	-1.0	-51.90	337.43	3.75	-48.15
COC1=C(S(=O)(=O)NC(C)C(C)(C)OC)SC(C(=O)[O-])=C1	REAL300008020165	0	39	-1.0	-47.03	326.04	0.85	-46.18
COC(C)(C)C(C)NS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300008020166	0	41	-1.0	-45.69	353.12	4.13	-41.56
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008020167	0	43	-1.0	-48.47	350.02	3.59	-44.88
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008020168	0	41	-1.0	-46.30	345.40	3.80	-42.50
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008020169	0	45	-1.0	-49.50	359.24	4.82	-44.68
CCC1=C(S(=O)(=O)NC(C)C(C)(C)OC)C=C(C(=O)[O-])O1	REAL300008020170	0	41	-1.0	-50.50	339.50	2.89	-47.61
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008020171	0	40	-1.0	-45.09	328.92	4.42	-40.67
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008020172	0	41	-1.0	-49.58	351.06	4.42	-45.16
COC(C)(C)C(C)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008020173	0	40	-1.0	-39.91	328.84	4.41	-35.50
COC(C)(C)C(C)NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008020174	0	40	-1.0	-44.23	326.75	1.70	-42.53
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C)C(C)(C)OC	REAL300008020175	0	42	-1.0	-47.28	343.43	2.90	-44.38
COC1=CC(S(=O)(=O)NC(C)C(C)(C)OC)=CC=C1C(=O)[O-]	REAL300008020176	0	42	-1.0	-52.45	342.54	3.06	-49.39
COC1=CC=C(S(=O)(=O)NC(C)C(C)(C)OC)C(CC(=O)[O-])=C1	REAL300008020177	0	45	-1.0	-58.73	354.33	3.41	-55.32
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008020178	0	41	-1.0	-50.00	342.92	3.82	-46.18
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008020179	0	41	-1.0	-44.27	351.91	3.91	-40.36
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008020180	0	47	-1.0	-50.00	370.18	4.67	-45.33
COC(C)(C)C(C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008020181	0	38	-1.0	-48.38	306.63	1.32	-47.06
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008020182	0	44	-1.0	-49.15	349.88	5.13	-44.02
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008020183	0	38	-1.0	-48.85	316.93	1.97	-46.88
COC(C)(C)C(C)NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008020184	0	38	-1.0	-44.51	321.82	4.37	-40.14
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008020185	0	38	-1.0	-48.41	327.79	3.38	-45.03
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(C)C(C)(C)OC)=C1	REAL300008020186	0	42	-1.0	-49.32	329.92	3.06	-46.26
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC(C)C(C)(C)OC)=C1OC	REAL300008020187	0	50	-1.0	-49.34	401.30	4.10	-45.24
COC(C)(C)C(C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008020188	0	38	-1.0	-48.38	306.63	1.32	-47.06
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008020189	0	40	-2.0	-132.62	342.14	3.94	-128.68
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)OC	REAL300008020190	0	45	-1.0	-51.11	358.54	3.05	-48.06
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008020191	0	37	-1.0	-48.41	310.18	1.12	-47.29
COC(C)(C)C(C)NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008020192	0	41	-1.0	-58.19	328.25	4.12	-54.07
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008020193	0	35	-1.0	-45.88	313.87	1.65	-44.23
COC(C)(C)C(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008020193	1	34	-2.0	-96.60	310.22	1.47	-95.13
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008020194	0	44	-1.0	-48.94	349.30	5.16	-43.78
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)OC	REAL300008020195	0	45	-1.0	-52.75	364.45	3.66	-49.09
COC1=CC=C(S(=O)(=O)NC(C)C(C)(C)OC)C(C(=O)[O-])=C1	REAL300008020196	0	42	-1.0	-51.89	330.01	3.05	-48.84
COC(C)(C)C(C)NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008020197	0	37	-1.0	-54.88	311.46	1.22	-53.66
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008020198	0	38	-1.0	-51.01	308.29	0.30	-50.71
COC(C)(C)C(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008020199	0	44	-1.0	-51.52	359.11	5.19	-46.33
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008020200	0	38	-1.0	-49.25	327.16	2.74	-46.51
COC(C)(C)C(C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008020201	0	44	-1.0	-53.71	346.11	6.01	-47.70
COC(C)(C)C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008020202	0	41	-1.0	-44.61	334.61	4.33	-40.28
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008020203	0	41	-1.0	-58.04	326.41	4.16	-53.88
COC(C)(C)C(C)NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008020204	0	38	-1.0	-47.36	345.55	3.61	-43.75
COC(C)(C)C(C)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008020205	0	41	-1.0	-63.39	340.43	1.63	-61.76
COC(C)(C)C(C)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008020206	0	41	-1.0	-44.81	343.04	4.40	-40.41
COC(C)(C)C(C)NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008020207	0	43	-1.0	-52.55	321.91	3.00	-49.55
COC(C)(C)C(C)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008020208	0	35	-1.0	-42.48	312.48	3.32	-39.16
COC(C)(C)C(C)NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008020209	0	40	-1.0	-50.14	327.95	1.73	-48.41
COC(C)(C)C(C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008020210	0	41	-1.0	-58.04	326.41	4.16	-53.88
CCOC1=CC=C(S(=O)(=O)NC(C)C(C)(C)OC)C=C1C(=O)[O-]	REAL300008020211	0	45	-1.0	-59.21	364.42	3.95	-55.26
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008020212	0	45	-1.0	-48.28	360.74	4.88	-43.40
COC(C)(C)C(C)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008020213	0	37	-1.0	-45.14	296.29	1.97	-43.17
COC(C)(C)C(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008020214	0	43	-1.0	-55.01	354.95	3.30	-51.71
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020215	0	41	-1.0	-59.36	333.97	7.58	-51.78
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020216	0	32	-1.0	-49.01	285.90	5.30	-43.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008020217	0	33	-1.0	-47.67	297.76	4.59	-43.08
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020218	0	35	-1.0	-64.41	316.04	2.51	-61.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008020219	0	33	-1.0	-49.99	298.59	3.95	-46.04
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300008020220	0	40	-1.0	-53.05	321.46	3.90	-49.15
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020221	0	32	-1.0	-56.41	280.09	5.88	-50.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008020222	0	45	-1.0	-59.13	357.16	8.80	-50.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008020223	0	35	-1.0	-60.14	301.92	3.84	-56.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300008020224	0	29	-1.0	-48.19	264.28	4.58	-43.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008020225	0	29	-1.0	-49.59	273.87	4.77	-44.82
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020226	0	34	-1.0	-77.12	281.21	6.69	-70.43
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008020227	0	35	-1.0	-45.60	315.00	6.24	-39.36
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020228	0	39	-1.0	-51.56	336.29	0.79	-50.77
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020229	0	40	-1.0	-57.70	337.74	6.83	-50.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008020230	0	35	-1.0	-60.17	301.93	5.41	-54.76
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300008020231	0	35	-1.0	-46.16	301.72	1.77	-44.39
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020232	0	38	-1.0	-73.19	340.36	3.20	-69.99
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300008020233	0	39	-1.0	-59.87	309.36	5.29	-54.58
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008020234	0	34	-1.0	-64.24	311.99	5.21	-59.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008020235	0	32	-1.0	-62.31	302.03	6.18	-56.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008020236	0	34	-1.0	-62.95	298.41	5.08	-57.87
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020237	0	46	-1.0	-64.88	393.31	4.17	-60.71
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008020238	0	38	-1.0	-57.50	324.60	5.51	-51.99
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008020239	0	38	-1.0	-52.91	304.13	3.78	-49.13
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020240	0	38	-1.0	-50.65	317.64	5.02	-45.63
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020241	0	41	-1.0	-64.16	312.13	7.27	-56.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008020242	0	42	-1.0	-56.50	353.58	6.82	-49.68
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020243	0	37	-1.0	-75.25	323.55	4.09	-71.16
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300008020244	0	35	-1.0	-58.19	323.24	6.03	-52.16
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300008020245	0	37	-1.0	-60.15	323.16	4.00	-56.15
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(OC)C=C1Br	REAL300008020246	0	37	-1.0	-60.30	331.06	4.46	-55.84
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300008020247	0	32	-1.0	-57.59	296.93	5.88	-51.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008020248	0	35	-1.0	-50.94	304.76	6.65	-44.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008020249	0	34	-1.0	-59.00	312.36	7.06	-51.94
COCCOC1=C(Cl)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008020250	0	40	-1.0	-48.25	373.39	4.88	-43.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008020251	0	33	-1.0	-59.74	302.90	4.33	-55.41
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008020252	0	36	-1.0	-61.52	318.10	6.22	-55.30
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020253	0	44	-1.0	-52.52	343.97	5.33	-47.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008020254	0	32	-1.0	-58.29	289.50	5.92	-52.37
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020255	0	40	-1.0	-66.99	336.31	4.21	-62.78
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008021001	0	44	-1.0	-71.64	366.92	8.39	-63.25
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)CCCCCC(=O)[O-]	REAL300008021002	0	50	-1.0	-53.07	406.97	9.38	-43.69
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008021003	0	44	-1.0	-51.39	371.26	7.28	-44.11
CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=C(Cl)C=C2)C1(C)C	REAL300008021004	0	46	-1.0	-48.85	375.45	7.31	-41.54
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008021005	0	48	-1.0	-49.35	388.17	9.06	-40.29
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=CC=C(Cl)C=C2)C1(C)C	REAL300008021006	0	45	-1.0	-49.30	363.76	7.23	-42.07
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC(C3=CC=C(Cl)C=C3)C2(C)C)=C1	REAL300008021007	0	45	-1.0	-53.70	382.47	8.21	-45.49
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008021008	0	42	-1.0	-53.99	356.48	8.08	-45.91
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008021009	0	45	-1.0	-43.03	348.90	7.90	-35.13
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008021010	0	42	-1.0	-52.77	355.15	6.32	-46.45
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=CC=C(Cl)C=C2)C1(C)C	REAL300008021011	0	45	-1.0	-49.30	363.76	7.23	-42.07
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008021012	0	44	-1.0	-52.21	377.08	7.33	-44.88
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008021013	0	44	-1.0	-55.63	371.29	7.29	-48.34
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008021014	0	42	-1.0	-45.40	363.10	5.51	-39.89
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CC=C(Cl)C=C2)C1(C)C	REAL300008021015	0	45	-1.0	-55.44	382.19	7.00	-48.44
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008021016	0	45	-1.0	-53.19	368.06	8.35	-44.84
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008021017	0	48	-1.0	-56.08	385.49	8.96	-47.12
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008021018	0	45	-1.0	-54.95	374.34	8.52	-46.43
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008021019	0	42	-1.0	-45.40	363.10	5.51	-39.89
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008021020	0	47	-1.0	-47.65	369.85	7.33	-40.32
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008021021	0	42	-1.0	-52.77	355.15	6.32	-46.45
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021022	0	45	-1.0	-60.08	351.03	8.63	-51.45
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008021023	0	44	-1.0	-59.91	365.54	8.37	-51.54
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1	REAL300008021024	0	48	-1.0	-48.90	369.35	7.67	-41.23
O=C([O-])C1=CC=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021025	0	48	-1.0	-53.51	365.89	7.93	-45.58
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021026	0	51	-1.0	-57.99	378.35	8.70	-49.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021027	0	52	-1.0	-55.71	387.20	8.04	-47.67
CC1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1C(=O)[O-]	REAL300008021028	0	51	-1.0	-53.53	382.04	8.49	-45.04
O=C([O-])C1=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=CS1	REAL300008021029	0	45	-1.0	-47.05	345.57	7.65	-39.40
O=C([O-])C1=CC=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021030	0	48	-1.0	-53.51	365.89	7.93	-45.58
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1	REAL300008021031	0	48	-1.0	-48.90	369.35	7.67	-41.23
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021032	0	48	-1.0	-52.05	356.22	8.77	-43.28
O=C([O-])C1=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=CN1	REAL300008021033	0	46	-1.0	-51.06	356.23	5.68	-45.38
O=C([O-])CN1C=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=N1	REAL300008021034	0	48	-1.0	-50.65	371.98	6.02	-44.63
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)S1	REAL300008021035	0	45	-1.0	-48.30	362.02	6.81	-41.49
O=C([O-])C1=CNN=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021036	0	45	-1.0	-58.37	339.96	5.45	-52.92
O=C([O-])C1CCCN(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C1	REAL300008021037	0	53	-1.0	-47.41	376.72	6.87	-40.54
O=C([O-])C1CCN(S(=O)(=O)NC(C2CCCC2)C2CCCC2)CC1	REAL300008021038	0	53	-1.0	-46.24	375.01	6.91	-39.33
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021039	0	48	-1.0	-52.05	356.22	8.77	-43.28
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021040	0	48	-1.0	-45.36	370.52	9.20	-36.16
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)O1	REAL300008021041	0	45	-1.0	-51.31	351.07	6.38	-44.93
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)O1	REAL300008021042	0	48	-1.0	-50.20	371.13	6.94	-43.26
O=C([O-])CCCS(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021043	0	47	-1.0	-50.77	351.16	6.57	-44.20
O=C([O-])C1CCCN1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021044	0	50	-1.0	-47.11	354.32	6.74	-40.37
O=C([O-])C1=CC=C(CS(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1	REAL300008021045	0	51	-1.0	-55.99	389.18	8.69	-47.30
O=C([O-])C1CCN(S(=O)(=O)NC(C2CCCC2)C2CCCC2)CC1	REAL300008021046	0	53	-1.0	-46.24	375.01	6.91	-39.33
O=C([O-])C1=CC=CC(CS(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021047	0	51	-1.0	-58.33	388.93	8.66	-49.67
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)O1	REAL300008021048	0	45	-1.0	-51.31	351.07	6.38	-44.93
O=C([O-])COC1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1	REAL300008021049	0	52	-1.0	-48.01	396.07	7.80	-40.21
O=C([O-])CCCS(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021050	0	47	-1.0	-50.77	351.16	6.57	-44.20
O=C([O-])C1=CSC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021051	0	45	-1.0	-49.90	363.11	6.71	-43.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1C	REAL300008021052	0	54	-1.0	-57.63	389.84	9.08	-48.55
CC1=CC=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1C(=O)[O-]	REAL300008021053	0	51	-1.0	-54.84	377.74	8.96	-45.88
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021054	0	55	-1.0	-54.33	422.90	7.72	-46.61
O=C([O-])C1=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=CS1	REAL300008021055	0	45	-1.0	-51.67	357.46	6.68	-44.99
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021056	0	51	-1.0	-49.93	372.60	8.51	-41.42
O=C([O-])CC1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1	REAL300008021057	0	51	-1.0	-47.34	391.54	8.44	-38.90
O=C([O-])C1=COC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021058	0	45	-1.0	-49.59	353.28	6.18	-43.41
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021059	0	51	-1.0	-51.51	389.30	8.75	-42.76
CC1=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C(C(=O)[O-])O1	REAL300008021060	0	48	-1.0	-53.68	362.60	6.94	-46.74
O=C([O-])C1=CN=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021061	0	47	-1.0	-47.32	361.17	6.08	-41.24
O=C([O-])C1=NSC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021062	0	44	-1.0	-52.23	342.17	6.01	-46.22
O=C([O-])C1=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)SC=N1	REAL300008021063	0	44	-1.0	-56.20	345.77	5.56	-50.64
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021064	0	47	-1.0	-55.30	350.83	6.84	-48.46
O=C([O-])CCCCCS(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021065	0	53	-1.0	-51.58	394.42	8.15	-43.43
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=N1	REAL300008021066	0	47	-1.0	-51.18	361.78	6.11	-45.07
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021067	0	48	-1.0	-47.85	384.56	8.50	-39.35
COC1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1C(=O)[O-]	REAL300008021068	0	52	-1.0	-59.16	393.15	8.00	-51.16
CC1=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=CC=C1C(=O)[O-]	REAL300008021069	0	51	-1.0	-48.38	382.20	8.53	-39.85
CN(CCC(=O)[O-])S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021070	0	49	-1.0	-47.74	361.21	6.71	-41.03
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021071	0	55	-1.0	-54.33	422.90	7.72	-46.61
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021072	0	48	-1.0	-47.85	384.56	8.50	-39.35
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021073	0	48	-1.0	-49.44	366.30	8.35	-41.09
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021074	0	51	-1.0	-51.45	390.56	9.02	-42.43
O=C([O-])C1=CC=C(CS(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1	REAL300008021075	0	51	-1.0	-55.99	389.18	8.69	-47.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021076	0	52	-1.0	-55.71	387.20	8.04	-47.67
CC1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1C(=O)[O-]	REAL300008021077	0	51	-1.0	-53.53	382.04	8.49	-45.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021078	0	51	-1.0	-57.99	378.35	8.70	-49.29
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021079	0	52	-1.0	-46.25	390.94	8.31	-37.94
O=C([O-])CC1(CS(=O)(=O)NC(C2CCCC2)C2CCCC2)CC1	REAL300008021080	0	51	-1.0	-48.34	375.21	7.84	-40.50
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021081	0	51	-1.0	-51.51	389.30	8.75	-42.76
COC1=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)SC(C(=O)[O-])=C1	REAL300008021082	0	49	-1.0	-47.53	386.38	7.12	-40.41
O=C([O-])C1CC2=CC(S(=O)(=O)NC(C3CCCC3)C3CCCC3)=CC=C2O1	REAL300008021083	0	53	-1.0	-49.59	403.93	8.64	-40.95
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC(C3CCCC3)C3CCCC3)C=C2)CC1	REAL300008021084	0	55	-1.0	-52.32	412.17	9.79	-42.53
CCC1=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C(C(=O)[O-])O1	REAL300008021085	0	51	-1.0	-54.55	388.53	7.67	-46.88
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021086	0	50	-1.0	-45.35	384.38	9.47	-35.88
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021087	0	50	-1.0	-39.25	375.48	9.16	-30.09
CC1=NC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1C(=O)[O-]	REAL300008021088	0	50	-1.0	-47.70	377.31	6.66	-41.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021089	0	52	-1.0	-49.09	391.60	7.77	-41.32
COC1=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=CC=C1C(=O)[O-]	REAL300008021090	0	52	-1.0	-54.44	393.09	8.01	-46.43
COC1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C(CC(=O)[O-])=C1	REAL300008021091	0	55	-1.0	-58.46	404.74	8.13	-50.33
O=C([O-])CC1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1F	REAL300008021092	0	51	-1.0	-50.66	393.47	8.75	-41.91
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1	REAL300008021093	0	57	-1.0	-47.84	419.77	9.63	-38.21
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021094	0	48	-1.0	-50.52	355.10	6.04	-44.48
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021095	0	48	-1.0	-52.59	371.02	7.06	-45.53
O=C([O-])C1=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=CC=C1Cl	REAL300008021096	0	48	-1.0	-51.42	378.44	8.33	-43.09
O=C([O-])C1=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)OC=C1	REAL300008021097	0	45	-1.0	-59.51	340.82	6.89	-52.62
O=C([O-])C1(S(=O)(=O)NC(C2CCCC2)C2CCCC2)CCC1	REAL300008021098	0	48	-1.0	-42.59	339.24	6.99	-35.60
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021099	0	52	-1.0	-50.20	383.16	8.00	-42.20
O=C([O-])C1=CNN=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021100	0	45	-1.0	-58.37	339.96	5.45	-52.92
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021101	0	48	-1.0	-50.52	355.10	6.04	-44.48
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1C(=O)[O-]	REAL300008021102	0	50	-2.0	-140.50	392.77	8.91	-131.59
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021103	0	55	-1.0	-54.03	405.14	7.90	-46.13
O=C([O-])C1=CC=NC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021104	0	47	-1.0	-49.34	354.31	6.97	-42.37
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021105	0	51	-1.0	-56.55	377.85	9.10	-47.45
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C1	REAL300008021106	0	45	-1.0	-46.86	366.19	6.70	-40.16
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2CCCC2)C2CCCC2)=C1	REAL300008021106	1	44	-2.0	-100.02	364.48	6.13	-93.89
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021107	0	55	-1.0	-55.24	410.04	8.99	-46.25
COC1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C(C(=O)[O-])=C1	REAL300008021108	0	52	-1.0	-52.46	385.80	8.12	-44.34
O=C([O-])C1=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=CC=N1	REAL300008021109	0	47	-1.0	-56.42	362.08	6.16	-50.26
O=C([O-])C1=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=NN1	REAL300008021110	0	45	-1.0	-44.46	345.66	4.73	-39.73
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021111	0	48	-1.0	-56.15	367.06	5.69	-50.46
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC(C2CCCC2)C2CCCC2)C1	REAL300008021112	0	48	-1.0	-52.82	356.60	6.73	-46.09
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC(C2CCCC2)C2CCCC2)C1	REAL300008021113	0	51	-1.0	-53.36	369.10	7.57	-45.79
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)S1	REAL300008021114	0	48	-1.0	-49.97	380.01	7.37	-42.60
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021115	0	51	-1.0	-47.96	384.98	9.21	-38.75
O=C([O-])C1=NC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=C2C=CC=CN21	REAL300008021116	0	51	-1.0	-67.10	393.07	6.57	-60.53
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC(C3CCCC3)C3CCCC3)=C2C=C1	REAL300008021117	0	51	-1.0	-44.70	389.54	10.09	-34.61
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021118	0	48	-1.0	-53.26	359.76	7.04	-46.22
O=C([O-])C1CCCCN1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021119	0	53	-1.0	-54.10	369.31	8.54	-45.56
O=C([O-])C1=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=NN1	REAL300008021120	0	45	-1.0	-44.46	345.66	4.73	-39.73
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021121	0	50	-1.0	-45.44	359.30	6.79	-38.65
O=C([O-])C1=CNN=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021122	0	45	-1.0	-58.37	339.96	5.45	-52.92
O=C([O-])C1=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C(Cl)S1	REAL300008021123	0	45	-1.0	-42.58	364.62	8.29	-34.29
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021124	0	48	-1.0	-57.59	341.97	7.46	-50.13
CC1=CC(S(=O)(=O)NC(C2CCCC2)C2CCCC2)=CN=C1C(=O)[O-]	REAL300008021125	0	50	-1.0	-51.08	378.46	6.71	-44.37
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021126	0	51	-1.0	-47.96	384.98	9.21	-38.75
CCOC1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1C(=O)[O-]	REAL300008021127	0	55	-1.0	-60.51	415.18	8.90	-51.61
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC(C3CCCC3)C3CCCC3)C=C2C1	REAL300008021128	0	55	-1.0	-51.70	411.47	9.80	-41.90
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC(C1CCCC1)C1CCCC1	REAL300008021129	0	47	-1.0	-44.45	342.91	6.70	-37.75
CS(=O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008021130	0	33	-1.0	-57.57	310.48	1.43	-56.14
CS(=O)CCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008021131	0	33	-1.0	-61.76	310.51	1.42	-60.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021132	0	36	-1.0	-66.11	325.16	2.33	-63.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021133	0	37	-1.0	-65.55	330.89	1.25	-64.30
CC1=CC=C(S(=O)(=O)NCCCS(C)=O)C=C1C(=O)[O-]	REAL300008021134	0	36	-1.0	-61.25	326.54	1.96	-59.29
CS(=O)CCCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008021135	0	30	-1.0	-54.60	293.65	1.22	-53.38
CS(=O)CCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008021136	0	33	-1.0	-61.76	310.51	1.42	-60.34
CS(=O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008021137	0	33	-1.0	-57.57	310.48	1.43	-56.14
CS(=O)CCCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008021138	0	33	-1.0	-57.83	299.75	2.29	-55.54
CS(=O)CCCNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008021139	0	33	-1.0	-61.47	315.06	-0.45	-61.92
CS(=O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008021140	0	30	-1.0	-56.13	302.75	0.56	-55.57
CS(=O)CCCNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008021141	0	38	-1.0	-57.50	325.91	0.44	-57.06
CS(=O)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008021142	0	38	-1.0	-62.86	327.53	0.56	-62.30
CS(=O)CCCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008021143	0	33	-1.0	-57.83	299.75	2.29	-55.54
CS(=O)CCCNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008021144	0	33	-1.0	-51.68	316.62	2.80	-48.88
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCCS(C)=O)O1	REAL300008021145	0	33	-1.0	-58.22	313.48	0.26	-57.96
CS(=O)CCCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008021146	0	36	-1.0	-65.89	334.28	2.15	-63.74
CS(=O)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008021147	0	38	-1.0	-62.86	327.53	0.56	-62.30
CS(=O)CCCNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008021148	0	36	-1.0	-72.20	334.29	2.14	-70.06
CS(=O)CCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008021149	0	37	-1.0	-57.93	341.59	1.71	-56.22
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021150	0	37	-1.0	-52.62	349.50	2.40	-50.22
CS(=O)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008021151	0	30	-1.0	-58.33	303.68	0.45	-57.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCS(C)=O)=C1C	REAL300008021152	0	39	-1.0	-67.22	342.09	2.86	-64.36
CC1=CC=CC(S(=O)(=O)NCCCS(C)=O)=C1C(=O)[O-]	REAL300008021153	0	36	-1.0	-61.67	327.84	2.58	-59.09
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCS(C)=O)=C1	REAL300008021154	0	40	-1.0	-62.41	365.57	1.14	-61.27
CS(=O)CCCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008021155	0	30	-1.0	-60.04	302.16	0.45	-59.59
CS(=O)CCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008021156	0	36	-1.0	-50.29	338.58	3.28	-47.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCCS(C)=O	REAL300008021157	0	36	-1.0	-56.41	320.41	2.10	-54.31
CS(=O)CCCNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008021158	0	36	-1.0	-60.36	338.03	3.75	-56.61
CS(=O)CCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008021159	0	36	-1.0	-59.05	332.67	2.21	-56.84
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCCS(C)=O)C=C1[N+](=O)[O-]	REAL300008021160	0	38	-1.0	-51.25	348.74	2.45	-48.80
CS(=O)CCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008021161	0	36	-1.0	-62.11	332.67	2.20	-59.91
CC1=C(S(=O)(=O)NCCCS(C)=O)C=C(C(=O)[O-])O1	REAL300008021162	0	33	-1.0	-62.49	315.24	0.52	-61.97
CS(=O)CCCNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008021163	0	32	-1.0	-55.55	305.66	-0.38	-55.93
CS(=O)CCCNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008021164	0	29	-1.0	-58.09	288.00	-0.33	-58.42
CS(=O)CCCNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008021165	0	29	-1.0	-66.27	292.06	-0.86	-67.13
CS(=O)CCCNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008021166	0	32	-1.0	-60.76	296.70	0.51	-60.25
CS(=O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008021167	0	32	-1.0	-59.37	306.35	-0.37	-59.74
CS(=O)CCCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008021168	0	33	-1.0	-56.23	327.22	1.93	-54.30
CS(=O)CCCNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008021169	0	33	-1.0	-56.14	331.78	2.04	-54.10
COC1=CC=C(S(=O)(=O)NCCCS(C)=O)C=C1C(=O)[O-]	REAL300008021170	0	37	-1.0	-67.02	337.79	1.49	-65.53
CC1=CC(S(=O)(=O)NCCCS(C)=O)=CC=C1C(=O)[O-]	REAL300008021171	0	36	-1.0	-56.85	326.51	1.97	-54.88
CS(=O)CCCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008021172	0	38	-1.0	-60.47	343.25	1.84	-58.63
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCS(C)=O)=C1	REAL300008021173	0	40	-1.0	-62.41	365.57	1.14	-61.27
CS(=O)CCCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008021174	0	33	-1.0	-56.23	327.22	1.93	-54.30
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCCS(C)=O	REAL300008021175	0	33	-1.0	-59.39	310.61	1.92	-57.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021176	0	36	-1.0	-59.92	338.94	2.75	-57.17
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCCCS(C)=O)C=C21	REAL300008021177	0	39	-1.0	-60.69	357.46	2.76	-57.93
CS(=O)CCCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008021178	0	36	-1.0	-65.89	334.28	2.15	-63.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021179	0	37	-1.0	-65.55	330.89	1.25	-64.30
CC1=CC=C(S(=O)(=O)NCCCS(C)=O)C=C1C(=O)[O-]	REAL300008021180	0	36	-1.0	-61.25	326.54	1.96	-59.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021181	0	36	-1.0	-66.11	325.16	2.33	-63.78
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021182	0	37	-1.0	-55.07	344.75	1.46	-53.61
CS(=O)CCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008021183	0	36	-1.0	-62.11	332.67	2.20	-59.91
COC1=C(S(=O)(=O)NCCCS(C)=O)SC(C(=O)[O-])=C1	REAL300008021184	0	34	-1.0	-55.60	328.67	-0.30	-55.90
CC1=C(Br)C=C(S(=O)(=O)NCCCS(C)=O)C=C1C(=O)[O-]	REAL300008021185	0	36	-1.0	-56.23	348.34	2.59	-53.64
CS(=O)CCCNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008021186	0	38	-1.0	-59.59	347.32	2.09	-57.50
CS(=O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008021187	0	36	-1.0	-56.20	340.62	2.24	-53.96
CS(=O)CCCNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008021188	0	40	-1.0	-58.45	354.47	3.25	-55.20
CCC1=C(S(=O)(=O)NCCCS(C)=O)C=C(C(=O)[O-])O1	REAL300008021189	0	36	-1.0	-62.16	334.84	1.34	-60.82
CS(=O)CCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008021190	0	35	-1.0	-51.29	328.05	2.95	-48.34
CS(=O)CCCNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008021191	0	36	-1.0	-60.26	348.37	2.92	-57.34
CS(=O)CCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008021192	0	35	-1.0	-47.53	328.03	2.95	-44.58
CC1=NC=C(S(=O)(=O)NCCCS(C)=O)C=C1C(=O)[O-]	REAL300008021193	0	35	-1.0	-54.97	321.95	0.14	-54.83
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCCS(C)=O	REAL300008021194	0	37	-1.0	-57.42	330.92	1.25	-56.17
COC1=CC(S(=O)(=O)NCCCS(C)=O)=CC=C1C(=O)[O-]	REAL300008021195	0	37	-1.0	-62.59	337.77	1.50	-61.09
COC1=CC=C(S(=O)(=O)NCCCS(C)=O)C(CC(=O)[O-])=C1	REAL300008021196	0	40	-1.0	-67.29	352.37	1.91	-65.38
CS(=O)CCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008021197	0	36	-1.0	-60.98	338.08	2.25	-58.73
CS(=O)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008021198	0	36	-1.0	-54.73	349.21	2.42	-52.31
CS(=O)CCCNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008021199	0	42	-1.0	-60.77	365.41	3.10	-57.67
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCCS(C)=O	REAL300008021200	0	33	-1.0	-60.38	302.39	-0.25	-60.63
CS(=O)CCCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008021201	0	39	-1.0	-59.11	346.75	3.64	-55.47
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCCS(C)=O)=C1	REAL300008021202	0	33	-1.0	-58.93	313.22	0.39	-58.54
CS(=O)CCCNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008021203	0	33	-1.0	-51.54	321.18	2.91	-48.63
CS(=O)CCCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008021204	0	33	-1.0	-59.36	323.02	1.82	-57.54
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCCS(C)=O)=C1	REAL300008021205	0	37	-1.0	-56.34	329.28	1.59	-54.75
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCCCS(C)=O)=C1OC	REAL300008021206	0	45	-1.0	-59.29	389.47	2.53	-56.76
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCCS(C)=O	REAL300008021207	0	33	-1.0	-60.38	302.39	-0.25	-60.63
CS(=O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008021208	0	35	-2.0	-141.15	337.37	2.39	-138.76
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021209	0	40	-1.0	-63.87	356.90	1.56	-62.31
CS(=O)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008021210	0	32	-1.0	-60.75	303.95	-0.25	-61.00
CS(=O)CCCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008021211	0	36	-1.0	-67.15	323.96	2.56	-64.59
CS(=O)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008021212	0	30	-1.0	-54.59	310.15	0.07	-54.52
CS(=O)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008021212	1	29	-2.0	-104.52	307.91	-0.29	-104.81
CS(=O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008021213	0	39	-1.0	-59.59	346.40	3.65	-55.94
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021214	0	40	-1.0	-65.17	352.74	2.17	-63.00
COC1=CC=C(S(=O)(=O)NCCCS(C)=O)C(C(=O)[O-])=C1	REAL300008021215	0	37	-1.0	-58.28	329.18	1.59	-56.69
CS(=O)CCCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008021216	0	32	-1.0	-63.63	306.57	-0.36	-63.99
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCCCS(C)=O	REAL300008021217	0	33	-1.0	-62.63	312.02	-0.83	-63.46
CS(=O)CCCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008021218	0	39	-1.0	-61.54	356.40	3.69	-57.85
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCCS(C)=O)S1	REAL300008021219	0	33	-1.0	-58.42	321.78	1.15	-57.27
CS(=O)CCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008021220	0	39	-1.0	-60.25	345.53	4.58	-55.67
CS(=O)CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008021221	0	36	-1.0	-56.47	335.28	3.02	-53.45
CS(=O)CCCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008021222	0	36	-1.0	-67.31	323.01	2.57	-64.74
CS(=O)CCCNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008021223	0	33	-1.0	-57.77	340.22	2.01	-55.76
CS(=O)CCCNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008021224	0	36	-1.0	-72.34	336.25	0.17	-72.17
CS(=O)CCCNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008021225	0	36	-1.0	-54.60	337.10	2.66	-51.94
CS(=O)CCCNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008021226	0	38	-1.0	-61.29	317.52	1.49	-59.80
CS(=O)CCCNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008021227	0	30	-1.0	-49.76	310.65	1.84	-47.92
CC1=CC(S(=O)(=O)NCCCS(C)=O)=CN=C1C(=O)[O-]	REAL300008021228	0	35	-1.0	-59.84	323.18	0.18	-59.66
CS(=O)CCCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008021229	0	36	-1.0	-67.31	323.01	2.57	-64.74
CCOC1=CC=C(S(=O)(=O)NCCCS(C)=O)C=C1C(=O)[O-]	REAL300008021230	0	40	-1.0	-67.72	359.64	2.40	-65.32
CS(=O)CCCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008021231	0	40	-1.0	-61.80	355.93	3.31	-58.49
CS(=O)CCCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008021232	0	32	-1.0	-52.34	295.32	0.49	-51.85
CS(=O)CCCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008021233	0	38	-1.0	-64.50	352.25	1.81	-62.69
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008021234	0	32	-1.0	-47.16	311.48	7.16	-40.00
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008021235	0	32	-1.0	-52.56	311.57	7.15	-45.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(Br)C=C1	REAL300008021236	0	35	-1.0	-59.08	308.58	7.34	-51.74
CC1=CC=C(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)C=C1C(=O)[O-]	REAL300008021237	0	35	-1.0	-51.98	327.25	7.71	-44.27
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008021238	0	29	-1.0	-59.34	291.71	6.64	-52.70
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008021239	0	32	-1.0	-52.56	311.57	7.15	-45.41
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008021240	0	32	-1.0	-47.16	311.48	7.16	-40.00
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008021241	0	32	-1.0	-64.20	295.97	8.00	-56.20
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008021242	0	30	-1.0	-51.73	299.23	4.67	-47.06
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008021243	0	32	-1.0	-51.40	315.36	5.02	-46.38
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008021244	0	29	-1.0	-46.52	302.66	6.07	-40.45
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008021245	0	29	-1.0	-48.97	276.09	3.87	-45.10
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008021246	0	32	-1.0	-64.20	295.97	8.00	-56.20
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008021247	0	29	-1.0	-51.05	297.08	5.42	-45.63
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)O1	REAL300008021248	0	32	-1.0	-49.82	313.67	5.78	-44.04
CN(C1=CC=C(Br)C=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300008021249	0	31	-1.0	-50.96	291.44	5.63	-45.33
CN(C1=CC=C(Br)C=C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008021250	0	35	-1.0	-56.55	326.79	7.74	-48.81
CN(C1=CC=C(Br)C=C1)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008021251	0	35	-1.0	-59.69	326.77	7.74	-51.95
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008021252	0	29	-1.0	-51.05	297.08	5.42	-45.63
CN(C1=CC=C(Br)C=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300008021253	0	31	-1.0	-50.96	291.44	5.63	-45.33
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008021254	0	29	-1.0	-51.35	292.98	5.91	-45.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)=C1C	REAL300008021255	0	38	-1.0	-51.09	337.02	8.37	-42.72
CC1=CC=CC(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)=C1C(=O)[O-]	REAL300008021256	0	35	-1.0	-52.83	309.20	7.84	-44.99
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008021257	0	29	-1.0	-53.20	293.45	5.91	-47.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C1=CC=C(Br)C=C1	REAL300008021258	0	35	-1.0	-54.27	314.40	7.69	-46.58
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008021259	0	35	-1.0	-48.91	325.01	7.66	-41.25
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008021260	0	29	-1.0	-48.40	297.31	5.17	-43.23
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008021261	0	35	-1.0	-50.09	333.71	7.93	-42.16
CC1=C(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)C=C(C(=O)[O-])O1	REAL300008021262	0	32	-1.0	-55.20	301.86	5.93	-49.27
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008021263	0	31	-1.0	-46.29	306.74	5.36	-40.93
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008021264	0	28	-1.0	-63.74	287.72	5.17	-58.57
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008021265	0	28	-1.0	-61.81	293.91	4.78	-57.03
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008021266	0	31	-1.0	-65.66	292.96	6.17	-59.49
CN(C1=CC=C(Br)C=C1)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008021267	0	37	-1.0	-52.33	334.44	7.19	-45.14
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008021268	0	31	-1.0	-49.79	306.04	5.14	-44.65
CC1=CC(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)=CC=C1C(=O)[O-]	REAL300008021269	0	35	-1.0	-47.98	318.92	7.46	-40.52
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(C)C1=CC=C(Br)C=C1	REAL300008021270	0	32	-1.0	-50.09	306.87	7.46	-42.63
CN(C1=CC=C(Br)C=C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008021271	0	35	-1.0	-56.55	326.79	7.74	-48.81
CC1=CC=C(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)C=C1C(=O)[O-]	REAL300008021272	0	35	-1.0	-51.98	327.25	7.71	-44.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(Br)C=C1	REAL300008021273	0	35	-1.0	-59.08	308.58	7.34	-51.74
CN(C1=CC=C(Br)C=C1)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008021274	0	35	-1.0	-47.18	315.72	6.89	-40.29
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008021275	0	35	-1.0	-50.09	333.71	7.93	-42.16
CCC1=C(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)C=C(C(=O)[O-])O1	REAL300008021276	0	35	-1.0	-55.16	317.97	6.43	-48.73
CC1=NC=C(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)C=C1C(=O)[O-]	REAL300008021277	0	34	-1.0	-44.48	311.50	5.53	-38.95
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008021278	0	32	-1.0	-47.78	301.96	5.48	-42.30
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)=C1	REAL300008021279	0	32	-1.0	-52.13	315.06	6.01	-46.12
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008021280	0	29	-1.0	-50.07	277.35	5.63	-44.44
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008021281	0	32	-1.0	-42.01	276.82	5.85	-36.16
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008021282	0	29	-1.0	-48.97	276.09	3.87	-45.10
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008021283	0	32	-1.0	-47.78	301.96	5.48	-42.30
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008021284	0	29	-1.0	-45.82	310.39	5.61	-40.21
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008021285	0	29	-1.0	-44.42	297.20	3.32	-41.10
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008021286	0	32	-1.0	-56.00	307.45	4.56	-51.44
CN(C1=CC=C(Br)C=C1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008021287	0	32	-1.0	-51.34	295.96	6.15	-45.19
CN(C1=CC=C(Br)C=C1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008021288	0	35	-1.0	-52.18	308.65	6.65	-45.53
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)S1	REAL300008021289	0	32	-1.0	-51.35	309.87	6.58	-44.77
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008021290	0	35	-1.0	-61.52	317.55	8.15	-53.37
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008021291	0	32	-1.0	-52.82	302.09	6.36	-46.46
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008021292	0	29	-1.0	-44.42	297.20	3.32	-41.10
CN(C1=CC=C(Br)C=C1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021293	0	32	-1.0	-56.50	291.06	6.69	-49.81
CC1=CC(S(=O)(=O)N(C)C2=CC=C(Br)C=C2)=CN=C1C(=O)[O-]	REAL300008021294	0	34	-1.0	-51.15	324.07	5.73	-45.42
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008021295	0	35	-1.0	-61.52	317.55	8.15	-53.37
CN(C1=CC=C(Br)C=C1)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008021296	0	31	-1.0	-57.28	293.84	6.18	-51.10
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2OCCC3=CC=CC=C32)C=C1	REAL300008021297	0	43	-1.0	-51.54	365.16	5.96	-45.58
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2OCCC3=CC=CC=C32)=C1	REAL300008021298	0	43	-1.0	-55.59	365.17	5.95	-49.64
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCC2=CC=CC=C21	REAL300008021299	0	46	-1.0	-59.04	379.82	6.86	-52.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCC2=CC=CC=C21	REAL300008021300	0	47	-1.0	-57.22	385.58	5.77	-51.45
CC1=CC=C(S(=O)(=O)NCCC2OCCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300008021301	0	46	-1.0	-54.51	381.20	6.49	-48.02
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COC1=C(S(=O)(=O)NCCC2OCCC3=CC=CC=C32)SC(C(=O)[O-])=C1	REAL300008021351	0	44	-1.0	-49.62	383.41	4.23	-45.39
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CC1=NC=C(S(=O)(=O)NCCC2OCCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300008021353	0	45	-1.0	-48.90	376.61	4.67	-44.23
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CC1=CC(S(=O)(=O)NCCC2OCCC3=CC=CC=C32)=CN=C1C(=O)[O-]	REAL300008021382	0	45	-1.0	-54.21	377.85	4.71	-49.50
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CCC(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021385	0	41	-1.0	-47.40	339.38	6.17	-41.23
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021386	0	32	-1.0	-40.89	290.15	5.13	-35.76
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CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021388	0	35	-1.0	-56.26	318.10	1.29	-54.97
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COC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1OC	REAL300008021390	0	40	-1.0	-44.57	327.27	3.72	-40.85
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021391	0	32	-1.0	-41.59	285.47	5.02	-36.57
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CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021396	0	34	-1.0	-58.82	286.80	6.21	-52.61
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CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021399	0	40	-1.0	-51.20	343.31	5.41	-45.79
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CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300008021401	0	35	-1.0	-47.48	306.64	1.40	-46.08
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021402	0	38	-1.0	-58.82	342.42	1.98	-56.84
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C)=C1C	REAL300008021403	0	39	-1.0	-45.41	313.69	4.34	-41.07
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008021404	0	34	-1.0	-57.66	318.65	4.08	-53.58
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008021405	0	32	-1.0	-44.90	302.50	5.11	-39.79
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008021406	0	34	-1.0	-52.44	298.42	4.16	-48.28
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021407	0	46	-1.0	-49.99	395.43	2.96	-47.03
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300008021408	0	39	-1.0	-56.64	329.18	-0.61	-57.25
CC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008021409	0	38	-1.0	-51.23	327.76	5.02	-46.21
CCN1N=C(C)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1C	REAL300008021410	0	38	-1.0	-47.56	316.62	3.40	-44.16
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021411	0	38	-1.0	-49.05	325.89	4.58	-44.47
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021412	0	41	-1.0	-48.18	307.60	6.08	-42.10
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008021413	0	42	-1.0	-53.76	358.73	6.63	-47.13
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021414	0	37	-1.0	-49.99	324.03	3.17	-46.82
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300008021415	0	35	-1.0	-46.01	325.01	4.93	-41.08
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1OC	REAL300008021416	0	37	-1.0	-45.59	329.94	3.30	-42.29
COC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C(OC)C=C1Br	REAL300008021417	0	37	-1.0	-44.92	334.93	3.78	-41.14
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Br	REAL300008021418	0	32	-1.0	-48.17	300.20	4.77	-43.40
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008021419	0	35	-1.0	-45.26	309.99	6.47	-38.79
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008021420	0	34	-1.0	-38.22	308.72	5.43	-32.79
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Cl	REAL300008021421	0	40	-1.0	-46.82	378.35	4.51	-42.31
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008021422	0	33	-1.0	-48.88	302.85	3.41	-45.47
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008021423	0	36	-1.0	-55.53	323.31	5.01	-50.52
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021424	0	44	-1.0	-47.10	356.45	4.95	-42.15
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008021425	0	32	-1.0	-47.92	289.58	4.64	-43.28
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021426	0	40	-1.0	-60.08	341.52	3.32	-56.76
CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008022001	0	43	-1.0	-60.24	363.48	3.09	-57.15
CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300008022002	0	40	-1.0	-52.75	359.61	2.29	-50.46
CCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300008022003	0	41	-1.0	-47.17	350.32	1.15	-46.02
CCCC(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300008022004	0	38	-1.0	-50.55	348.49	4.68	-45.87
CCCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008022005	0	45	-1.0	-47.29	383.57	6.86	-40.43
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008022006	0	35	-1.0	-39.63	313.29	4.33	-35.30
CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008022007	0	37	-1.0	-52.53	357.22	1.91	-50.62
CCCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300008022008	0	38	-1.0	-45.82	346.32	4.39	-41.43
CCCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008022009	0	45	-1.0	-45.63	388.54	5.75	-39.88
CCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300008022010	0	38	-1.0	-41.50	327.55	5.13	-36.37
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008022011	0	43	-1.0	-46.42	368.52	5.39	-41.03
CCCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300008022012	0	38	-1.0	-46.45	336.90	-1.49	-47.94
CCCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008022013	0	37	-1.0	-45.87	329.15	5.10	-40.77
CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008022014	0	34	-1.0	-42.41	331.18	5.77	-36.64
CCCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008022015	0	37	-1.0	-42.33	338.02	6.55	-35.78
CCCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008022016	0	34	-1.0	-52.12	329.39	5.64	-46.48
CCCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008022017	0	37	-1.0	-57.53	332.80	6.54	-50.99
CCCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008022018	0	37	-1.0	-55.36	337.78	5.58	-49.78
CCCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008022019	0	42	-1.0	-44.96	357.52	5.13	-39.83
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008022020	0	45	-1.0	-57.53	392.18	7.21	-50.32
CCCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008022021	0	44	-1.0	-57.66	384.41	5.33	-52.33
CCCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008022022	0	42	-1.0	-45.17	373.05	0.82	-44.35
CCCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008022023	0	40	-1.0	-45.72	346.33	6.80	-38.92
CCCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008022024	0	42	-1.0	-52.77	351.36	4.44	-48.33
CCCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008022025	0	37	-1.0	-44.43	337.82	5.75	-38.68
CCCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008022026	0	36	-1.0	-44.96	298.64	1.10	-43.86
CCCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008022027	0	44	-1.0	-42.74	357.78	4.22	-38.52
CCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300008022028	0	38	-1.0	-55.44	333.57	4.29	-51.15
CCCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008022029	0	40	-1.0	-51.74	360.82	2.03	-49.71
CCCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300008022030	0	35	-1.0	-50.37	331.94	5.26	-45.11
CCCC(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300008022031	0	43	-1.0	-51.65	349.54	4.24	-47.41
CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008022032	0	39	-1.0	-47.13	348.96	2.40	-44.73
CCCC(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300008022033	0	38	-1.0	-45.80	338.69	1.58	-44.22
CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008022034	0	42	-1.0	-48.93	373.30	3.61	-45.32
CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008022035	0	36	-1.0	-45.59	322.17	2.98	-42.61
CCCC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300008022036	0	37	-1.0	-52.52	343.91	6.66	-45.86
CCCC(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300008022037	0	49	-1.0	-42.55	375.38	8.10	-34.45
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300008022038	0	45	-2.0	-105.15	396.60	1.04	-104.11
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300008022038	1	46	-1.0	-66.04	394.44	0.91	-65.13
CCCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008022039	0	38	-1.0	-52.99	321.32	3.82	-49.17
CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008022040	0	37	-1.0	-40.99	346.41	1.92	-39.07
CCCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008022041	0	40	-1.0	-44.79	339.82	7.48	-37.31
CCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300008022042	0	38	-1.0	-51.42	323.23	3.94	-47.48
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008022043	0	40	-1.0	-43.23	331.54	5.08	-38.15
CCCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300008022044	0	49	0.0	-85.31	391.29	4.90	-80.41
CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008022045	0	39	-1.0	-46.42	344.98	5.10	-41.32
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300008022046	0	38	-1.0	-41.75	347.34	4.03	-37.72
CCCC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300008022047	0	37	-1.0	-56.93	327.36	5.18	-51.75
CCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300008022048	0	43	0.0	-84.32	355.18	5.69	-78.63
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008022049	0	31	-1.0	-50.85	310.03	4.01	-46.84
CCCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008022050	0	44	-1.0	-56.91	365.38	7.06	-49.85
CCCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008022051	0	42	-1.0	-56.28	358.50	4.50	-51.78
CCCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008022052	0	40	-1.0	-66.44	338.00	0.93	-65.51
CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008022053	0	34	-1.0	-53.21	314.41	4.27	-48.94
CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008022053	1	33	-2.0	-128.11	306.42	4.58	-123.53
CCCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300008022054	0	36	-1.0	-55.69	325.64	2.98	-52.71
CCCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300008022055	0	43	-1.0	-45.98	361.65	5.53	-40.45
CCCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008022056	0	42	-1.0	-54.45	346.28	0.88	-53.57
CCCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008022057	0	40	-1.0	-54.07	330.23	4.92	-49.15
CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C(=O)[O-]	REAL300008022058	0	46	-1.0	-55.76	400.41	7.02	-48.74
CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300008022059	0	50	-1.0	-51.07	418.28	4.55	-46.52
CCCC(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008022060	0	39	-1.0	-59.14	339.15	5.61	-53.53
CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008022061	0	31	-1.0	-50.37	298.07	4.41	-45.96
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008022062	0	33	-1.0	-49.51	305.23	4.43	-45.08
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008022063	0	37	-1.0	-47.35	323.76	6.13	-41.22
CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008022064	0	33	-1.0	-41.66	305.67	4.54	-37.12
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300008022065	0	36	-1.0	-59.35	317.17	5.28	-54.07
CCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022066	0	33	-1.0	-60.02	291.63	5.26	-54.76
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300008022067	0	38	-1.0	-40.87	331.31	5.11	-35.76
CCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300008022068	0	38	-1.0	-52.55	328.11	4.01	-48.54
CCCC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300008022069	0	43	-1.0	-43.48	335.64	6.44	-37.04
CCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300008022070	0	46	-1.0	-56.87	365.22	6.89	-49.98
CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008022071	0	34	-1.0	-40.59	316.18	4.87	-35.72
CCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008022072	0	34	-1.0	-59.21	294.45	4.53	-54.68
CCCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008022073	0	37	-1.0	-60.22	332.24	4.53	-55.69
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008022074	0	43	-1.0	-53.35	353.00	6.11	-47.24
CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300008022075	0	48	-1.0	-54.81	413.54	3.50	-51.31
CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008022076	0	42	-1.0	-55.67	373.35	1.72	-53.95
CCCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300008022077	0	35	-1.0	-51.04	326.88	3.73	-47.31
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008022078	0	37	-1.0	-38.78	355.60	5.86	-32.92
CCCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300008022079	0	34	-1.0	-50.47	316.26	4.97	-45.50
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300008022080	0	45	-1.0	-52.34	387.12	7.28	-45.06
CCCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008022081	0	35	-1.0	-51.00	323.00	3.55	-47.45
CCCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300008022082	0	46	-1.0	-54.00	350.76	6.85	-47.15
CCCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008022083	0	40	-1.0	-52.95	339.55	3.72	-49.23
CCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300008022084	0	47	-1.0	-44.34	366.00	5.95	-38.39
CCCC(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300008022085	0	38	-1.0	-48.72	353.23	6.22	-42.50
CCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008022086	0	36	-1.0	-59.70	321.19	4.95	-54.75
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300008022087	0	35	-1.0	-40.39	309.20	4.54	-35.85
CCCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300008022088	0	49	-1.0	-44.59	379.71	7.68	-36.91
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008022089	0	34	-1.0	-49.98	315.48	4.79	-45.19
CCCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008022090	0	41	-1.0	-53.86	339.51	6.28	-47.58
CCCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300008022091	0	39	-1.0	-44.42	317.45	3.22	-41.20
CCCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300008022092	0	39	-1.0	-52.98	335.46	2.99	-49.99
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008022093	0	39	-1.0	-54.15	332.41	6.22	-47.93
CCCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300008022094	0	46	-1.0	-53.48	380.24	7.29	-46.19
CCCC(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300008022095	0	45	-1.0	-54.68	379.43	4.81	-49.87
CCCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008022096	0	36	-1.0	-56.84	331.02	-1.26	-58.10
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008022097	0	39	-1.0	-41.91	335.47	5.90	-36.01
CCCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008022098	0	39	-1.0	-61.52	338.30	5.20	-56.32
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022099	0	37	-1.0	-47.58	318.03	4.49	-43.09
CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300008022100	0	35	-1.0	-53.84	321.93	4.17	-49.67
CCCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008022101	0	36	-1.0	-49.93	331.98	-1.20	-51.13
CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008022102	0	43	-1.0	-49.55	386.82	1.69	-47.86
CCCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008022103	0	39	-1.0	-44.04	343.97	5.45	-38.59
CCCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008022104	0	40	-1.0	-43.71	334.11	5.19	-38.52
CCCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008022105	0	39	-1.0	-47.66	333.77	5.13	-42.53
CCCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022106	0	39	-1.0	-48.69	328.51	6.44	-42.25
CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008022107	0	42	-1.0	-49.51	373.77	1.83	-47.68
CCCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008022108	0	43	-1.0	-66.46	363.49	3.14	-63.32
CCCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008022109	0	37	-1.0	-59.07	337.70	1.29	-57.78
CCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008022110	0	41	-1.0	-45.47	340.97	7.63	-37.84
CCCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008022111	0	37	-1.0	-47.75	318.44	6.19	-41.56
CCCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008022112	0	41	-1.0	-54.47	351.18	7.17	-47.30
CCCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008022113	0	45	-1.0	-54.98	369.51	5.90	-49.08
CCCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008022114	0	32	-1.0	-56.03	302.17	2.17	-53.86
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008022115	0	35	-1.0	-40.43	304.64	4.43	-36.00
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300008022116	0	46	-1.0	-53.59	367.46	6.56	-47.03
CCCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300008022117	0	34	-1.0	-54.24	312.45	4.87	-49.37
CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008022118	0	41	-1.0	-52.53	346.00	4.63	-47.90
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022119	0	36	-1.0	-43.18	327.97	6.20	-36.98
CCCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008022120	0	36	-1.0	-50.32	301.85	4.93	-45.39
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008022121	0	42	-1.0	-54.40	382.50	7.16	-47.24
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300008022122	0	37	-1.0	-51.48	333.42	4.32	-47.16
CCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300008022123	0	35	-1.0	-51.12	312.69	3.13	-47.99
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008022124	0	42	-1.0	-51.53	382.42	7.14	-44.39
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300008022125	0	46	-1.0	-52.52	394.95	5.92	-46.60
CCCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300008022126	0	58	-1.0	-44.18	437.03	9.82	-34.36
CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300008022127	0	47	-1.0	-55.59	384.13	7.00	-48.59
CCCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008022128	0	34	-1.0	-38.95	328.71	5.45	-33.50
CCCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300008022129	0	41	-1.0	-56.05	344.44	5.44	-50.61
CCCC(NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300008022130	0	47	-1.0	-44.21	397.41	1.50	-42.71
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008022131	0	36	-1.0	-49.90	317.15	5.27	-44.63
CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008022132	0	36	-1.0	-50.54	311.87	5.11	-45.43
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300008022133	0	39	-1.0	-59.28	333.59	6.14	-53.14
CCCC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300008022134	0	43	-1.0	-53.71	357.96	6.47	-47.24
CCCC(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300008022135	0	41	-1.0	-53.72	353.35	4.30	-49.42
CCCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300008022136	0	43	-1.0	-42.22	349.14	1.15	-41.07
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300008022137	0	34	-1.0	-55.28	305.91	5.10	-50.18
CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300008022138	0	41	-1.0	-44.78	349.12	4.69	-40.09
CCCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300008022139	0	47	-1.0	-53.05	388.88	6.10	-46.95
CCCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008022140	0	45	-1.0	-52.35	371.64	5.98	-46.37
CCCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300008022141	0	44	-1.0	-53.24	369.92	5.49	-47.75
CCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1	REAL300008022142	0	41	-1.0	-53.26	349.82	4.79	-48.47
CCCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300008022143	0	35	-1.0	-51.07	322.49	3.62	-47.45
CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008022144	0	35	-1.0	-51.95	332.01	3.91	-48.04
CCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300008022145	0	38	-1.0	-52.96	326.29	3.83	-49.13
CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300008022146	0	44	-1.0	-52.53	366.07	5.38	-47.15
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300008022147	0	38	-1.0	-53.95	318.34	3.91	-50.04
CCCC(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300008022148	0	42	-1.0	-55.84	361.95	3.27	-52.57
CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008022149	0	34	-1.0	-51.37	310.20	5.22	-46.15
CCCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300008022150	0	39	-1.0	-48.56	323.22	6.59	-41.97
CCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300008022151	0	40	-1.0	-65.25	349.66	2.13	-63.12
CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008022152	0	43	-1.0	-55.07	385.76	1.63	-53.44
CCCC(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300008022153	0	34	-1.0	-53.13	312.64	5.13	-48.00
CCCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300008022154	0	35	-1.0	-50.28	312.69	3.13	-47.15
CCCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008022155	0	41	-1.0	-54.45	350.98	7.20	-47.25
CCCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008022156	0	34	-1.0	-55.05	334.04	5.47	-49.58
CCCC(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300008022157	0	37	-1.0	-46.66	357.24	4.40	-42.26
CCCC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008022158	0	51	-1.0	-52.00	411.33	7.40	-44.60
CCCC(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300008022159	0	39	-1.0	-55.64	341.77	1.43	-54.21
CCCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300008022160	0	41	-1.0	-44.69	332.93	4.62	-40.07
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008022161	0	42	-1.0	-46.93	359.77	7.92	-39.01
CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300008022162	0	41	-1.0	-43.71	339.14	4.70	-39.01
CCCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300008022163	0	39	-1.0	-54.95	322.89	5.00	-49.95
CCCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008022164	0	36	-1.0	-46.11	308.70	4.23	-41.88
CCCC(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022165	0	36	-1.0	-53.90	325.41	4.63	-49.27
CCCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022165	1	35	-2.0	-132.06	318.65	5.07	-126.99
CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008022166	0	38	-1.0	-53.21	347.68	4.47	-48.74
CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008022167	0	45	-1.0	-53.70	388.25	7.05	-46.65
CCCC(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300008022168	0	39	-1.0	-59.05	340.08	5.03	-54.02
CCCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008022169	0	41	-1.0	-46.15	363.78	5.40	-40.75
CCCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300008022170	0	53	-1.0	-52.98	406.21	6.43	-46.55
CCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008022171	0	39	-1.0	-57.83	354.06	0.38	-57.45
CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008022172	0	46	-1.0	-61.68	398.73	2.92	-58.76
CCCC(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300008022173	0	44	-1.0	-55.62	366.07	6.33	-49.29
CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300008022174	0	41	-1.0	-44.55	331.22	5.14	-39.41
CCCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008022175	0	36	-1.0	-61.21	325.27	3.95	-57.26
CCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008022176	0	38	-1.0	-48.38	336.11	4.93	-43.45
CCCC(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300008022177	0	45	-1.0	-55.80	383.80	4.23	-51.57
CCCCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1	REAL300008022178	0	47	-1.0	-52.89	392.57	6.37	-46.52
CCCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008022179	0	41	-1.0	-44.09	328.06	6.35	-37.74
CCCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008022180	0	35	-1.0	-51.61	333.15	5.25	-46.36
CCCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008022181	0	39	-1.0	-52.48	336.69	5.01	-47.47
CCCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008022182	0	36	-1.0	-59.26	325.27	3.94	-55.32
CCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300008022183	0	41	-1.0	-53.87	340.37	4.80	-49.07
CCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008022184	0	35	-1.0	-55.73	314.82	3.93	-51.80
CCCC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300008022185	0	35	-1.0	-52.49	317.21	4.78	-47.71
CCCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008022186	0	37	-1.0	-41.74	335.86	5.50	-36.24
CCCC(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300008022187	0	42	-1.0	-42.13	346.97	5.60	-36.53
CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008022188	0	37	-1.0	-47.67	319.80	3.46	-44.21
CCCC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008022189	0	36	-1.0	-54.45	311.26	4.17	-50.28
CCCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008022190	0	43	-1.0	-47.56	371.48	5.82	-41.74
CCCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300008022191	0	37	-1.0	-55.11	331.41	5.27	-49.84
CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008022192	0	37	-1.0	-47.00	350.63	4.59	-42.41
CCCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008022193	0	40	-1.0	-56.40	341.59	5.38	-51.02
CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300008022194	0	39	-1.0	-50.67	343.09	3.49	-47.18
CCCC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300008022195	0	38	-1.0	-44.65	332.86	3.56	-41.09
CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008022196	0	42	-1.0	-47.51	337.80	5.53	-41.98
CCCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008022197	0	34	-1.0	-56.04	314.20	4.92	-51.12
CCCC(NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300008022198	0	39	-1.0	-41.58	337.76	3.91	-37.67
CCCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008022199	0	39	-1.0	-56.60	336.07	4.41	-52.19
CCCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008022200	0	34	-1.0	-46.45	327.04	5.42	-41.03
CCCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008022201	0	39	-1.0	-53.31	334.03	4.38	-48.93
CCCC(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300008022202	0	43	-1.0	-41.29	328.15	6.79	-34.50
CCCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300008022203	0	43	-1.0	-59.85	362.01	2.70	-57.15
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008022204	0	42	-1.0	-53.08	382.42	7.12	-45.96
CCCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008022205	0	37	-1.0	-49.08	330.56	4.90	-44.18
CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008022206	0	37	-1.0	-46.94	360.95	5.03	-41.91
CCCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300008022207	0	40	-1.0	-55.67	353.39	2.83	-52.84
CCCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008022208	0	34	-1.0	-46.27	312.25	2.64	-43.63
CCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008022208	1	33	-2.0	-128.29	309.04	2.98	-125.31
CCCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008022209	0	34	-1.0	-43.83	301.59	2.46	-41.37
CCCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008022210	0	39	-1.0	-53.69	330.73	4.40	-49.29
CCCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300008022211	0	41	-1.0	-47.12	357.51	5.60	-41.52
CCCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008022212	0	39	-1.0	-53.97	350.80	4.88	-49.09
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300008022213	0	36	-1.0	-49.41	321.19	4.95	-44.46
CCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300008022214	0	42	-1.0	-58.69	365.57	4.54	-54.15
CCCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008022215	0	33	-1.0	-46.21	307.54	3.30	-42.91
CCCC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008022216	0	39	-1.0	-55.42	327.87	4.18	-51.24
CCCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300008022217	0	40	-1.0	-54.97	344.25	6.69	-48.28
CCCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008022218	0	39	-1.0	-46.78	330.31	4.26	-42.52
CCCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008022219	0	36	-1.0	-57.95	323.98	3.81	-54.14
CCCC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008022220	0	37	-1.0	-54.90	338.61	5.79	-49.11
CCCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008022221	0	43	-1.0	-54.43	351.20	4.32	-50.11
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008022222	0	33	-1.0	-42.37	312.53	3.08	-39.29
CCCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300008022223	0	39	-1.0	-62.52	329.00	4.35	-58.17
CCCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008022224	0	39	-1.0	-49.59	333.53	5.77	-43.82
CCCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022225	0	39	-1.0	-51.68	329.12	6.99	-44.69
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300008022226	0	39	-1.0	-41.27	329.81	5.59	-35.68
CCCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008022227	0	41	-1.0	-56.59	351.63	4.55	-52.04
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008022228	0	40	-1.0	-54.50	350.77	5.46	-49.04
CCCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300008022229	0	39	-1.0	-46.97	334.52	2.41	-44.56
CCCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300008022230	0	37	-1.0	-42.44	315.07	3.31	-39.13
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300008022231	0	35	-1.0	-50.02	322.26	3.64	-46.38
CCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008022232	0	39	-1.0	-61.75	325.66	5.35	-56.40
CCCC(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300008022233	0	43	-1.0	-54.48	353.80	6.35	-48.13
CCCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008022234	0	39	-1.0	-39.20	330.02	6.03	-33.17
CCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300008022235	0	41	-1.0	-48.10	336.48	5.40	-42.70
CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008022236	0	32	-1.0	-50.72	298.54	1.75	-48.97
CCCC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008022237	0	38	-1.0	-45.99	323.94	3.68	-42.31
CCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008022238	0	37	-1.0	-60.40	322.08	5.31	-55.09
CCCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008022239	0	34	-1.0	-55.23	304.31	2.46	-52.77
CCCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300008022240	0	37	-1.0	-42.29	324.83	5.17	-37.12
CCCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008022241	0	38	-1.0	-48.93	331.54	3.56	-45.37
CCCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008022242	0	33	-1.0	-47.38	293.38	3.65	-43.73
CCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008022243	0	34	-1.0	-55.61	317.11	5.00	-50.61
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300008022244	0	34	-1.0	-50.52	312.22	4.88	-45.64
CCCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008022245	0	37	-1.0	-53.05	325.92	4.83	-48.22
CCCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300008022246	0	40	-1.0	-54.53	363.22	5.23	-49.30
CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008022247	0	39	-1.0	-58.72	329.09	5.06	-53.66
CCCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008022248	0	38	-1.0	-48.62	342.91	1.69	-46.93
CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008022249	0	40	-1.0	-49.92	337.12	4.18	-45.74
CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008022250	0	34	-1.0	-41.81	316.67	4.99	-36.82
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1	REAL300008022251	0	56	-1.0	-53.06	457.31	8.70	-44.36
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(CCC)C(=O)[O-]	REAL300008022252	0	41	-1.0	-40.98	352.60	5.90	-35.08
CCCC(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300008022253	0	44	-1.0	-45.95	367.83	5.50	-40.45
CCCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300008022254	0	44	-1.0	-41.21	350.14	4.09	-37.12
CCCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300008022255	0	47	-1.0	-55.87	368.56	4.78	-51.09
CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008022256	0	45	-1.0	-51.79	394.21	7.14	-44.65
CCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1C(C)C	REAL300008022257	0	50	-1.0	-53.80	408.45	6.82	-46.98
CCCC(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300008022258	0	44	-1.0	-54.61	362.89	6.37	-48.24
CCCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008022259	0	34	-1.0	-51.40	317.40	3.33	-48.07
CCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008022260	0	39	-1.0	-50.33	337.20	6.16	-44.17
CCCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008022261	0	38	-1.0	-50.62	321.01	3.55	-47.07
CCCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008022262	0	44	-1.0	-53.73	374.73	5.89	-47.84
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008022263	0	34	-1.0	-47.12	318.07	2.48	-44.64
CCCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008022264	0	42	-1.0	-56.97	377.59	7.86	-49.11
CCCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008022265	0	41	-1.0	-50.69	343.96	7.25	-43.44
CCCC(NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300008022266	0	51	-1.0	-47.10	433.14	8.74	-38.36
CCCC(NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300008022267	0	44	-1.0	-55.67	360.31	5.37	-50.30
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008022268	0	37	-1.0	-49.79	347.98	5.66	-44.13
CCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022269	0	32	-2.0	-140.94	303.40	2.43	-138.51
CCCC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022269	1	33	-1.0	-60.98	305.08	2.81	-58.17
CCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300008022270	0	40	-1.0	-47.35	325.71	6.87	-40.48
CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300008022271	0	40	-1.0	-42.73	344.71	2.37	-40.36
CCCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300008022272	0	35	-1.0	-51.92	310.65	3.93	-47.99
CCCC(NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008022273	0	47	-1.0	-54.05	386.70	6.03	-48.02
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008022274	0	43	-1.0	-54.17	355.20	6.01	-48.16
CCCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008022275	0	50	-1.0	-56.54	402.24	8.29	-48.25
CCCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008022276	0	41	-1.0	-50.17	333.07	3.84	-46.33
CCCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008022277	0	43	-1.0	-57.13	342.06	3.89	-53.24
CCCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008022278	0	41	-1.0	-46.69	342.94	4.16	-42.53
CCCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008022279	0	34	-1.0	-41.45	307.43	2.65	-38.80
CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008022280	0	38	-1.0	-46.34	334.71	3.95	-42.39
C=CCCC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1	REAL300008022281	0	41	-1.0	-53.70	354.23	6.54	-47.16
CCCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1C(C)C	REAL300008022282	0	53	-1.0	-52.18	429.95	7.60	-44.58
CCCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008022283	0	35	-1.0	-42.11	324.17	5.53	-36.58
CCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1C(C)(C)C	REAL300008022284	0	53	-1.0	-54.16	421.01	7.48	-46.68
CCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1CC	REAL300008022285	0	47	-1.0	-53.26	391.28	6.30	-46.96
CCCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300008022286	0	37	-1.0	-39.83	317.73	5.77	-34.06
CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008022287	0	37	-1.0	-55.54	337.71	5.67	-49.87
CCCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008022288	0	35	-1.0	-54.07	324.13	5.44	-48.63
CCCC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008022289	0	47	-1.0	-52.06	391.24	6.56	-45.50
CCCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008022290	0	36	-1.0	-50.79	314.25	4.38	-46.41
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300008022291	0	46	-1.0	-51.95	405.64	7.65	-44.30
CCCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008022292	0	38	-1.0	-54.56	327.52	3.48	-51.08
CCCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008022293	0	38	-1.0	-44.22	319.87	3.55	-40.67
CCCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008022294	0	41	-1.0	-42.04	331.52	4.15	-37.89
CCCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008022295	0	42	-1.0	-45.67	338.22	1.73	-43.94
CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008022296	0	37	-1.0	-45.84	342.39	4.74	-41.10
CCCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300008022297	0	38	-1.0	-47.38	317.09	3.79	-43.59
CCCCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1C(C)C	REAL300008022298	0	56	-1.0	-53.80	451.45	8.38	-45.42
CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300008022299	0	47	-1.0	-57.34	369.25	5.24	-52.10
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300008022300	0	41	-1.0	-42.42	338.73	5.36	-37.06
CCCC(NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008022301	0	54	-1.0	-56.23	442.43	6.24	-49.99
CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300008022302	0	39	-1.0	-48.75	333.42	4.39	-44.36
CCCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008022303	0	39	-1.0	-44.23	346.47	3.51	-40.72
CCCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008022304	0	37	-1.0	-46.61	328.31	4.44	-42.17
CCCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300008022305	0	36	-1.0	-64.27	318.17	3.39	-60.88
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008022306	0	34	-1.0	-46.38	314.39	5.26	-41.12
CCCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008022307	0	38	-1.0	-46.43	328.28	3.60	-42.83
CCCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300008022308	0	40	-1.0	-42.43	327.15	6.04	-36.39
CCCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300008022309	0	39	-1.0	-54.83	333.64	3.70	-51.13
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008022310	0	44	-1.0	-53.48	360.24	4.57	-48.91
CCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300008022311	0	43	-1.0	-51.56	352.60	4.24	-47.32
CCCCN1C=C(S(=O)(=O)NC(CCC)C(=O)[O-])C(C)=N1	REAL300008022312	0	43	-1.0	-52.67	364.63	4.43	-48.24
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008022313	0	38	-1.0	-47.57	333.89	3.71	-43.86
CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008022314	0	35	-1.0	-55.43	316.00	3.36	-52.07
CCCC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008022315	0	36	-1.0	-55.41	322.32	2.25	-53.16
CCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300008022316	0	37	-1.0	-40.65	325.83	5.76	-34.89
CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008022317	0	37	-1.0	-49.87	346.00	4.92	-44.95
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008022318	0	41	-1.0	-53.81	347.28	4.05	-49.76
CCCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300008022319	0	49	-1.0	-43.30	384.75	7.80	-35.50
CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008022320	0	37	-1.0	-40.95	349.00	5.71	-35.24
CCCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008022321	0	41	-1.0	-46.96	351.79	4.49	-42.47
CCCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008022322	0	35	-1.0	-45.44	307.65	4.80	-40.64
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008022323	0	42	-1.0	-41.17	355.45	6.80	-34.37
CCCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008022324	0	40	-1.0	-71.79	340.44	5.18	-66.61
CCCC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008022325	0	38	-1.0	-51.26	320.69	3.28	-47.98
CCCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008022326	0	40	-1.0	-43.49	321.28	3.49	-40.00
CCCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008022327	0	40	-1.0	-46.33	342.32	3.55	-42.78
CCCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008022328	0	38	-1.0	-44.87	325.72	2.85	-42.02
CCCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008022329	0	36	-1.0	-41.04	328.72	3.65	-37.39
CCCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008022330	0	34	-1.0	-38.17	320.68	4.87	-33.30
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CCC)C(=O)[O-])=C1	REAL300008022331	0	42	-1.0	-48.29	362.03	5.91	-42.38
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008022332	0	42	-1.0	-55.64	346.10	6.88	-48.76
CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008022333	0	37	-1.0	-51.82	340.22	4.82	-47.00
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300008022334	0	41	-1.0	-51.23	373.22	4.54	-46.69
CCCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008022335	0	31	-1.0	-41.48	291.87	4.07	-37.41
CCCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008022336	0	41	-1.0	-43.75	340.36	4.40	-39.35
CCCC(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300008022337	0	40	-1.0	-52.62	332.88	3.38	-49.24
CCCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300008022338	0	45	-1.0	-43.07	347.74	4.86	-38.21
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008022339	0	45	-1.0	-45.86	370.82	2.86	-43.00
CCCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008022340	0	37	-1.0	-44.95	331.01	5.37	-39.58
CCCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008022341	0	35	-1.0	-45.79	317.05	3.41	-42.38
CCCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008022342	0	46	-1.0	-41.23	372.56	6.56	-34.67
CCCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008022343	0	42	-1.0	-52.96	346.41	6.15	-46.81
CCCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300008022344	0	39	-1.0	-38.87	333.40	3.97	-34.90
CCCC(NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300008022345	0	41	-1.0	-44.64	354.72	4.52	-40.12
CCCC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300008022346	0	34	-1.0	-46.02	337.08	5.86	-40.16
CCCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008022347	0	41	-1.0	-48.47	356.46	5.08	-43.39
CCCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008022348	0	44	-1.0	-47.70	364.19	4.79	-42.91
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008022349	0	42	-1.0	-52.42	365.66	6.62	-45.80
CCCC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300008022350	0	37	-1.0	-42.66	335.49	5.58	-37.08
CCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300008022351	0	40	-1.0	-57.57	333.63	6.58	-50.99
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008022352	0	41	-1.0	-49.49	345.31	5.05	-44.44
CCCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300008022353	0	35	-1.0	-53.61	316.54	5.07	-48.54
CCCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008022354	0	35	-1.0	-42.00	328.74	5.62	-36.38
CCCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008022355	0	35	-1.0	-53.00	331.42	5.62	-47.38
CCCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008022356	0	36	-1.0	-42.57	319.56	-2.26	-44.83
CCCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008022357	0	33	-1.0	-53.01	307.65	3.18	-49.83
CCCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008022358	0	40	-1.0	-59.62	349.52	3.38	-56.24
CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008022358	1	39	-2.0	-142.64	350.80	2.50	-140.14
CCCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008022359	0	48	-1.0	-57.29	353.62	6.65	-50.64
CCCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300008022360	0	39	-1.0	-45.51	312.21	4.23	-41.28
CCCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008022361	0	39	-1.0	-54.62	346.94	0.62	-54.00
CCCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008022362	0	44	-1.0	-57.67	351.14	4.11	-53.56
CCCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008022363	0	35	-1.0	-63.70	324.60	2.81	-60.89
CCCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008022364	0	41	-1.0	-57.35	358.56	6.63	-50.72
CCCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008022365	0	40	-1.0	-60.19	329.08	1.21	-58.98
CCCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008022366	0	44	-1.0	-40.93	340.39	5.75	-35.18
CCCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008022367	0	35	-1.0	-43.92	319.36	5.13	-38.79
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300008022368	0	53	-1.0	-55.29	406.60	7.93	-47.36
CCCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008022369	0	42	-1.0	-54.55	350.44	4.80	-49.75
CCCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300008022370	0	36	-1.0	-57.08	317.94	1.18	-55.90
CCCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300008022371	0	43	-1.0	-53.70	335.87	4.20	-49.50
CCCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300008022372	0	42	-1.0	-40.05	346.08	5.46	-34.59
CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300008022373	0	35	-1.0	-53.51	326.06	4.63	-48.88
CCCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008022374	0	35	-1.0	-45.01	315.35	3.40	-41.61
CCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008022374	1	34	-2.0	-137.87	308.24	3.69	-134.18
CCCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008022375	0	35	-1.0	-56.42	322.21	3.43	-52.99
CCCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008022376	0	37	-1.0	-52.34	320.86	3.72	-48.62
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008022377	0	38	-1.0	-51.03	331.51	5.61	-45.42
CCCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300008022378	0	40	-1.0	-42.82	356.67	4.33	-38.49
CCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008022379	0	44	-1.0	-55.06	365.74	6.10	-48.96
CCCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008022380	0	42	-1.0	-57.48	367.15	6.70	-50.78
CCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008022381	0	37	-1.0	-65.88	306.67	4.94	-60.94
CCCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008022382	0	32	-1.0	-45.36	319.29	2.63	-42.73
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CCC)C(=O)[O-])=C1	REAL300008022383	0	42	-1.0	-45.80	361.13	5.45	-40.35
CCCC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300008022384	0	41	-1.0	-48.17	355.27	4.56	-43.61
CCCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300008022385	0	35	-1.0	-64.14	316.22	3.20	-60.94
CCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008022386	0	37	-1.0	-52.77	339.36	6.56	-46.21
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008022387	0	41	-1.0	-44.74	368.72	7.78	-36.96
CCCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008022388	0	30	-1.0	-47.32	295.65	2.62	-44.70
CCCC(NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300008022389	0	37	-1.0	-50.85	336.02	5.64	-45.21
CCCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300008022390	0	44	-1.0	-49.76	364.25	5.02	-44.74
CCCC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300008022391	0	45	-1.0	-43.53	364.57	4.42	-39.11
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008022392	0	37	-1.0	-54.76	334.11	6.55	-48.21
CCCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008022393	0	39	-1.0	-48.08	325.63	1.53	-46.55
CCCC(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300008022394	0	37	-1.0	-44.93	340.38	3.63	-41.30
CCCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300008022395	0	46	-1.0	-53.15	378.89	4.15	-49.00
CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300008022396	0	34	-1.0	-42.64	317.82	1.48	-41.16
CCCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300008022397	0	37	-1.0	-42.73	322.85	1.23	-41.50
CCCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300008022398	0	40	-1.0	-45.10	338.50	3.96	-41.14
CCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300008022399	0	40	-1.0	-52.77	337.49	3.42	-49.35
CCCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300008022400	0	41	-1.0	-38.62	327.67	1.32	-37.30
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008022401	0	36	-1.0	-55.14	324.76	5.77	-49.37
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300008022402	0	42	-1.0	-48.57	350.20	4.24	-44.33
CCCC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300008022403	0	38	-1.0	-49.53	326.57	3.99	-45.54
CCCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008022404	0	38	-1.0	-46.26	326.64	4.88	-41.38
CCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300008022405	0	33	-1.0	-47.14	303.73	2.70	-44.44
CCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300008022406	0	40	-1.0	-57.44	337.46	3.51	-53.93
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300008022407	0	45	-1.0	-52.24	385.58	7.35	-44.89
CCCC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008022408	0	36	-1.0	-61.61	309.94	4.65	-56.96
CCCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300008022409	0	34	-1.0	-51.10	299.84	3.15	-47.95
CCCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300008022410	0	39	-1.0	-48.48	332.15	-0.45	-48.93
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300008022411	0	38	-1.0	-45.24	322.36	4.43	-40.81
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300008022412	0	37	-1.0	-52.05	342.06	2.02	-50.03
CCCC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300008022413	0	36	-1.0	-53.64	311.87	4.14	-49.50
CCCC(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300008022414	0	37	-1.0	-61.42	319.85	3.09	-58.33
CCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008022415	0	39	-1.0	-62.10	334.26	5.11	-56.99
CCCC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300008022416	0	33	-1.0	-61.12	306.94	2.81	-58.31
CCCC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300008022417	0	38	-1.0	-45.52	335.41	4.29	-41.23
CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300008022418	0	44	-1.0	-46.27	355.11	5.98	-40.29
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022419	0	43	-1.0	-54.15	351.52	6.13	-48.02
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022420	0	38	-1.0	-45.77	315.75	4.03	-41.74
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022421	0	34	-1.0	-55.79	305.93	4.97	-50.82
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008022422	0	35	-1.0	-53.60	315.66	3.88	-49.72
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008022423	0	37	-1.0	-59.56	328.24	0.97	-58.59
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008022424	0	35	-1.0	-49.51	312.86	3.26	-46.25
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300008022425	0	42	-1.0	-57.26	343.62	3.55	-53.71
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022426	0	34	-1.0	-52.35	301.56	4.86	-47.49
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008022427	0	47	-1.0	-52.98	372.80	7.33	-45.65
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008022428	0	37	-1.0	-54.28	317.33	2.69	-51.59
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008022429	0	31	-1.0	-54.89	286.62	4.17	-50.72
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008022430	0	31	-1.0	-50.84	288.16	4.10	-46.74
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022431	0	36	-1.0	-58.57	300.76	5.73	-52.84
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008022432	0	37	-1.0	-54.71	328.72	5.49	-49.22
CC(C)[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008022433	0	41	-1.0	-66.15	350.45	-0.01	-66.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022434	0	42	-1.0	-52.12	349.30	5.30	-46.82
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008022435	0	37	-1.0	-53.81	314.48	4.01	-49.80
COCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022436	0	38	-1.0	-55.34	327.90	3.28	-52.06
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300008022437	0	37	-1.0	-51.98	321.92	1.13	-50.85
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008022438	0	40	-1.0	-67.51	357.87	1.73	-65.78
CC(C)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008022439	0	36	-1.0	-70.35	316.38	-0.53	-70.88
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1C	REAL300008022440	0	41	-1.0	-54.20	328.48	4.26	-49.94
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008022441	0	36	-1.0	-45.07	323.46	3.95	-41.12
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008022442	0	34	-1.0	-55.55	311.79	4.81	-50.74
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008022443	0	36	-1.0	-56.65	308.48	3.83	-52.82
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022444	0	48	-1.0	-59.30	408.95	2.70	-56.60
CC(C)[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300008022445	0	41	-1.0	-60.09	334.73	-1.13	-61.22
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300008022446	0	40	-1.0	-56.85	341.42	4.78	-52.07
CCN1N=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300008022447	0	40	-1.0	-51.01	323.78	3.32	-47.69
CC(C)CN1C=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022448	0	40	-1.0	-57.49	338.10	4.81	-52.68
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008022449	0	43	-1.0	-56.87	316.13	5.66	-51.21
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300008022450	0	44	-1.0	-58.15	373.34	6.39	-51.76
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008022451	0	39	-1.0	-53.57	337.40	2.92	-50.65
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300008022452	0	37	-1.0	-51.58	335.09	4.65	-46.93
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300008022453	0	39	-1.0	-42.97	340.35	3.29	-39.68
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(OC)C=C1Br	REAL300008022454	0	39	-1.0	-54.36	350.88	3.37	-50.99
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008022455	0	34	-1.0	-51.11	306.37	4.67	-46.44
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008022456	0	37	-1.0	-52.41	324.59	6.25	-46.16
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008022457	0	36	-1.0	-46.92	320.38	5.71	-41.21
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008022458	0	35	-1.0	-53.39	312.33	3.12	-50.27
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008022459	0	38	-1.0	-46.61	333.53	4.74	-41.87
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022460	0	46	-1.0	-55.03	363.68	4.82	-50.21
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008022461	0	34	-1.0	-52.66	301.02	4.40	-48.26
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022462	0	42	-1.0	-59.50	351.39	3.02	-56.48
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(C2CC2)=N1	REAL300008032001	0	40	-2.0	-135.60	361.64	5.38	-130.22
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1	REAL300008032002	0	37	-2.0	-135.28	345.58	5.04	-130.24
O=C([O-])C1=CC2=CC=CN=C2C(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1	REAL300008032002	1	38	-1.0	-62.66	345.54	5.01	-57.65
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC4=CC=CN=C43)C=CC=C21	REAL300008032003	0	38	-2.0	-154.10	350.88	3.87	-150.23
CC1(C)CCCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C1	REAL300008032004	0	45	-1.0	-57.48	359.96	5.78	-51.70
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(C2CCC2)=N1	REAL300008032005	0	43	-2.0	-136.20	377.86	5.87	-130.33
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300008032006	0	43	-2.0	-132.00	380.31	6.11	-125.89
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300008032007	0	37	-2.0	-140.99	343.08	6.66	-134.33
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032008	0	42	-2.0	-139.27	370.73	7.67	-131.60
CCCC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032008	1	43	-1.0	-58.53	370.69	7.64	-50.89
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032009	0	40	-2.0	-131.76	351.01	5.05	-126.71
O=C([O-])C1=CC2=CC=CN=C2C(NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)=C1	REAL300008032010	0	40	-1.0	-57.93	333.33	4.89	-53.04
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032011	0	39	-2.0	-135.93	336.11	7.14	-128.79
CC1=CC=CC(C)=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032011	1	40	-1.0	-58.96	337.70	7.18	-51.78
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032012	0	42	-2.0	-125.25	353.32	5.37	-119.88
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=N1	REAL300008032013	0	42	-2.0	-132.71	370.83	5.18	-127.53
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300008032014	0	40	-2.0	-132.62	354.89	4.55	-128.07
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032015	0	36	-2.0	-126.19	327.50	3.74	-122.45
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1C	REAL300008032016	0	39	-2.0	-139.07	338.42	6.79	-132.28
CC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1C	REAL300008032016	1	40	-1.0	-60.80	339.96	6.84	-53.96
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032017	0	44	-2.0	-147.66	390.92	7.49	-140.17
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032017	1	45	-1.0	-59.96	390.83	7.46	-52.50
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC3=CC=CC=C3CCC2)=C1	REAL300008032018	0	44	-2.0	-140.51	375.96	8.51	-132.00
O=C([O-])C1=CC2=CC=CN=C2C(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)=C1	REAL300008032018	1	45	-1.0	-61.98	377.69	8.53	-53.45
O=C([O-])C1=CC2=CC=CN=C2C(NS(=O)(=O)N2CC3=CC=CC=C3C2)=C1	REAL300008032019	0	40	-1.0	-58.86	348.51	5.87	-52.99
CN(C1CCC1)S(=O)(=O)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032020	0	39	-1.0	-55.93	321.41	4.37	-51.56
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)CC2=NOC3=C2COCC3)=C1	REAL300008032021	0	40	-2.0	-140.02	358.79	3.87	-136.15
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)N2CCC(F)(F)CC2)=C1	REAL300008032022	0	38	-1.0	-62.22	318.33	7.51	-54.71
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300008032023	0	40	-2.0	-139.03	355.56	7.57	-131.46
O=C([O-])C1=CC2=CC=CN=C2C(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300008032023	1	41	-1.0	-58.31	355.66	7.54	-50.77
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=CS1	REAL300008032024	0	34	-2.0	-141.09	328.60	3.89	-137.20
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300008032025	0	43	-2.0	-129.79	371.15	6.06	-123.73
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032026	0	42	-2.0	-128.82	366.30	5.36	-123.46
CN(C(C)(C)C)S(=O)(=O)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032027	0	41	-1.0	-51.89	329.83	4.83	-47.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)O1	REAL300008032028	0	36	-2.0	-135.19	332.42	5.07	-130.12
CN(C1CCCCCC1)S(=O)(=O)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032029	0	48	-1.0	-59.51	372.34	6.14	-53.37
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032030	0	39	-2.0	-135.73	359.55	6.99	-128.74
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032030	1	40	-1.0	-55.86	359.51	6.96	-48.90
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300008032031	0	37	-2.0	-135.42	345.60	5.04	-130.38
O=C([O-])C1=CC2=CC=CN=C2C(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300008032031	1	38	-1.0	-58.39	345.59	5.00	-53.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)S1	REAL300008032032	0	34	-2.0	-132.20	330.12	3.91	-128.29
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300008032033	0	36	-2.0	-128.49	339.01	4.16	-124.33
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032034	0	43	-2.0	-140.25	383.26	6.15	-134.10
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CC(C)(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21)C(C)(F)F	REAL300008032050	0	41	-2.0	-131.46	344.72	5.97	-125.49
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COCCC1(S(=O)(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)CC1	REAL300008032055	1	41	-1.0	-58.28	338.21	4.14	-54.14
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COC1=CC=C(C=C(C)S(=O)(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1	REAL300008032059	0	45	-1.0	-59.92	380.27	6.39	-53.53
COC1=CC=C(C=C(C)S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1	REAL300008032059	1	44	-2.0	-134.34	383.97	6.56	-127.78
CO[C@@H]1COC[C@@H]1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032060	0	38	-2.0	-137.00	334.17	2.40	-134.60
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032061	0	33	-2.0	-134.15	310.92	4.14	-130.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)O1	REAL300008032062	0	33	-2.0	-135.07	310.94	4.28	-130.79
CCC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032063	0	36	-2.0	-128.73	326.23	3.31	-125.42
COC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1OC	REAL300008032064	0	38	-2.0	-138.66	359.29	3.47	-135.19
O=C([O-])C1=CC2=CC=CN=C2C(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)=C1	REAL300008032065	0	46	-1.0	-58.57	365.35	5.84	-52.73
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032066	0	45	-1.0	-56.40	385.76	7.30	-49.10
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(F)=C1	REAL300008032067	0	37	-2.0	-140.08	344.33	5.05	-135.03
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CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC4=CC=CN=C43)=CC=C21	REAL300008032069	0	40	-2.0	-144.04	360.05	7.22	-136.82
CN1C=CC2=CC(S(=O)(=O)NC3=CC(C(=O)[O-])=CC4=CC=CN=C43)=CC=C21	REAL300008032069	1	41	-1.0	-62.49	359.93	7.18	-55.31
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032070	0	39	-2.0	-150.26	344.17	7.29	-142.97
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032071	0	44	-2.0	-140.24	390.01	7.09	-133.15
C=C(C)COC1=CC=CC(S(=O)(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032071	1	45	-1.0	-57.69	389.95	7.06	-50.63
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(C2CC2)=N1	REAL300008032072	0	43	-2.0	-135.82	383.15	6.26	-129.56
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300008032073	0	30	-2.0	-130.84	305.08	3.96	-126.88
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CC1(C)CCN(S(=O)(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)CC1	REAL300008032077	0	45	-1.0	-56.72	357.51	5.44	-51.28
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032078	0	36	-2.0	-133.35	349.05	3.14	-130.21
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1C	REAL300008032079	0	39	-2.0	-128.91	353.65	2.88	-126.03
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CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032081	0	42	-2.0	-132.80	371.76	5.14	-127.66
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CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)N=C1	REAL300008032083	0	44	-2.0	-140.19	378.73	5.87	-134.32
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032084	0	39	-2.0	-127.86	348.06	4.74	-123.12
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CC1=CN=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(C)=C1	REAL300008032091	0	38	-2.0	-142.81	339.34	5.04	-137.77
CC1=CN=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032092	0	35	-2.0	-129.43	317.35	4.44	-124.99
CC1=CN=CC=C1S(=O)(=O)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032092	1	36	-1.0	-58.12	318.36	4.49	-53.63
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032093	0	42	-1.0	-62.35	361.35	1.13	-61.22
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CC1=CC=CN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032099	0	35	-2.0	-143.30	318.64	4.30	-139.00
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CCOC1=CC=CN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032101	0	39	-2.0	-152.81	352.20	4.57	-148.24
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CCC(C)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032113	0	47	-1.0	-49.99	386.19	8.16	-41.83
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])S1	REAL300008032114	0	35	-1.0	-60.54	321.03	5.38	-55.16
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(Cl)S1	REAL300008032115	0	32	-1.0	-47.14	316.55	5.20	-41.94
COC1=CC=C(C)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032116	0	42	-1.0	-51.58	349.50	6.09	-45.49
CC1=CC=C(Br)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032117	0	38	-1.0	-47.08	343.38	7.07	-40.01
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008032118	0	39	-1.0	-51.06	344.60	5.91	-45.15
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CCOCC1	REAL300008032119	0	38	-1.0	-57.99	315.53	2.29	-55.70
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032120	0	41	-1.0	-60.38	368.22	3.10	-57.28
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008032121	0	39	-1.0	-55.21	353.23	5.37	-49.84
COC1=CC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300008032122	0	46	-1.0	-51.16	380.75	5.66	-45.50
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032123	0	38	-1.0	-46.96	338.79	6.97	-39.99
CN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032124	0	35	-1.0	-58.00	311.77	3.28	-54.72
CCN(CC)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032125	0	39	-1.0	-47.04	320.36	4.34	-42.70
CN(C1CCCCC1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032126	0	46	-1.0	-47.92	359.93	5.94	-41.98
CC1=NN(C)C(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032127	0	41	-1.0	-56.58	344.84	4.65	-51.93
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008032128	0	51	-1.0	-49.78	409.38	9.38	-40.40
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008032129	0	41	-1.0	-52.88	352.06	4.74	-48.14
CCC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032130	0	41	-1.0	-49.73	350.41	7.01	-42.72
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1Br	REAL300008032131	0	35	-1.0	-50.06	323.99	6.32	-43.74
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008032132	0	35	-1.0	-48.53	328.86	6.21	-42.32
CC1=NNC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032133	0	35	-1.0	-57.68	309.34	2.55	-55.13
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032134	0	40	-1.0	-54.35	340.52	7.67	-46.68
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008032135	0	41	-1.0	-48.81	369.60	7.60	-41.21
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032136	0	45	-1.0	-53.34	390.89	2.14	-51.20
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032137	0	46	-1.0	-51.47	389.97	7.40	-44.07
CC1=CC(F)=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032138	0	38	-1.0	-59.73	335.06	6.31	-53.42
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008032139	0	41	-1.0	-51.85	353.20	6.09	-45.76
COCC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032140	0	42	-1.0	-50.15	362.59	5.30	-44.85
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032141	0	41	-1.0	-50.61	356.55	3.19	-47.42
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032142	0	44	-1.0	-60.18	392.55	3.78	-56.40
CS(=O)(=O)CCCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032143	0	40	-1.0	-56.43	356.60	1.62	-54.81
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1C	REAL300008032144	0	45	-1.0	-50.66	368.11	6.41	-44.25
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008032145	0	38	-1.0	-47.19	352.66	6.92	-40.27
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008032146	0	40	-1.0	-54.12	348.53	5.97	-48.15
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=NOC=C1	REAL300008032147	0	34	-1.0	-52.63	306.27	3.57	-49.06
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=NN1C	REAL300008032148	0	38	-1.0	-63.87	329.05	3.78	-60.09
CS(=O)(=O)N1CCN(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])CC1	REAL300008032149	0	45	-1.0	-64.03	377.93	1.15	-62.88
CN(C1CCOCC1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032150	0	44	-1.0	-47.25	354.65	3.66	-43.59
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CC2CCC1C2	REAL300008032151	0	41	-1.0	-49.88	335.08	5.14	-44.74
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008032152	0	44	-1.0	-57.16	380.89	6.92	-50.24
CCN1N=C(C)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1C	REAL300008032153	0	44	-1.0	-56.38	366.65	5.52	-50.86
CC(C)N1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032154	0	41	-1.0	-60.86	351.98	4.67	-56.19
CC(C)CN1C=NC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032155	0	44	-1.0	-68.43	371.77	6.54	-61.89
CC(C)N1C=NC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032156	0	41	-1.0	-68.23	352.67	5.96	-62.27
CC(C)C1=NC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CN1	REAL300008032157	0	41	-1.0	-68.77	351.03	4.02	-64.75
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032158	0	47	-1.0	-61.68	360.13	8.14	-53.54
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032159	0	43	-1.0	-56.66	373.25	4.97	-51.69
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CCCOC1	REAL300008032160	0	42	-1.0	-47.59	341.30	4.32	-43.27
COC1=CC(Cl)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300008032161	0	43	-1.0	-59.27	367.57	4.83	-54.44
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300008032162	0	38	-1.0	-49.21	347.06	6.78	-42.43
CC1=C(F)C=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032163	0	38	-1.0	-50.01	327.49	6.49	-43.52
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008032164	0	41	-1.0	-50.53	362.95	8.35	-42.18
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008032165	0	39	-1.0	-51.53	353.04	5.23	-46.30
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032166	0	50	-1.0	-56.20	398.75	6.56	-49.64
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008032167	0	38	-1.0	-50.69	341.69	6.51	-44.18
COCC1=CC=C(OC)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032168	0	46	-1.0	-53.66	383.17	5.14	-48.52
COCCC(C)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032169	0	41	-1.0	-59.95	340.74	3.88	-56.07
COC1=CC=C(F)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032170	0	39	-1.0	-49.04	334.49	5.49	-43.55
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032171	0	46	-1.0	-51.27	397.68	5.66	-45.61
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008032172	0	53	-1.0	-47.60	394.69	7.26	-40.34
CC1=NC2=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=CC=C2C=C1	REAL300008032173	0	43	-1.0	-57.67	360.79	7.27	-50.40
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008032174	0	43	-1.0	-57.19	372.02	7.48	-49.71
CCN(CC1CC1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032175	0	43	-1.0	-47.57	349.71	5.66	-41.91
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008032176	0	46	-1.0	-58.42	384.40	4.12	-54.30
CCCN1C=NC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032177	0	41	-1.0	-55.24	354.89	6.33	-48.91
COCCOCCOCCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032178	0	49	-1.0	-53.47	416.10	2.90	-50.57
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCOCC1CC1	REAL300008032179	0	42	-1.0	-49.40	358.57	4.89	-44.51
CC(COC1CCCC1)CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032180	0	51	-1.0	-46.93	408.34	6.94	-39.99
COCC(C)CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032181	0	41	-1.0	-47.12	341.63	3.90	-43.22
CCOCC(C)CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032182	0	44	-1.0	-47.10	363.49	4.87	-42.23
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008032183	0	43	-1.0	-51.39	365.56	3.33	-48.06
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008032184	0	39	-1.0	-49.69	344.25	5.76	-43.93
COC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008032185	0	41	-1.0	-51.01	363.09	6.33	-44.68
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032186	0	41	-1.0	-46.97	361.12	7.48	-39.49
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032187	0	41	-1.0	-62.10	360.92	7.48	-54.62
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300008032188	0	41	-1.0	-48.03	361.99	7.10	-40.93
CC(C)C1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032189	0	44	-1.0	-48.48	359.75	7.63	-40.85
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCCN1CCOCC1	REAL300008032190	0	47	-1.0	-48.37	381.30	2.56	-45.81
CCOC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032191	0	42	-1.0	-51.73	358.92	5.81	-45.92
COCCN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032192	0	42	-1.0	-57.28	366.98	3.19	-54.09
CC(C)(C)CCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032193	0	43	-1.0	-47.39	348.19	5.77	-41.62
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008032194	0	42	-1.0	-54.01	371.88	6.12	-47.89
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008032195	0	43	-1.0	-51.29	381.00	7.76	-43.53
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008032196	0	40	-1.0	-61.61	348.42	5.95	-55.66
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008032197	0	38	-1.0	-48.48	352.66	6.91	-41.57
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300008032198	0	38	-1.0	-50.39	348.09	6.86	-43.53
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008032199	0	42	-1.0	-62.69	372.18	3.44	-59.25
CC1CCN(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C1	REAL300008032200	0	40	-1.0	-59.18	331.83	4.51	-54.67
CC1=CC(Br)=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032201	0	38	-1.0	-58.88	349.94	6.85	-52.03
CC1=C(Br)C=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032202	0	38	-1.0	-48.82	340.34	6.99	-41.83
COCC1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032203	0	42	-1.0	-58.95	353.65	5.70	-53.25
COC1=CC(OC)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300008032204	0	43	-1.0	-49.91	373.57	5.29	-44.62
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008032205	0	38	-1.0	-58.23	351.18	4.64	-53.59
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008032206	0	38	-1.0	-63.23	345.15	4.48	-58.75
CC1(C)CC2=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=CC=C2O1	REAL300008032207	0	46	-1.0	-58.86	384.67	6.83	-52.03
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008032208	0	38	-1.0	-65.90	341.11	4.57	-61.33
CSC1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032209	0	39	-1.0	-50.62	331.86	5.80	-44.82
CCC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032210	0	41	-1.0	-49.87	350.46	7.02	-42.85
CCC1=CC=C(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032211	0	44	-1.0	-49.27	374.26	7.74	-41.53
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1=CC=CS1	REAL300008032212	0	38	-1.0	-48.70	343.10	6.18	-42.52
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032213	0	44	-1.0	-60.28	389.73	4.00	-56.28
CC1=CC=C(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300008032214	0	44	-1.0	-50.09	369.79	7.50	-42.59
CC(C)CN(C)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032215	0	42	-1.0	-59.29	340.41	5.25	-54.04
CN(C1CCCC1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032216	0	43	-1.0	-47.39	346.21	5.35	-42.04
CCCN(C)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032217	0	39	-1.0	-47.23	327.23	4.45	-42.78
CC1(C)CN(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])CCO1	REAL300008032218	0	44	-1.0	-57.73	353.42	3.78	-53.95
CC1=NOC(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032219	0	37	-1.0	-49.61	328.21	4.45	-45.16
CC(C)N1N=CC2=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300008032220	0	47	-1.0	-52.91	398.28	7.11	-45.80
CCS(=O)(=O)NCCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032221	0	42	-1.0	-55.22	371.47	0.33	-54.89
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008032222	0	41	-1.0	-52.01	361.32	6.86	-45.15
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008032223	0	38	-1.0	-49.42	363.17	7.50	-41.92
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008032224	0	38	-1.0	-50.10	350.36	6.99	-43.11
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008032225	0	41	-1.0	-53.91	365.26	8.44	-45.47
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1CCCO1	REAL300008032226	0	42	-1.0	-50.86	349.29	4.39	-46.47
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008032227	0	41	-1.0	-49.30	368.51	7.36	-41.94
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008032228	0	46	-1.0	-50.91	388.76	6.93	-43.98
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008032229	0	44	-1.0	-52.31	378.58	8.58	-43.73
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1N(C)C	REAL300008032230	0	46	-1.0	-50.03	382.18	6.24	-43.79
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008032231	0	40	-1.0	-63.86	340.08	2.52	-61.34
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCOCC1CCCC1	REAL300008032232	0	48	-1.0	-49.30	392.35	6.04	-43.26
COC1=CC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300008032233	0	42	-1.0	-61.90	368.21	6.24	-55.66
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032234	0	44	-1.0	-57.40	392.07	3.81	-53.59
CSC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300008032235	0	39	-1.0	-49.92	362.77	7.06	-42.86
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032236	0	47	-1.0	-56.78	381.06	6.06	-50.72
COC(C)CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032237	0	38	-1.0	-48.78	324.25	3.30	-45.48
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008032238	0	43	-1.0	-58.42	378.38	4.14	-54.28
CCC1=NOC2=NC=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=C12	REAL300008032239	0	42	-1.0	-58.57	368.47	3.29	-55.28
CN1N=CC2=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=CN=C21	REAL300008032240	0	40	-1.0	-53.39	351.88	4.70	-48.69
CCC1=CC(CC)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(CC)=C1	REAL300008032241	0	53	-1.0	-49.14	407.13	10.19	-38.95
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008032242	0	42	-1.0	-57.97	353.30	5.60	-52.37
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008032243	0	44	-1.0	-51.26	373.78	9.34	-41.92
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1F	REAL300008032244	0	42	-1.0	-52.36	356.77	5.81	-46.55
CC1(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])CCCCC1	REAL300008032245	0	47	-1.0	-47.19	357.36	7.10	-40.09
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008032246	0	44	-1.0	-50.98	369.57	7.00	-43.98
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032247	0	53	0.0	-80.28	424.61	6.81	-73.47
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008032248	0	43	-1.0	-53.79	377.05	6.85	-46.94
CN1N=NC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032249	0	34	-1.0	-51.39	300.64	2.03	-49.36
COCC1=CC(Cl)=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032250	0	42	-1.0	-48.93	379.37	5.82	-43.11
CC1=CC=C(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300008032251	0	41	-1.0	-51.58	358.01	7.01	-44.57
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032252	0	47	0.0	-67.59	385.89	7.48	-60.11
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008032253	0	35	-1.0	-57.11	339.79	5.77	-51.34
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008032254	0	48	-1.0	-49.27	396.27	8.88	-40.39
CC(C)(C)C1=CC(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=NO1	REAL300008032255	0	46	-1.0	-51.15	389.40	6.30	-44.85
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1CCC1	REAL300008032256	0	41	-1.0	-47.48	341.19	6.15	-41.33
CC(C)(C)CCCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032257	0	46	-1.0	-47.12	369.69	6.53	-40.59
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008032258	0	44	-1.0	-54.80	368.67	2.76	-52.04
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008032259	0	38	-1.0	-51.52	343.75	6.04	-45.48
O=C([O-])C1=CC=CC=C1CC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008032259	1	37	-2.0	-127.46	341.51	5.67	-121.79
CC1=C(CCS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])SC=N1	REAL300008032260	0	40	-1.0	-49.95	356.85	4.83	-45.12
COCC1(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])CC1	REAL300008032261	0	39	-1.0	-48.76	333.36	4.59	-44.17
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC12CCC(CC1)C2	REAL300008032262	0	45	-1.0	-62.75	356.04	6.98	-55.77
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CC(F)(F)C1	REAL300008032263	0	38	-1.0	-46.89	332.81	5.54	-41.35
COC1=CC=C2C=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])CCC2=C1	REAL300008032264	0	47	-1.0	-51.63	391.45	7.27	-44.36
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC12CCC(CC1)CC2	REAL300008032265	0	48	-1.0	-47.44	364.95	7.60	-39.84
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1CCOC1	REAL300008032266	0	42	-1.0	-48.91	346.82	4.08	-44.83
CC(C)(CCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-])S(C)(=O)=O	REAL300008032267	0	46	-1.0	-61.26	380.86	2.70	-58.56
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CCCCC1(F)F	REAL300008032268	0	44	-1.0	-51.07	360.26	6.73	-44.34
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008032269	0	42	-1.0	-49.57	358.26	7.70	-41.87
CN1C=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=N1	REAL300008032270	0	35	-1.0	-55.36	312.41	3.12	-52.24
CCC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008032271	0	43	-1.0	-51.24	369.63	7.41	-43.83
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008032272	0	35	-1.0	-47.68	324.25	6.09	-41.59
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008032273	0	35	-1.0	-47.62	328.81	6.20	-41.42
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008032274	0	37	-1.0	-48.52	335.74	6.24	-42.28
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008032275	0	41	-1.0	-52.41	353.51	7.86	-44.55
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008032276	0	37	-1.0	-51.08	335.79	6.25	-44.83
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032277	0	40	-1.0	-66.51	350.05	7.13	-59.38
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032278	0	39	-1.0	-50.31	337.01	4.87	-45.44
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008032279	0	37	-1.0	-63.78	324.36	7.06	-56.72
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032280	0	38	-1.0	-50.07	328.93	6.25	-43.82
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032281	0	42	-1.0	-50.27	358.86	5.80	-44.47
CC1=CC(C)=C(C)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1C	REAL300008032282	0	47	-1.0	-50.60	371.81	8.37	-42.23
CC1=CC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300008032283	0	44	-1.0	-49.97	355.23	7.77	-42.20
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032284	0	50	-1.0	-49.27	398.28	8.77	-40.50
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008032285	0	38	-1.0	-48.77	346.30	6.59	-42.18
CC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032286	0	38	-1.0	-50.08	328.97	6.25	-43.83
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C=CC1=CC=CC=C1	REAL300008032287	0	39	-1.0	-51.13	339.52	6.76	-44.37
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008032288	0	38	-1.0	-51.74	332.41	7.14	-44.60
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008032289	0	35	-1.0	-48.57	324.30	6.10	-42.47
CC(=O)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032290	0	40	-1.0	-52.07	348.76	5.98	-46.09
CC1=CC=C(C)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032291	0	41	-1.0	-61.83	343.26	7.14	-54.69
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300008032292	0	41	-1.0	-50.68	345.99	6.79	-43.89
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300008032293	0	41	-1.0	-49.36	343.47	7.13	-42.23
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008032294	0	41	-1.0	-53.64	363.08	6.33	-47.31
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032295	0	47	-1.0	-50.01	383.73	7.90	-42.11
CC(C)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032296	0	44	-1.0	-49.81	367.75	7.50	-42.31
CCCC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032297	0	44	-1.0	-49.57	371.91	7.79	-41.78
COC1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032298	0	39	-1.0	-51.56	328.11	5.42	-46.14
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC=C1	REAL300008032299	0	38	-1.0	-49.52	331.36	6.30	-43.22
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300008032300	0	38	-1.0	-48.14	347.06	6.77	-41.37
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008032301	0	39	-1.0	-47.76	353.51	5.37	-42.39
CC1=C(C)C(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1C	REAL300008032302	0	50	-1.0	-59.07	379.19	8.59	-50.48
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008032303	0	44	-1.0	-49.99	370.39	5.53	-44.46
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032304	0	51	-1.0	-51.37	404.31	7.75	-43.62
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008032305	0	40	-1.0	-52.60	351.44	6.76	-45.84
CC1=NNC(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032306	0	38	-1.0	-54.93	323.44	3.41	-51.52
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032307	0	53	-1.0	-50.07	410.03	9.43	-40.64
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008032308	0	38	-1.0	-47.63	346.25	6.58	-41.05
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008032309	0	45	-1.0	-50.85	370.28	8.07	-42.78
COC1=CC=C(OC)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032310	0	43	-1.0	-52.13	357.56	4.70	-47.43
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300008032311	0	43	-1.0	-52.46	366.29	4.79	-47.67
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008032312	0	42	-1.0	-60.71	352.74	7.49	-53.22
CC1=NOC(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032313	0	37	-1.0	-50.36	320.75	4.55	-45.81
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008032314	0	43	-1.0	-50.84	362.00	7.97	-42.87
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008032315	0	40	-1.0	-50.78	343.44	5.43	-45.35
CC(C)CCC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032316	0	50	-1.0	-49.32	410.98	9.08	-40.24
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1OCC	REAL300008032317	0	49	-1.0	-52.60	410.00	6.63	-45.97
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032318	0	40	-1.0	-56.65	361.71	0.53	-56.12
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008032319	0	43	-1.0	-64.00	370.80	7.39	-56.61
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1C	REAL300008032320	0	43	-1.0	-47.92	367.46	7.68	-40.24
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CCCCCC1	REAL300008032321	0	43	-1.0	-59.84	339.91	5.65	-54.19
CC1=CC2=CC=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=C2N=C1	REAL300008032322	0	43	-1.0	-57.05	361.14	7.35	-49.70
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008032323	0	41	-1.0	-57.65	353.86	6.36	-51.29
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032324	0	39	-1.0	-48.87	344.77	5.94	-42.93
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CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=CC=CN=C12	REAL300008032328	0	43	-1.0	-53.77	363.79	6.88	-46.89
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300008032329	0	43	-1.0	-57.60	362.93	8.26	-49.34
CC1CCN(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])CC1	REAL300008032330	0	43	-1.0	-59.07	346.23	5.39	-53.68
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008032331	0	47	-1.0	-59.58	393.50	4.92	-54.66
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O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008032333	0	45	-1.0	-56.19	361.29	8.60	-47.59
CC1CC(C)CN(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C1	REAL300008032334	0	46	-1.0	-46.75	354.20	5.80	-40.95
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008032335	0	41	-1.0	-53.49	348.58	7.93	-45.56
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008032336	0	45	-1.0	-51.79	381.70	8.99	-42.80
CC1=CC=C(F)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032337	0	38	-1.0	-47.37	328.48	6.52	-40.85
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=CC=C12	REAL300008032338	0	49	-1.0	-60.49	401.66	7.79	-52.70
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008032339	0	36	-1.0	-66.08	325.59	3.98	-62.10
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032340	0	39	-1.0	-48.84	344.82	5.94	-42.90
COC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032341	0	39	-1.0	-51.63	337.06	4.88	-46.75
CCC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032342	0	50	-1.0	-50.04	397.95	8.36	-41.68
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300008032343	0	38	-1.0	-49.26	343.03	6.70	-42.56
CC(C)OC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032344	0	45	-1.0	-50.80	376.78	6.42	-44.38
CCC1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032345	0	41	-1.0	-61.38	339.52	7.32	-54.06
CC1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032346	0	38	-1.0	-49.15	322.06	6.46	-42.69
CC1=NC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CN1C	REAL300008032347	0	38	-1.0	-57.59	331.05	4.45	-53.14
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008032348	0	38	-1.0	-48.45	348.10	6.81	-41.64
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008032349	0	36	-1.0	-57.19	318.42	4.29	-52.90
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008032350	0	40	-1.0	-56.94	339.77	6.71	-50.23
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032351	0	41	-1.0	-57.08	355.96	6.09	-50.99
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300008032352	0	39	-1.0	-51.05	343.28	4.95	-46.10
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300008032353	0	38	-1.0	-49.81	334.29	6.29	-43.52
CC1=CC=C(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032354	0	41	-1.0	-49.54	352.78	6.97	-42.57
CN1C=NC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032355	0	35	-1.0	-69.61	311.24	4.67	-64.94
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CN=C1	REAL300008032356	0	34	-1.0	-50.45	302.50	3.79	-46.66
CC1CCCCN1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032357	0	43	-1.0	-47.45	337.64	5.66	-41.79
CC(C)N(C)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032358	0	39	-1.0	-47.14	319.20	4.04	-43.10
CCCN(CCC)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032359	0	45	-1.0	-47.23	363.23	5.85	-41.38
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008032360	0	38	-1.0	-46.91	363.29	7.27	-39.64
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008032361	0	45	-1.0	-54.00	376.90	7.28	-46.72
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032362	0	40	-1.0	-47.67	350.29	7.13	-40.54
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032363	0	40	-1.0	-52.68	344.98	6.98	-45.70
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032364	0	43	-1.0	-66.07	366.90	8.03	-58.04
CC(C)CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032365	0	47	-1.0	-49.49	388.68	8.26	-41.23
COCCC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032366	0	45	-1.0	-50.17	384.09	6.09	-44.08
COCCN(CCOC)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032367	0	47	-1.0	-57.90	381.17	2.76	-55.14
CC1=CC=C(Cl)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032368	0	38	-1.0	-47.10	338.81	6.97	-40.13
COC1=C(C)C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300008032369	0	45	-1.0	-58.45	380.81	6.47	-51.98
CC(C)CCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032370	0	51	-1.0	-49.89	419.43	7.90	-41.99
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008032371	0	49	-1.0	-50.93	401.45	7.77	-43.16
CC(C)COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032372	0	48	-1.0	-50.03	400.47	7.29	-42.74
CCCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032373	0	45	-1.0	-50.06	380.36	6.60	-43.46
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300008032374	0	39	-1.0	-50.18	353.08	5.44	-44.74
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300008032375	0	42	-1.0	-50.72	357.13	5.63	-45.09
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC=C1OC(C)C	REAL300008032376	0	48	-1.0	-50.58	396.59	7.17	-43.41
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300008032377	0	42	-1.0	-50.29	351.53	5.76	-44.53
COCCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032378	0	46	-1.0	-51.76	392.49	5.07	-46.69
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC=C1F	REAL300008032379	0	38	-1.0	-51.95	336.59	6.33	-45.62
CC1=CC(Br)=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032380	0	38	-1.0	-46.98	343.36	7.07	-39.91
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1C	REAL300008032381	0	43	-1.0	-61.39	356.96	8.47	-52.92
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032382	0	44	-1.0	-69.44	382.53	3.99	-65.45
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032383	0	43	-1.0	-56.26	384.13	1.74	-54.52
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032384	0	43	-1.0	-74.67	353.57	2.70	-71.97
CC1=NC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])S1	REAL300008032385	0	37	-1.0	-50.21	332.80	4.15	-46.06
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008032386	0	38	-1.0	-50.77	333.59	6.48	-44.29
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CCCC1	REAL300008032387	0	41	-1.0	-47.21	334.50	6.00	-41.21
COC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300008032388	0	39	-1.0	-49.78	343.28	4.95	-44.83
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CSC=C1	REAL300008032389	0	32	-1.0	-48.19	298.67	4.48	-43.71
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008032390	0	45	-1.0	-52.41	381.77	9.00	-43.41
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008032391	0	38	-1.0	-46.25	364.75	7.31	-38.94
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CCCCC1	REAL300008032392	0	44	-1.0	-47.12	350.24	6.70	-40.42
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032393	0	43	-1.0	-56.64	361.09	7.36	-49.28
CNC(=O)C1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CN1C	REAL300008032394	0	43	-1.0	-54.79	371.77	3.22	-51.57
COC1=CC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300008032395	0	45	-1.0	-50.64	363.66	6.42	-44.22
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008032396	0	46	-1.0	-60.15	391.45	9.70	-50.45
COC1=CC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300008032397	0	45	-1.0	-49.83	371.61	6.50	-43.33
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008032398	0	43	-1.0	-59.43	354.51	6.84	-52.59
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008032399	0	40	-1.0	-54.86	343.88	6.14	-48.72
CCN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008032400	0	40	-1.0	-58.75	357.26	6.47	-52.28
CCN1C=C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008032400	1	39	-2.0	-131.44	355.30	6.09	-125.35
CCC(=O)C1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032401	0	43	-1.0	-55.89	370.65	6.85	-49.04
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008032402	0	45	-1.0	-57.98	393.20	7.14	-50.84
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008032403	0	38	-1.0	-64.48	335.77	4.78	-59.70
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032404	0	57	-1.0	-47.70	441.24	8.43	-39.27
CC1=CC=CC(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032405	0	41	-1.0	-49.73	352.77	6.96	-42.77
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032406	0	43	-1.0	-56.47	381.29	2.30	-54.17
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008032407	0	38	-1.0	-48.91	337.78	6.37	-42.54
CC1=CC=CC=C1CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032408	0	41	-1.0	-49.27	347.08	6.87	-42.40
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008032409	0	48	-1.0	-61.27	398.41	8.21	-53.06
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032410	0	45	-1.0	-51.85	371.36	7.01	-44.84
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008032411	0	40	-1.0	-57.92	355.84	5.76	-52.16
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008032412	0	42	-1.0	-60.99	367.80	6.70	-54.29
CCOCCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032413	0	49	-1.0	-51.77	414.34	6.03	-45.74
CCCCCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032414	0	51	-1.0	-49.86	423.36	8.16	-41.70
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008032415	0	45	-1.0	-50.29	363.26	8.27	-42.02
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008032416	0	41	-1.0	-51.86	355.98	7.40	-44.46
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008032417	0	40	-1.0	-50.92	343.49	4.87	-46.05
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008032418	0	43	-1.0	-57.72	371.17	6.84	-50.88
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008032419	0	41	-1.0	-52.20	351.24	2.03	-50.17
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008032420	0	40	-1.0	-53.42	355.78	5.75	-47.67
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300008032421	0	45	-1.0	-59.60	373.22	6.70	-52.90
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032422	0	43	-1.0	-57.40	384.18	1.75	-55.65
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008032423	0	39	-1.0	-58.41	337.50	5.69	-52.72
CSC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032424	0	39	-1.0	-49.95	347.72	6.60	-43.35
CCCCCCCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032425	0	46	-1.0	-47.20	378.96	7.19	-40.01
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008032426	0	41	-1.0	-48.85	370.10	7.29	-41.56
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032427	0	46	-1.0	-47.95	375.85	7.39	-40.56
CCN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])N=C1C	REAL300008032428	0	41	-1.0	-57.06	353.07	5.36	-51.70
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008032429	0	41	-1.0	-53.40	342.15	5.14	-48.26
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300008032430	0	40	-1.0	-53.41	343.69	6.04	-47.37
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CCCO1	REAL300008032431	0	39	-1.0	-49.99	327.02	3.92	-46.07
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CCCCO1	REAL300008032432	0	42	-1.0	-49.27	345.46	4.62	-44.65
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C(F)(F)F	REAL300008032433	0	41	-1.0	-49.44	362.00	7.11	-42.33
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008032434	0	44	-1.0	-52.24	372.40	7.18	-45.06
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=C12	REAL300008032435	0	43	-1.0	-59.18	373.54	5.31	-53.87
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032436	0	42	-1.0	-51.19	376.18	6.19	-45.00
COCC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032437	0	42	-1.0	-50.66	362.63	5.31	-45.35
CC1(C)CC2=CC=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=C2O1	REAL300008032438	0	46	-1.0	-67.31	378.51	6.83	-60.48
CCN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032439	0	38	-1.0	-57.79	333.31	4.14	-53.65
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008032440	0	38	-1.0	-50.59	344.86	6.74	-43.85
CC(C1CC1)N(C)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032441	0	43	-1.0	-48.91	348.44	5.55	-43.36
CN1N=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032442	0	35	-1.0	-58.57	301.40	2.99	-55.58
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008032443	0	38	-1.0	-51.13	358.42	7.19	-43.94
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CCOC1	REAL300008032444	0	39	-1.0	-48.33	323.62	3.50	-44.83
CC1CC2=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=CC=C2O1	REAL300008032445	0	43	-1.0	-50.89	364.59	6.19	-44.70
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032446	0	47	-1.0	-49.04	364.24	8.76	-40.28
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008032447	0	41	-1.0	-54.74	373.95	6.24	-48.50
COCCN(C)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032448	0	40	-1.0	-59.49	336.53	2.90	-56.59
CN(CC1CC1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032449	0	40	-1.0	-47.73	328.04	4.77	-42.96
CC1=NC(C2=CC=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=C2)=CO1	REAL300008032450	0	44	-1.0	-55.21	383.91	4.64	-50.57
CN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008032451	0	38	-1.0	-57.19	347.07	4.52	-52.67
CN1C=C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008032451	1	37	-2.0	-131.37	343.92	4.05	-127.32
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C(C)O1	REAL300008032452	0	38	-1.0	-50.16	331.50	5.12	-45.04
CC1=CSC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032453	0	35	-1.0	-49.04	321.14	5.25	-43.79
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008032454	0	38	-1.0	-54.81	337.34	5.97	-48.84
O=C([O-])C1=CC=CC=C1CC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008032454	1	37	-2.0	-134.99	335.10	5.60	-129.39
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008032455	0	38	-1.0	-51.86	333.61	4.24	-47.62
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032456	0	38	-1.0	-50.45	334.70	2.25	-48.20
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=C2CCCN12	REAL300008032457	0	39	-1.0	-55.59	335.55	5.02	-50.57
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])SC=C1	REAL300008032458	0	35	-1.0	-48.84	314.17	5.07	-43.77
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008032459	0	43	-1.0	-51.92	361.26	6.21	-45.71
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008032460	0	42	-1.0	-49.30	346.63	7.14	-42.16
CC1=CC=C(N2C=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=N2)C=C1	REAL300008032461	0	45	-1.0	-57.93	389.19	7.37	-50.56
CC1CC2=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=CC(Cl)=C2O1	REAL300008032462	0	43	-1.0	-50.72	381.35	6.70	-44.02
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008032463	0	40	-1.0	-48.88	351.45	6.76	-42.12
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCCCF	REAL300008032464	0	37	-1.0	-48.62	321.05	4.98	-43.64
CC1=NN(C)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032465	0	38	-1.0	-59.05	330.58	3.90	-55.15
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])O1	REAL300008032466	0	35	-1.0	-51.82	312.12	4.39	-47.43
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])N(C)N=C1	REAL300008032467	0	38	-1.0	-54.90	324.10	4.04	-50.86
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008032468	0	37	-1.0	-58.01	339.23	5.07	-52.94
CN(C)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032469	0	43	-1.0	-51.73	359.01	5.98	-45.75
CC1=CC2=CC=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=C2C=C1	REAL300008032470	0	44	-1.0	-60.25	374.53	8.50	-51.75
COC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])SC=C1	REAL300008032471	0	36	-1.0	-66.82	325.18	3.71	-63.11
CN(C)C1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032472	0	43	-1.0	-51.60	358.04	5.96	-45.64
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008032473	0	40	-1.0	-53.74	337.22	5.45	-48.29
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008032474	0	40	-1.0	-53.36	354.63	5.64	-47.72
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008032475	0	40	-1.0	-52.22	343.37	5.42	-46.80
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008032476	0	41	-1.0	-48.42	369.60	7.61	-40.81
CN1CCCC2=CC=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=C21	REAL300008032477	0	47	-1.0	-53.23	381.71	6.12	-47.11
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008032478	0	37	-1.0	-49.39	342.23	4.81	-44.58
COC1=CC=CC(OC)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032479	0	43	-1.0	-56.32	361.59	6.10	-50.22
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032480	0	43	-1.0	-52.05	366.37	7.64	-44.41
CC1=CC=C(C)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1[N+](=O)[O-]	REAL300008032481	0	43	-1.0	-55.99	362.45	8.52	-47.47
CC1=CC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008032482	0	43	-1.0	-66.91	366.87	7.55	-59.36
COC1=CC=C(CCS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032483	0	45	-1.0	-50.30	382.38	6.39	-43.91
COC1=CN=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032484	0	38	-1.0	-51.34	332.14	3.05	-48.29
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])S1	REAL300008032485	0	44	-1.0	-60.32	380.21	7.23	-53.09
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008032486	0	42	-1.0	-50.06	356.75	7.68	-42.38
COC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC(OC)=C1	REAL300008032487	0	43	-1.0	-61.82	366.21	4.19	-57.63
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1CCCCC1	REAL300008032488	0	47	-1.0	-47.45	373.56	7.25	-40.20
CC1=CC=C(CCS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032489	0	44	-1.0	-49.24	374.28	7.77	-41.47
CC1=CC2=C(C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-])OCO2	REAL300008032490	0	41	-1.0	-49.07	348.08	5.11	-43.96
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008032491	0	38	-1.0	-65.27	329.31	5.78	-59.49
COC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300008032492	0	39	-1.0	-49.20	353.09	5.44	-43.76
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1CCCC1	REAL300008032493	0	44	-1.0	-47.51	357.16	6.68	-40.83
CN1C=NC2=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300008032494	0	41	-1.0	-58.04	355.84	6.93	-51.11
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008032495	0	43	-1.0	-70.99	360.87	7.34	-63.65
CC1=NC2=CC=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=C2O1	REAL300008032496	0	40	-1.0	-54.01	351.22	3.24	-50.77
CCC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1CC	REAL300008032497	0	47	-1.0	-50.58	384.63	8.15	-42.43
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032498	0	43	-1.0	-48.23	362.05	7.77	-40.46
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032499	0	45	-1.0	-52.98	371.11	7.34	-45.64
CC1=C(C)SC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032500	0	38	-1.0	-60.50	340.18	5.97	-54.53
NC1=NC=C(Cl)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032501	0	36	-1.0	-48.23	329.85	3.43	-44.80
CC1=NC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])S1	REAL300008032502	0	34	-1.0	-49.97	316.10	3.41	-46.56
CCC1=NC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])S1	REAL300008032503	0	37	-1.0	-57.53	337.23	4.16	-53.37
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(N)=NO1	REAL300008032504	0	36	-1.0	-51.05	314.00	2.98	-48.07
CC1=C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])C(N)=NO1	REAL300008032504	1	35	-2.0	-120.00	311.41	2.60	-117.40
CN(C)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032505	0	42	-1.0	-53.18	357.43	5.41	-47.77
CC1=CC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])S1	REAL300008032506	0	38	-1.0	-61.16	333.24	5.89	-55.27
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008032507	0	41	-1.0	-48.38	338.58	6.79	-41.59
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008032508	0	38	-1.0	-52.04	327.91	4.14	-47.90
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC(C)=C1F	REAL300008032509	0	41	-1.0	-56.30	354.25	6.92	-49.38
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008032510	0	42	-1.0	-54.81	363.56	5.34	-49.47
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CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032514	0	37	-1.0	-51.40	324.12	4.40	-47.00
CC1=NC(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CS1	REAL300008032515	0	37	-1.0	-51.84	337.86	3.98	-47.86
COC(CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-])C1CC1	REAL300008032516	0	42	-1.0	-48.88	351.08	4.94	-43.94
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008032517	0	38	-1.0	-47.29	348.10	6.82	-40.47
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300008032518	0	38	-1.0	-56.36	342.70	6.68	-49.68
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008032519	0	41	-1.0	-55.88	355.66	6.57	-49.31
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008032520	0	43	-1.0	-64.89	350.56	6.77	-58.12
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008032521	0	42	-1.0	-54.89	372.61	3.43	-51.46
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008032522	0	44	-1.0	-57.34	369.27	5.93	-51.41
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008032523	0	38	-1.0	-48.51	351.16	6.80	-41.71
CCC(C)OC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032524	0	48	-1.0	-51.93	397.25	7.23	-44.70
COC(CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-])C1CCCC1	REAL300008032525	0	48	-1.0	-47.84	380.84	5.93	-41.91
COC(CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-])C1CCCCC1	REAL300008032526	0	51	-1.0	-49.15	398.68	6.58	-42.57
CC1(C)CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])CO1	REAL300008032527	0	42	-1.0	-59.46	346.90	4.20	-55.26
CCOC(CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-])C1CC1	REAL300008032528	0	45	-1.0	-48.74	371.59	5.89	-42.85
CCC1=NC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CN1CC1CC1	REAL300008032529	0	48	-1.0	-56.51	401.64	7.34	-49.17
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008032530	0	38	-1.0	-57.79	346.97	5.09	-52.70
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008032531	0	43	-1.0	-56.13	370.64	8.02	-48.11
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032532	0	42	-1.0	-56.27	353.77	5.47	-50.80
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008032533	0	48	-1.0	-56.54	408.22	7.91	-48.63
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032534	0	38	-1.0	-49.57	349.18	4.20	-45.37
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008032535	0	45	-1.0	-55.58	373.65	8.99	-46.59
CCC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C(C)C=C1OC	REAL300008032536	0	48	-1.0	-49.69	393.23	7.25	-42.44
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300008032537	0	36	-2.0	-146.54	332.08	4.19	-142.35
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=N1	REAL300008032537	1	37	-1.0	-57.19	334.66	4.58	-52.61
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008032538	0	44	-1.0	-53.53	359.27	8.69	-44.84
CC(C)OC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032539	0	44	-1.0	-56.09	376.40	4.14	-51.95
COC1=C(F)C=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032540	0	39	-1.0	-57.53	341.51	5.63	-51.90
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C(C)C	REAL300008032541	0	51	-1.0	-50.81	417.52	7.83	-42.98
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300008032542	0	47	-1.0	-49.86	385.79	7.84	-42.02
CN1N=C2CCCCC2=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032543	0	45	-1.0	-52.56	366.50	5.61	-46.95
CN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300008032544	0	47	-1.0	-64.19	378.04	5.85	-58.34
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008032545	0	45	-1.0	-57.18	374.65	5.92	-51.26
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032546	0	38	-1.0	-57.69	333.46	4.16	-53.53
COC1=CC=C(F)C=C1CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032547	0	42	-1.0	-51.50	365.86	5.73	-45.77
C=CCCC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032548	0	45	-1.0	-49.47	384.72	8.36	-41.11
CCC1=NN(C)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032549	0	41	-1.0	-53.75	353.05	4.59	-49.16
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008032550	0	39	-1.0	-48.57	356.25	7.28	-41.29
CCCOC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1CC	REAL300008032551	0	51	-1.0	-50.55	422.10	8.10	-42.45
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032552	0	41	-1.0	-47.60	350.62	7.62	-39.98
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCCC1CC1	REAL300008032553	0	41	-1.0	-47.29	345.98	6.41	-40.88
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008032554	0	39	-1.0	-50.08	353.67	7.18	-42.90
CCCC1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032555	0	44	-1.0	-48.92	360.76	8.13	-40.79
COC1=NC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032556	0	38	-1.0	-53.48	325.89	2.80	-50.68
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008032557	0	40	-1.0	-56.22	343.74	6.13	-50.09
CC1=NC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])N1C	REAL300008032558	0	38	-1.0	-53.51	326.75	4.62	-48.89
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=N1	REAL300008032559	0	34	-1.0	-53.20	303.40	3.69	-49.51
CC1=CSC(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032560	0	38	-1.0	-55.04	328.90	6.22	-48.82
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008032561	0	42	-1.0	-53.34	357.47	5.27	-48.07
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300008032562	0	42	-1.0	-51.75	354.86	5.48	-46.27
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008032563	0	45	-1.0	-58.59	370.68	5.87	-52.72
CC1(C)COC2=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=NN2C1	REAL300008032564	0	46	-1.0	-52.60	378.44	3.64	-48.96
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008032565	0	41	-1.0	-52.68	374.41	6.49	-46.19
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300008032566	0	42	-1.0	-56.81	348.19	5.54	-51.27
COC1=CC(C(C)C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300008032567	0	51	-1.0	-61.79	410.83	7.69	-54.10
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032568	0	45	-1.0	-61.54	374.32	7.04	-54.50
CC1CC2=CC=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=C2O1	REAL300008032569	0	43	-1.0	-54.39	358.36	6.21	-48.18
CC(C)(C)C1=NC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])S1	REAL300008032570	0	43	-1.0	-50.45	376.24	5.25	-45.20
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008032571	0	41	-1.0	-53.42	359.84	6.15	-47.27
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032572	0	40	-1.0	-69.38	348.97	5.16	-64.22
CCN1N=NC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032573	0	37	-1.0	-51.27	322.94	2.84	-48.43
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008032574	0	44	-1.0	-58.94	351.18	5.48	-53.46
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008032575	0	36	-1.0	-48.65	322.45	4.37	-44.28
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008032576	0	38	-1.0	-52.33	346.38	7.00	-45.33
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032577	0	42	-1.0	-52.08	359.51	5.30	-46.78
CC1=CC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1F	REAL300008032578	0	44	-1.0	-50.22	354.77	7.60	-42.62
COC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300008032579	0	43	-1.0	-60.65	364.68	5.42	-55.23
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=COC2=CC=CC=C12	REAL300008032580	0	38	-1.0	-52.78	330.53	5.55	-47.23
CN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300008032581	0	48	-1.0	-54.25	379.56	5.76	-48.49
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032582	0	47	-1.0	-56.42	386.40	6.19	-50.23
CCCCN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=N1	REAL300008032583	0	47	-1.0	-54.42	397.01	6.27	-48.15
CN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300008032584	0	42	-1.0	-53.64	351.14	4.94	-48.70
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008032585	0	39	-1.0	-52.38	346.76	5.15	-47.23
CN1N=NC2=C(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])C=CC=C21	REAL300008032586	0	40	-1.0	-62.48	345.88	4.00	-58.48
CC1(C)CCCN(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C1	REAL300008032587	0	46	-1.0	-59.76	361.73	5.97	-53.79
CN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C2CCC2)=N1	REAL300008032588	0	45	-1.0	-53.69	361.92	5.25	-48.44
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032589	0	53	-1.0	-62.66	421.41	9.59	-53.07
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008032590	0	45	-1.0	-57.24	381.20	6.22	-51.02
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008032591	0	39	-1.0	-50.19	344.32	6.78	-43.41
COC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008032592	0	44	-1.0	-75.81	372.67	6.80	-69.01
CCCC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032593	0	44	-1.0	-49.85	371.96	7.79	-42.06
CN1N=C2CCCC2=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032594	0	42	-1.0	-57.45	352.91	5.09	-52.36
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300008032595	0	41	-1.0	-59.47	335.79	5.09	-54.38
CC1=CC=CC(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032596	0	41	-1.0	-49.42	333.94	7.09	-42.33
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032597	0	44	-1.0	-49.53	354.98	5.34	-44.19
CC(C)(C)N1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032598	0	44	-1.0	-57.71	371.72	5.29	-52.42
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300008032599	0	42	-1.0	-52.06	338.71	3.91	-48.15
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300008032600	0	40	-1.0	-49.44	358.49	5.40	-44.04
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008032601	0	38	-1.0	-54.57	352.37	6.65	-47.92
CC1=NN(C)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032602	0	38	-1.0	-51.47	329.75	3.80	-47.67
CC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1C	REAL300008032603	0	41	-1.0	-49.45	339.98	7.05	-42.40
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032604	0	46	-1.0	-55.65	392.15	7.62	-48.03
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008032605	0	46	-1.0	-50.96	377.24	8.62	-42.34
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008032606	0	41	-1.0	-49.01	369.93	6.61	-42.40
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008032607	0	41	-1.0	-50.06	350.01	6.02	-44.04
CN(C1CCC1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032608	0	40	-1.0	-47.43	325.69	4.60	-42.83
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008032609	0	42	-1.0	-52.70	360.59	3.93	-48.77
O=C([O-])C1=CC=CC=C1CCNC(=O)N1CCC(F)(F)CC1	REAL300008032610	0	39	-1.0	-55.23	316.52	7.61	-47.62
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008032611	0	35	-1.0	-50.02	326.85	5.98	-44.04
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008032612	0	42	-1.0	-50.30	356.79	7.69	-42.61
COC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=CS1	REAL300008032613	0	36	-1.0	-61.33	323.04	4.09	-57.24
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008032614	0	45	-1.0	-51.84	372.32	6.19	-45.65
CCC(C)N1N=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032615	0	44	-1.0	-59.13	362.39	5.18	-53.95
CN(C(C)(C)C)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032616	0	42	-1.0	-47.41	333.22	5.07	-42.34
CCC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])O1	REAL300008032617	0	38	-1.0	-61.51	333.30	5.18	-56.33
CN(C1CCCCCC1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032618	0	49	-1.0	-47.49	372.93	6.36	-41.13
CN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C2CCOCC2)=N1	REAL300008032619	0	49	-1.0	-59.31	405.77	4.70	-54.61
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032620	0	41	-1.0	-51.82	360.78	7.12	-44.70
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008032621	0	39	-1.0	-52.26	346.82	5.16	-47.10
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008032622	0	50	-1.0	-47.78	403.13	8.24	-39.54
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])S1	REAL300008032623	0	36	-1.0	-49.46	331.35	4.03	-45.43
CC1=CC(C)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=NC=CC=C12	REAL300008032624	0	46	-1.0	-70.66	378.64	7.87	-62.79
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008032625	0	43	-1.0	-59.69	362.78	5.70	-53.99
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(CCF)N=C1	REAL300008032626	0	38	-1.0	-60.41	339.90	4.28	-56.13
CCOCC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032627	0	45	-1.0	-50.57	384.49	6.27	-44.30
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032628	0	45	-1.0	-54.20	387.24	6.77	-47.43
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008032629	0	48	-1.0	-56.95	393.63	6.52	-50.43
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008032630	0	46	-1.0	-50.51	396.61	8.44	-42.07
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1CF	REAL300008032631	0	38	-1.0	-63.04	327.80	6.63	-56.41
CC1=CN=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032632	0	37	-1.0	-50.86	324.01	4.45	-46.41
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008032633	0	44	-1.0	-53.91	366.25	8.47	-45.44
CN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008032634	0	45	-1.0	-56.64	375.18	6.49	-50.15
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CC2CC1C2	REAL300008032635	0	38	-1.0	-49.72	319.38	4.47	-45.25
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008032636	0	39	-1.0	-49.62	345.93	6.83	-42.79
CCOCCCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032637	0	41	-1.0	-47.73	348.49	4.10	-43.63
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008032638	0	40	-1.0	-51.25	351.35	-0.52	-51.77
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008032639	0	38	-1.0	-57.29	333.06	5.98	-51.31
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1CCC(F)(F)CC1	REAL300008032640	0	41	-1.0	-46.29	344.17	6.09	-40.20
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008032641	0	37	-1.0	-58.83	338.18	4.97	-53.86
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCOC1CCOC1	REAL300008032642	0	43	-1.0	-49.46	362.41	2.77	-46.69
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1COCCO1	REAL300008032643	0	40	-1.0	-49.48	336.38	2.78	-46.70
CC1=NC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008032644	0	44	-1.0	-57.83	384.67	4.67	-53.16
CC1=NC(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008032644	1	43	-2.0	-134.99	378.65	4.44	-130.55
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008032645	0	52	-1.0	-47.71	384.62	8.47	-39.24
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CCN1C=NN=N1	REAL300008032646	0	36	-1.0	-58.01	322.40	3.46	-54.55
CC1(C)COC(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C1	REAL300008032647	0	45	-1.0	-63.91	367.24	4.90	-59.01
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1CS(=O)(=O)C1	REAL300008032648	0	38	-1.0	-52.84	338.60	1.27	-51.57
CC(C)(CS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-])C(C)(F)F	REAL300008032649	0	43	-1.0	-51.19	346.61	6.05	-45.14
CS(=O)(=O)CCCCS(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032650	0	43	-1.0	-60.48	378.10	2.40	-58.08
CC1(C)CCC(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])OC1	REAL300008032651	0	48	-1.0	-63.17	381.51	5.96	-57.21
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008032652	0	45	-1.0	-47.50	378.09	7.88	-39.62
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008032653	0	39	-1.0	-54.26	355.51	4.62	-49.64
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008032654	0	45	-1.0	-63.28	389.22	8.45	-54.83
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008032655	0	44	-1.0	-50.07	361.62	3.02	-47.05
COCCC1(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])CC1	REAL300008032656	0	42	-1.0	-44.63	340.65	4.30	-40.33
CCN1N=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=N1	REAL300008032657	0	37	-1.0	-52.82	328.28	2.45	-50.37
CCN1N=CC(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300008032657	1	36	-2.0	-128.53	326.03	2.07	-126.46
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008032658	0	48	-1.0	-61.45	375.11	7.59	-53.86
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008032659	0	39	-1.0	-49.98	351.38	6.90	-43.08
COC1=CC=C(C=C(C)S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300008032660	0	46	-1.0	-51.45	381.26	6.58	-44.87
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032661	0	40	-1.0	-49.41	335.89	2.51	-46.90
CC1=COC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032662	0	35	-1.0	-60.78	311.81	4.25	-56.53
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])O1	REAL300008032663	0	35	-1.0	-51.82	312.12	4.39	-47.43
CCC1=NNC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032664	0	38	-1.0	-57.71	329.83	3.30	-54.41
COC1=CSC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300008032665	0	40	-1.0	-47.93	356.43	3.43	-44.50
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008032666	0	47	-1.0	-58.71	367.59	6.06	-52.65
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032667	0	46	-1.0	-48.73	387.79	7.46	-41.27
COC1=CC(F)=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300008032668	0	39	-1.0	-50.71	345.51	5.15	-45.56
COC1=CC(F)=C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300008032668	1	38	-2.0	-134.43	343.27	4.79	-129.64
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008032669	0	39	-1.0	-52.40	353.04	5.23	-47.17
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032670	0	41	-1.0	-54.76	351.99	5.53	-49.23
CN1C=CC2=CC(S(=O)(=O)NCCC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300008032671	0	42	-1.0	-55.01	361.27	7.34	-47.67
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032672	0	48	-1.0	-59.70	401.58	8.01	-51.69
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008032673	0	46	-1.0	-52.84	396.78	8.45	-44.39
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032674	0	41	-1.0	-66.59	344.19	7.59	-59.00
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008032675	0	36	-1.0	-52.46	342.69	4.45	-48.01
C=C(C)COC1=CC=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032676	0	46	-1.0	-52.08	391.24	7.21	-44.87
CCN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300008032677	0	45	-1.0	-53.61	372.66	5.80	-47.81
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300008032678	0	39	-1.0	-53.25	336.80	4.46	-48.79
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008032679	0	41	-1.0	-49.97	370.20	8.36	-41.61
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008032680	0	34	-1.0	-55.16	334.56	3.56	-51.60
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032681	0	48	-1.0	-51.98	394.33	6.77	-45.21
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=C(Cl)OC=C1	REAL300008032682	0	32	-1.0	-58.43	297.45	3.71	-54.72
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC(Cl)=CS1	REAL300008032683	0	32	-1.0	-46.96	316.38	5.10	-41.86
COCCC1=CC=C(OC)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032684	0	49	-1.0	-51.21	404.66	5.92	-45.29
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008032685	0	41	-1.0	-52.60	354.89	7.88	-44.72
CN1N=C2CCOCC2=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032686	0	43	-1.0	-53.87	358.25	3.25	-50.62
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008032687	0	42	-1.0	-50.28	350.40	7.82	-42.46
CC1(C)CCN(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])CC1	REAL300008032688	0	46	-1.0	-58.28	357.76	5.55	-52.73
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032689	0	38	-1.0	-49.46	342.70	3.30	-46.16
COC1=NC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300008032690	0	41	-1.0	-50.62	354.88	3.00	-47.62
CC(C)CN1C=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008032691	0	44	-1.0	-61.47	374.62	5.68	-55.79
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032692	0	44	-1.0	-58.45	372.54	5.25	-53.20
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008032693	0	45	-1.0	-60.27	369.60	3.35	-56.92
COCC1=CC(CS(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=NO1	REAL300008032694	0	41	-1.0	-52.80	361.87	3.46	-49.34
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])N=C1	REAL300008032695	0	46	-1.0	-52.77	379.96	5.97	-46.80
CC(C)N1N=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032696	0	41	-1.0	-51.35	347.61	4.78	-46.57
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300008032697	0	42	-1.0	-50.49	356.43	5.74	-44.75
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008032698	0	42	-1.0	-65.32	360.40	6.51	-58.81
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008032699	0	37	-1.0	-53.93	335.76	4.51	-49.42
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300008032700	0	40	-1.0	-55.23	342.72	5.96	-49.27
CC1=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C=NN1C(C)C	REAL300008032701	0	44	-1.0	-63.51	370.49	5.38	-58.13
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008032702	0	40	-1.0	-67.10	343.98	6.10	-61.00
CC1=CN=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300008032703	0	40	-1.0	-53.35	340.06	5.18	-48.17
CC1=CN=CC=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032704	0	37	-1.0	-48.83	317.64	4.65	-44.18
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CC=C(Br)CC1	REAL300008032705	0	38	-1.0	-56.27	335.27	5.15	-51.12
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032706	0	43	-1.0	-51.22	365.03	1.42	-49.80
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CC2CCC(C1)O2	REAL300008032707	0	42	-1.0	-57.76	338.86	3.72	-54.04
N#CC1CCN(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])CC1	REAL300008032708	0	41	-1.0	-56.08	344.02	4.95	-51.13
COC1=CC=NC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032709	0	38	-1.0	-54.16	333.14	3.00	-51.16
C=CCN(CC=C)S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032710	0	41	-1.0	-47.46	347.68	5.45	-42.01
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C(C(F)F)=C1	REAL300008032711	0	42	-1.0	-63.37	356.66	6.35	-57.02
COC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])N=C1	REAL300008032712	0	38	-1.0	-52.63	332.99	2.94	-49.69
CC1=CC=CN=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032713	0	37	-1.0	-53.22	318.77	4.51	-48.71
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008032714	0	40	-1.0	-59.43	343.79	6.02	-53.41
CCOC1=CC=CN=C1S(=O)(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300008032715	0	41	-1.0	-56.69	352.45	4.87	-51.82
CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])C2=NC=CC=C12	REAL300008032716	0	43	-1.0	-57.10	357.52	7.24	-49.86
CC1=CC(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC=N1	REAL300008032717	0	37	-1.0	-50.17	324.35	4.40	-45.77
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008032718	0	39	-1.0	-55.04	334.12	5.22	-49.82
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)N1CCC(F)(F)C1	REAL300008032719	0	37	-1.0	-58.14	324.21	4.07	-54.07
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CN=CS1	REAL300008032720	0	31	-1.0	-49.29	294.15	2.70	-46.59
O=C([O-])C1=CC=CC=C1CCNS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008032721	0	37	-1.0	-55.85	337.73	4.61	-51.24
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300008032722	0	48	-1.0	-51.65	386.75	7.53	-44.12
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300008032723	0	39	-1.0	-49.52	330.17	5.82	-43.70
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)CC)C=C1	REAL300008032724	0	46	-1.0	-44.93	366.07	7.92	-37.01
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300008032725	0	31	-1.0	-52.93	292.05	5.79	-47.14
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300008032726	0	41	-1.0	-45.56	327.60	5.58	-39.98
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300008032727	0	37	-1.0	-39.96	312.50	6.31	-33.65
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008032728	0	38	-1.0	-43.19	321.36	5.93	-37.26
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008032729	0	40	-1.0	-53.87	347.27	2.77	-51.10
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008032730	0	38	-1.0	-52.38	327.14	5.87	-46.51
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300008032731	0	45	-1.0	-41.61	348.10	4.79	-36.82
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300008032732	0	37	-1.0	-50.44	309.02	6.42	-44.02
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300008032733	0	40	-1.0	-45.55	321.11	4.23	-41.32
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008032734	0	50	-1.0	-57.67	390.64	9.28	-48.39
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008032735	0	40	-1.0	-46.43	331.89	4.49	-41.94
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300008032736	0	34	-1.0	-51.53	293.68	5.86	-45.67
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008032737	0	34	-1.0	-55.39	309.74	6.04	-49.35
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300008032738	0	39	-1.0	-74.55	307.27	7.69	-66.86
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008032739	0	40	-1.0	-43.28	348.77	7.37	-35.91
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008032740	0	44	-1.0	-70.69	370.92	2.12	-68.57
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300008032741	0	45	-1.0	-47.76	369.19	7.09	-40.67
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300008032742	0	37	-1.0	-42.47	315.21	6.06	-36.41
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008032743	0	40	-1.0	-54.75	331.64	5.78	-48.97
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300008032744	0	41	-1.0	-45.11	342.45	5.06	-40.05
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC)N=C1	REAL300008032745	0	40	-1.0	-53.95	337.69	3.27	-50.68
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008032746	0	43	-1.0	-56.28	372.41	3.53	-52.75
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300008032747	0	39	-1.0	-73.72	332.53	2.29	-71.43
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300008032748	0	44	-1.0	-44.52	338.36	5.51	-39.01
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008032749	0	39	-1.0	-43.73	337.96	5.58	-38.15
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008032750	0	37	-1.0	-60.50	332.95	6.97	-53.53
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008032751	0	39	-1.0	-52.27	324.76	5.58	-46.69
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300008032752	0	43	-1.0	-53.21	348.08	6.66	-46.55
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300008032753	0	43	-1.0	-47.93	338.36	5.03	-42.90
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300008032754	0	40	-1.0	-59.16	333.56	4.57	-54.59
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300008032755	0	43	-1.0	-58.87	348.93	6.15	-52.72
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300008032756	0	40	-1.0	-55.49	331.12	5.75	-49.74
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300008032757	0	40	-1.0	-52.19	331.35	3.77	-48.42
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008032758	0	46	-1.0	-54.92	331.35	7.90	-47.02
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008032759	0	42	-1.0	-64.34	350.37	4.64	-59.70
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300008032760	0	42	-1.0	-43.81	347.30	4.63	-39.18
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300008032761	0	37	-1.0	-58.07	328.73	6.97	-51.10
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C	REAL300008032762	0	37	-1.0	-44.62	296.21	5.71	-38.91
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008032763	0	40	-1.0	-42.84	338.27	8.13	-34.71
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008032764	0	39	-1.0	-49.84	331.83	7.09	-42.75
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008032765	0	38	-1.0	-55.94	333.92	5.06	-50.88
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008032766	0	41	-1.0	-44.32	346.48	6.74	-37.58
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300008032767	0	49	-1.0	-43.70	371.53	6.11	-37.59
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008032768	0	37	-1.0	-45.39	318.76	6.12	-39.27
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300008032769	0	45	-1.0	-45.38	363.07	4.70	-40.68
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035001	0	45	-1.0	-48.63	348.16	7.07	-41.56
CC(C)(C)N1C=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C=N1	REAL300008035002	0	45	-1.0	-53.24	366.08	7.10	-46.14
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300008035003	0	43	-1.0	-53.10	349.24	6.41	-46.69
CC1=NN(C)C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300008035004	0	39	-1.0	-47.82	324.96	5.73	-42.09
CC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1C	REAL300008035005	0	42	-1.0	-51.20	329.21	8.48	-42.72
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300008035006	0	47	-1.0	-55.00	385.82	9.45	-45.55
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300008035007	0	47	-1.0	-52.49	369.69	10.47	-42.02
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300008035008	0	43	-1.0	-58.28	357.49	5.90	-52.38
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300008035009	0	36	-1.0	-51.31	329.06	7.76	-43.55
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300008035010	0	43	-1.0	-51.10	350.45	9.48	-41.62
COC1=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C=CS1	REAL300008035011	0	37	-1.0	-51.24	328.03	6.06	-45.18
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300008035012	0	46	-1.0	-47.91	367.16	8.12	-39.79
CCC(C)N1N=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035013	0	45	-1.0	-48.11	361.50	7.30	-40.81
CCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)O1	REAL300008035014	0	39	-1.0	-53.24	328.88	7.06	-46.18
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300008035015	0	42	-1.0	-50.15	354.45	8.92	-41.23
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300008035016	0	40	-1.0	-52.64	340.19	6.95	-45.69
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)S1	REAL300008035017	0	37	-1.0	-49.62	325.81	5.90	-43.72
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C2=NC=CC=C12	REAL300008035018	0	47	-1.0	-54.65	371.59	9.50	-45.15
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300008035019	0	39	-1.0	-50.55	335.48	6.11	-44.44
CCOCC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300008035020	0	46	-1.0	-53.10	377.85	8.06	-45.04
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035021	0	46	-1.0	-48.98	382.42	8.70	-40.28
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300008035022	0	49	-1.0	-49.82	389.21	8.36	-41.46
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300008035023	0	39	-1.0	-52.82	319.90	8.29	-44.53
CC1=CN=CC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300008035024	0	38	-1.0	-49.26	317.39	6.23	-43.03
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C2=CC=CC=C12	REAL300008035025	0	45	-1.0	-56.71	357.02	10.01	-46.70
CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C(C2=CC=CC=C2)=N1	REAL300008035026	0	46	-1.0	-54.83	386.09	8.85	-45.98
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300008035027	0	40	-1.0	-51.37	342.00	8.74	-42.63
CCOCCCS(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035028	0	42	-1.0	-52.91	345.33	6.05	-46.86
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300008035029	0	41	-1.0	-57.98	347.95	1.42	-56.56
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300008035030	0	39	-1.0	-51.03	328.00	7.87	-43.16
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300008035031	0	42	-1.0	-53.85	339.03	8.04	-45.81
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300008035032	0	38	-1.0	-51.10	332.23	6.79	-44.31
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CCOC2CCOC2)C1	REAL300008035033	0	44	-1.0	-51.22	359.21	4.73	-46.49
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CC2COCCO2)C1	REAL300008035034	0	41	-1.0	-53.44	332.93	4.72	-48.72
CC1=NC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C(C2=CC=CC=C2)O1	REAL300008035035	0	45	-1.0	-55.50	381.60	6.52	-48.98
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300008035036	0	53	-1.0	-53.25	382.35	10.43	-42.82
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CCN2C=NN=N2)C1	REAL300008035037	0	37	-1.0	-58.99	319.20	5.41	-53.58
CC1(C)COC(CS(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C1	REAL300008035038	0	46	-1.0	-54.13	365.52	7.02	-47.11
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300008035039	0	39	-1.0	-59.86	335.45	3.22	-56.64
CC(C)(CS(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21)C(C)(F)F	REAL300008035040	0	44	-1.0	-51.67	343.40	7.98	-43.69
CS(=O)(=O)CCCCS(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035041	0	44	-1.0	-62.50	374.94	4.36	-58.14
CC1(C)CCC(CS(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)OC1	REAL300008035042	0	49	-1.0	-54.57	378.38	7.86	-46.71
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300008035043	0	46	-1.0	-51.78	375.86	9.86	-41.92
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300008035044	0	40	-1.0	-54.90	352.68	6.56	-48.34
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300008035045	0	45	-1.0	-56.40	356.83	4.90	-51.50
COCCC1(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)CC1	REAL300008035046	0	43	-1.0	-50.46	340.47	6.57	-43.89
CCN1N=CC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=N1	REAL300008035047	0	38	-1.0	-52.60	322.80	4.26	-48.34
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300008035048	0	49	-1.0	-51.68	371.76	9.53	-42.15
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300008035049	0	40	-1.0	-50.02	345.83	8.77	-41.25
COC1=CC=C(C=C(C)S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C=C1	REAL300008035050	0	47	-1.0	-51.79	379.83	8.53	-43.26
CC1=COC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300008035051	0	36	-1.0	-52.67	307.38	6.13	-46.54
COC1=CSC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1OC	REAL300008035052	0	41	-1.0	-52.47	351.62	5.98	-46.49
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035053	0	42	-1.0	-50.28	341.28	7.07	-43.21
CN1C=CC2=CC(S(=O)(=O)N3CC(C(=O)[O-])CC4=CC=CC=C43)=CC=C21	REAL300008035054	0	43	-1.0	-54.36	354.68	9.15	-45.21
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035055	0	42	-1.0	-60.26	347.43	9.44	-50.82
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300008035056	0	47	-1.0	-51.37	384.90	9.01	-42.36
CCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C(C2CC2)=N1	REAL300008035057	0	46	-1.0	-53.85	380.57	8.24	-45.61
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C2=NSN=C2C=C1	REAL300008035058	0	40	-1.0	-56.59	342.64	7.17	-49.42
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300008035059	0	35	-1.0	-48.07	332.01	5.83	-42.24
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300008035060	0	49	-1.0	-48.23	389.56	8.71	-39.52
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=C(Cl)OC=C2)C1	REAL300008035061	0	33	-1.0	-49.87	303.83	6.10	-43.77
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300008035062	0	33	-1.0	-47.86	310.36	6.93	-40.93
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035063	0	44	-1.0	-49.15	353.60	4.94	-44.21
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300008035064	0	43	-1.0	-53.35	336.80	9.14	-44.21
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035065	0	39	-1.0	-50.52	345.03	5.17	-45.35
COC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C=C1C	REAL300008035066	0	42	-1.0	-48.65	348.56	4.78	-43.87
CC(C)CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C=N1	REAL300008035067	0	45	-1.0	-53.94	365.74	7.57	-46.37
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035068	0	45	-1.0	-51.28	366.69	7.24	-44.04
COCC1=CC(CS(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=NO1	REAL300008035069	0	42	-1.0	-57.10	359.09	5.42	-51.68
CC(C)N1N=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300008035070	0	42	-1.0	-47.19	344.17	6.76	-40.43
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300008035071	0	43	-1.0	-47.75	352.59	7.73	-40.02
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300008035072	0	43	-1.0	-50.91	356.03	8.45	-42.46
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C=NN1C(C)C	REAL300008035073	0	45	-1.0	-47.27	364.98	7.18	-40.09
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C(C(F)F)=C1	REAL300008035074	0	43	-1.0	-56.51	359.95	8.20	-48.31
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C2=NC=CC=C12	REAL300008035075	0	44	-1.0	-60.31	362.89	8.75	-51.56
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CNC3=CC=CC=C32)C1	REAL300008035076	0	40	-1.0	-58.43	337.95	7.45	-50.98
O=C([O-])C1CC2=CC=CC=C2N(S(=O)(=O)C2=CN=CS2)C1	REAL300008035077	0	32	-1.0	-50.20	288.79	4.59	-45.61
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300008035078	0	49	-1.0	-54.78	393.20	9.54	-45.24
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008035079	0	41	-1.0	-63.52	340.47	6.71	-56.81
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=CC(F)=C1)C(=O)[O-]	REAL300008035080	0	41	-1.0	-42.57	338.16	6.40	-36.17
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=CS1)C(=O)[O-]	REAL300008035081	0	38	-1.0	-48.66	325.57	5.59	-43.07
CC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])S1	REAL300008035082	0	41	-1.0	-44.36	347.30	6.27	-38.09
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300008035083	0	38	-1.0	-41.70	340.73	6.05	-35.65
CN1C=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=N1	REAL300008035084	0	41	-1.0	-45.89	337.43	3.99	-41.90
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035085	0	47	-1.0	-49.74	365.55	5.18	-44.56
CCC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300008035086	0	47	-1.0	-49.31	379.66	7.91	-41.40
CC1=CC(F)=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035087	0	44	-1.0	-46.97	360.06	7.21	-39.76
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCC1CC1)C(=O)[O-]	REAL300008035088	0	44	-1.0	-41.99	348.38	6.42	-35.57
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1=NOC=C1)C(=O)[O-]	REAL300008035089	0	40	-1.0	-48.81	330.19	4.37	-44.44
CC1=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=NN1C	REAL300008035090	0	44	-1.0	-65.06	357.36	5.09	-59.97
CC(C)N1C=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=N1	REAL300008035091	0	47	-1.0	-46.63	377.65	5.37	-41.26
CC(C)N1C=NC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035092	0	47	-1.0	-51.57	379.56	7.21	-44.36
CC(C)C1=NC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=CN1	REAL300008035093	0	47	-1.0	-51.01	379.82	5.41	-45.60
CC1=C(F)C=CC=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035094	0	44	-1.0	-57.92	356.96	7.74	-50.18
COCCC(C)S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035095	0	47	-1.0	-52.74	364.61	4.83	-47.91
CCC(C)CS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035096	0	46	-1.0	-41.75	351.19	6.26	-35.49
CCCN1C=NC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035097	0	47	-1.0	-51.53	381.42	7.59	-43.94
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	REAL300008035098	0	48	-1.0	-45.23	382.73	5.70	-39.53
CCOCC(C)CS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035099	0	50	-1.0	-41.05	387.75	5.68	-35.37
CCC1=CC=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035100	0	47	-1.0	-44.48	374.66	7.76	-36.72
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300008035101	0	44	-1.0	-43.24	366.91	6.96	-36.28
CC1=NOC(CS(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035102	0	43	-1.0	-43.87	354.58	5.34	-38.53
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCC1CCCO1)C(=O)[O-]	REAL300008035103	0	48	-1.0	-46.44	373.20	5.18	-41.26
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300008035104	0	53	-1.0	-42.45	381.56	7.95	-34.50
CN1N=NC=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035105	0	40	-1.0	-47.46	329.15	2.85	-44.61
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCC1CCC1)C(=O)[O-]	REAL300008035106	0	47	-1.0	-41.89	365.26	6.94	-34.95
COCC1(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])CC1	REAL300008035107	0	45	-1.0	-63.78	355.79	5.73	-58.05
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300008035108	0	51	-1.0	-44.13	382.75	7.85	-36.28
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCC1CCOC1)C(=O)[O-]	REAL300008035109	0	48	-1.0	-42.36	370.76	4.88	-37.48
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300008035110	0	48	-1.0	-50.31	385.77	8.60	-41.71
CN1C=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=N1	REAL300008035111	0	41	-1.0	-50.93	340.97	4.30	-46.63
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008035112	0	41	-1.0	-47.51	353.46	6.99	-40.52
COC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300008035113	0	45	-1.0	-49.87	366.16	5.76	-44.11
CC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300008035114	0	44	-1.0	-44.91	353.37	6.99	-37.92
CCS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035115	0	37	-1.0	-41.80	295.30	4.05	-37.75
CC1=CC=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035116	0	44	-1.0	-44.72	353.16	7.00	-37.72
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C=CC1=CC=CC=C1)C(=O)[O-]	REAL300008035117	0	45	-1.0	-48.09	369.08	7.79	-40.30
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008035118	0	41	-1.0	-42.07	348.48	6.83	-35.24
CC1=CC=C(C)C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035119	0	47	-1.0	-45.92	374.00	7.89	-38.03
CC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=C1C	REAL300008035120	0	47	-1.0	-50.92	370.74	7.52	-43.40
CC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C(C)=C1	REAL300008035121	0	47	-1.0	-46.12	370.98	7.89	-38.23
CCCCS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035122	0	43	-1.0	-41.71	338.30	5.64	-36.07
COC1=CC=CC=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035123	0	45	-1.0	-47.25	365.38	6.52	-40.73
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1=CC=CC=C1)C(=O)[O-]	REAL300008035124	0	44	-1.0	-44.88	355.54	7.17	-37.71
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300008035125	0	48	-1.0	-48.94	377.78	8.38	-40.56
CC1=NOC(C)=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035126	0	43	-1.0	-50.84	348.32	5.85	-44.99
CC1=CC=C(F)C=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035127	0	44	-1.0	-46.15	357.44	7.38	-38.77
COC1=CC=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035128	0	45	-1.0	-51.46	361.72	5.77	-45.69
CCC1=CC=CC=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035129	0	47	-1.0	-62.78	367.50	8.68	-54.10
CC1=CC=CC=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035130	0	44	-1.0	-45.25	349.58	7.22	-38.03
CC1=NC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=CN1C	REAL300008035131	0	44	-1.0	-53.10	357.56	5.69	-47.41
CC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=C1F	REAL300008035132	0	44	-1.0	-65.39	367.18	7.42	-57.97
CN1C=NC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035133	0	41	-1.0	-52.43	340.07	6.09	-46.34
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=CN=C1)C(=O)[O-]	REAL300008035134	0	40	-1.0	-48.10	328.55	4.63	-43.47
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1CC1)C(=O)[O-]	REAL300008035135	0	38	-1.0	-49.30	305.80	4.83	-44.47
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300008035136	0	44	-1.0	-47.41	360.49	7.12	-40.29
CC1=NC(C)=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])S1	REAL300008035137	0	43	-1.0	-45.44	358.37	4.81	-40.63
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1CCCC1)C(=O)[O-]	REAL300008035138	0	47	-1.0	-42.16	358.73	6.81	-35.35
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CSC=C1)C(=O)[O-]	REAL300008035139	0	38	-1.0	-48.46	323.60	5.42	-43.04
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300008035140	0	44	-1.0	-60.49	362.26	5.44	-55.05
CC1=CC=CC(CS(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035141	0	47	-1.0	-46.35	379.07	7.85	-38.50
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300008035142	0	44	-1.0	-44.06	361.60	7.15	-36.91
CC1=CC=CC=C1CS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035143	0	47	-1.0	-44.94	371.21	7.66	-37.28
CCCCCCCS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035144	0	52	-1.0	-41.61	402.81	7.98	-33.63
CCN1C=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])N=C1C	REAL300008035145	0	47	-1.0	-56.04	378.47	6.17	-49.87
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1CCCO1)C(=O)[O-]	REAL300008035146	0	45	-1.0	-45.06	353.75	4.64	-40.42
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1CCCCO1)C(=O)[O-]	REAL300008035147	0	48	-1.0	-44.03	369.90	5.30	-38.73
CCN1C=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=N1	REAL300008035148	0	44	-1.0	-46.50	358.96	4.85	-41.65
CN1N=CC=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035149	0	41	-1.0	-50.49	337.91	4.25	-46.24
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1CCOC1)C(=O)[O-]	REAL300008035150	0	45	-1.0	-44.19	350.31	4.38	-39.81
CCCCCS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035151	0	46	-1.0	-41.69	359.80	6.42	-35.27
CC1=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C(C)O1	REAL300008035152	0	44	-1.0	-61.30	358.95	6.47	-54.83
CC1=CSC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035153	0	41	-1.0	-47.99	347.13	6.27	-41.72
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008035154	0	44	-1.0	-48.34	363.92	6.95	-41.39
CC(CN1C=NC2=CC=CC=C21)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008035154	1	43	-2.0	-125.32	369.31	6.77	-118.55
COC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=N1	REAL300008035155	0	44	-1.0	-47.77	364.27	3.06	-44.71
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=CO1)C(=O)[O-]	REAL300008035156	0	38	-1.0	-47.33	316.98	4.54	-42.79
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300008035157	0	45	-1.0	-58.23	361.28	6.82	-51.41
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=COC=C1)C(=O)[O-]	REAL300008035158	0	38	-1.0	-50.13	315.99	4.49	-45.64
CC1=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])SC=C1	REAL300008035159	0	41	-1.0	-62.56	344.88	6.61	-55.95
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CNC=N1)C(=O)[O-]	REAL300008035160	0	38	-1.0	-48.36	314.75	3.75	-44.61
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCCF)C(=O)[O-]	REAL300008035161	0	40	-1.0	-39.98	323.40	4.99	-34.99
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCCCF)C(=O)[O-]	REAL300008035162	0	43	-1.0	-42.67	344.90	5.77	-36.90
CC1=NN(C)C=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035163	0	44	-1.0	-58.82	359.92	5.19	-53.63
CC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])O1	REAL300008035164	0	41	-1.0	-47.42	338.82	5.38	-42.04
CC1=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])N(C)N=C1	REAL300008035165	0	44	-1.0	-55.37	351.46	5.01	-50.36
C=C(C)CS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035166	0	41	-1.0	-42.63	329.58	5.30	-37.33
COC1=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])SC=C1	REAL300008035167	0	42	-1.0	-68.25	354.51	5.08	-63.17
C=CCCCS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035168	0	44	-1.0	-41.62	351.11	6.20	-35.42
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1CCC1)C(=O)[O-]	REAL300008035169	0	44	-1.0	-42.09	343.82	6.25	-35.84
COC1=CN=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035170	0	44	-1.0	-47.84	356.83	3.86	-43.98
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300008035171	0	48	-1.0	-49.21	385.99	8.58	-40.63
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300008035172	0	53	-1.0	-42.03	397.71	8.07	-33.96
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300008035173	0	44	-1.0	-50.44	366.60	6.85	-43.59
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCC1CCCC1)C(=O)[O-]	REAL300008035174	0	50	-1.0	-41.90	381.36	7.54	-34.36
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1(C)CC1)C(=O)[O-]	REAL300008035175	0	41	-1.0	-63.16	322.30	5.87	-57.29
CC1=C(C)SC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035176	0	44	-1.0	-45.23	366.46	6.87	-38.36
CC1=NC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])S1	REAL300008035177	0	40	-1.0	-47.57	342.38	4.46	-43.11
CCC1=NC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])S1	REAL300008035178	0	43	-1.0	-46.88	364.06	5.21	-41.67
CC1=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C(N)=NO1	REAL300008035179	0	42	-1.0	-44.72	337.66	3.44	-41.28
CC1=C(S(=O)(=O)[N-]C(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C(N)=NO1	REAL300008035179	1	41	-2.0	-112.05	346.00	3.80	-108.25
CC1=CC(C)=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])S1	REAL300008035180	0	44	-1.0	-60.33	365.06	7.34	-52.99
CC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=N1	REAL300008035181	0	43	-1.0	-64.16	357.00	5.46	-58.70
COC(CS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-])C1CC1	REAL300008035182	0	48	-1.0	-43.56	375.54	5.59	-37.97
CCC1(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])CC1	REAL300008035183	0	44	-1.0	-65.98	343.47	7.01	-58.97
CCOC(CS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-])C1CC1	REAL300008035184	0	51	-1.0	-43.71	395.46	6.82	-36.89
CCC1=NN(C)C=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035185	0	47	-1.0	-58.41	378.09	5.91	-52.50
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCCC1CC1)C(=O)[O-]	REAL300008035186	0	47	-1.0	-41.57	370.13	7.21	-34.36
COC1=NC=CC=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035187	0	44	-1.0	-59.36	361.60	3.98	-55.38
CC1=NC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])N1C	REAL300008035188	0	44	-1.0	-53.18	354.91	5.32	-47.86
CC1=CSC(C)=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035189	0	44	-1.0	-56.35	357.23	7.49	-48.86
CCN1N=NC=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035190	0	43	-1.0	-44.48	346.15	3.34	-41.14
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300008035191	0	44	-1.0	-57.96	366.37	7.24	-50.72
CC1=CC=CC(C)=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035192	0	47	-1.0	-47.29	361.11	7.97	-39.32
CC1=NN(C)C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035193	0	44	-1.0	-51.81	360.49	4.69	-47.12
CC1=CC=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1C	REAL300008035194	0	47	-1.0	-62.85	368.72	8.26	-54.59
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300008035195	0	48	-1.0	-49.72	381.50	8.58	-41.14
COC1=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C=CS1	REAL300008035196	0	42	-1.0	-61.98	358.64	5.32	-56.66
CCC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])O1	REAL300008035197	0	44	-1.0	-46.73	362.77	6.34	-40.39
COC1=CC=C(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])S1	REAL300008035198	0	42	-1.0	-44.19	357.15	4.91	-39.28
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300008035199	0	44	-1.0	-45.90	365.68	4.99	-40.91
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300008035200	0	44	-1.0	-46.19	356.48	7.11	-39.08
CC1=CN=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035201	0	43	-1.0	-47.53	348.72	5.24	-42.29
CCOCCCS(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035202	0	47	-1.0	-41.48	372.33	4.89	-36.59
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300008035203	0	44	-1.0	-62.63	361.24	7.01	-55.62
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300008035204	0	49	-1.0	-45.82	388.72	3.65	-42.17
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1COCCO1)C(=O)[O-]	REAL300008035205	0	46	-1.0	-43.99	361.97	3.95	-40.04
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300008035206	0	51	-1.0	-44.04	391.47	5.80	-38.24
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300008035207	0	51	-1.0	-43.30	404.39	8.76	-34.54
COCCC1(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])CC1	REAL300008035208	0	48	-1.0	-65.54	373.75	5.81	-59.73
CCN1N=CC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=N1	REAL300008035209	0	43	-1.0	-47.61	357.38	3.65	-43.96
CCN1N=CC(S(=O)(=O)[N-]C(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=N1	REAL300008035209	1	42	-2.0	-120.60	360.73	3.38	-117.22
CC1=COC(S(=O)(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=C1	REAL300008035210	0	41	-1.0	-46.90	340.98	5.39	-41.51
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300008035211	0	38	-1.0	-43.89	335.94	5.04	-38.85
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300008035212	0	38	-1.0	-46.08	342.38	6.11	-39.97
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300008035213	0	48	-1.0	-63.31	378.84	9.16	-54.15
CC(C)N1N=CC=C1S(=O)(=O)NC(C)(CN1C=NC2=CC=CC=C21)C(=O)[O-]	REAL300008035214	0	47	-1.0	-50.96	380.26	5.82	-45.14
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300008035215	0	45	-1.0	-48.01	372.54	6.48	-41.53
CC(CN1C=NC2=CC=CC=C21)(NS(=O)(=O)C1=CN=CS1)C(=O)[O-]	REAL300008035216	0	37	-1.0	-48.15	320.05	3.74	-44.41
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300008035217	0	32	-1.0	-49.32	301.28	3.51	-45.81
CC(=O)C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035218	0	37	-1.0	-57.87	336.12	3.85	-54.02
CCCCN(C)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035219	0	39	-1.0	-51.01	334.94	3.02	-47.99
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CS1	REAL300008035220	0	29	-1.0	-52.77	287.85	2.47	-50.30
CCC(C)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035221	0	44	-1.0	-46.58	374.25	5.78	-40.80
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])S1	REAL300008035222	0	32	-1.0	-46.87	311.29	3.05	-43.82
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300008035223	0	29	-1.0	-43.36	306.45	2.87	-40.49
COC1=CC=C(C)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035224	0	39	-1.0	-59.26	343.26	4.30	-54.96
CC1=CC=C(Br)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035225	0	35	-1.0	-53.47	327.62	5.02	-48.45
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008035226	0	36	-1.0	-46.69	324.18	3.63	-43.06
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCOCC1	REAL300008035227	0	35	-1.0	-40.84	292.09	-0.37	-41.21
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035228	0	38	-1.0	-55.43	356.26	0.71	-54.72
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008035229	0	36	-1.0	-47.95	341.09	3.22	-44.73
COC1=CC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1OC	REAL300008035230	0	43	-1.0	-50.90	362.06	3.17	-47.73
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035231	0	35	-1.0	-43.08	326.21	4.58	-38.50
CN(C1CCCCC1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035232	0	43	-1.0	-44.38	349.22	3.58	-40.80
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035233	0	38	-1.0	-49.65	330.31	2.42	-47.23
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008035234	0	48	-1.0	-46.43	397.43	7.01	-39.42
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008035235	0	38	-1.0	-49.56	342.32	2.39	-47.17
CCC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035236	0	38	-1.0	-47.32	340.72	4.66	-42.66
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300008035237	0	32	-1.0	-45.55	313.03	4.01	-41.54
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008035238	0	32	-1.0	-49.56	316.41	4.04	-45.52
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035239	0	37	-1.0	-50.50	330.56	5.52	-44.98
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008035240	0	38	-1.0	-51.02	355.50	5.48	-45.54
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035241	0	42	-1.0	-48.99	379.68	-0.27	-49.26
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035242	0	43	-1.0	-46.16	380.30	5.05	-41.11
CC1=CC(F)=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035243	0	35	-1.0	-52.90	322.79	4.17	-48.73
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008035244	0	38	-1.0	-47.89	340.15	3.66	-44.23
COCC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035245	0	39	-1.0	-46.36	350.64	2.92	-43.44
CCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035246	0	38	-1.0	-47.66	343.97	1.05	-46.61
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035247	0	41	-1.0	-57.39	380.60	1.39	-56.00
CS(=O)(=O)CCCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035248	0	37	-1.0	-52.33	345.39	-0.81	-53.14
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1C	REAL300008035249	0	42	-1.0	-54.01	343.26	4.22	-49.79
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008035250	0	35	-1.0	-43.65	341.45	4.52	-39.13
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008035251	0	37	-1.0	-54.37	335.69	3.82	-50.55
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=NOC=C1	REAL300008035252	0	31	-1.0	-51.23	295.14	1.18	-50.05
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=NN1C	REAL300008035253	0	35	-1.0	-54.75	303.70	1.48	-53.27
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])CC1	REAL300008035254	0	42	-1.0	-55.25	367.90	-0.89	-56.14
CN(C1CCOCC1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035255	0	41	-1.0	-39.37	308.65	1.97	-37.40
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CC2CCC1C2	REAL300008035256	0	38	-1.0	-46.98	319.86	2.87	-44.11
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008035257	0	41	-1.0	-55.91	356.61	4.66	-51.25
CCN1N=C(C)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1C	REAL300008035258	0	41	-1.0	-49.72	352.39	3.27	-46.45
CC(C)N1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035259	0	38	-1.0	-50.02	340.96	2.52	-47.50
CC(C)CN1C=NC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035260	0	41	-1.0	-54.77	362.37	4.20	-50.57
CC(C)N1C=NC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035261	0	38	-1.0	-60.66	341.75	3.82	-56.84
CC(C)C1=NC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CN1	REAL300008035262	0	38	-1.0	-54.22	339.37	1.61	-52.61
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035263	0	44	-1.0	-56.09	339.94	6.38	-49.71
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035264	0	40	-1.0	-56.09	364.28	2.65	-53.44
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CCCOC1	REAL300008035265	0	39	-1.0	-42.96	326.86	1.87	-41.09
COC1=CC(Cl)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1OC	REAL300008035266	0	40	-1.0	-52.36	360.80	3.22	-49.14
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1Br	REAL300008035267	0	35	-1.0	-45.92	335.07	4.39	-41.53
CC1=C(F)C=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035268	0	35	-1.0	-52.57	304.75	4.24	-48.33
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008035269	0	38	-1.0	-46.43	352.94	6.05	-40.38
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008035270	0	36	-1.0	-46.22	341.04	2.84	-43.38
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008035271	0	39	-1.0	-47.88	361.18	4.69	-43.19
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035272	0	47	-1.0	-50.43	395.93	4.75	-45.68
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008035273	0	35	-1.0	-46.03	332.00	4.15	-41.88
COCC1=CC=C(OC)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035274	0	43	-1.0	-60.09	375.68	3.62	-56.47
COCCC(C)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035275	0	38	-1.0	-41.19	323.03	2.12	-39.07
COC1=CC=C(F)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035276	0	36	-1.0	-58.28	328.23	3.71	-54.57
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035277	0	43	-1.0	-45.02	361.70	4.16	-40.86
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008035278	0	50	-1.0	-50.89	377.67	4.91	-45.98
CC1=NC2=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=CC=C2C=C1	REAL300008035279	0	40	-1.0	-53.74	342.45	4.83	-48.91
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008035280	0	40	-1.0	-64.00	358.45	5.38	-58.62
CCN(CC1CC1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035281	0	40	-1.0	-43.50	341.04	3.55	-39.95
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008035282	0	43	-1.0	-52.52	367.52	1.76	-50.76
CCCN1C=NC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035283	0	38	-1.0	-54.80	345.15	3.99	-50.81
COCCOCCOCCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035284	0	46	-1.0	-54.26	402.25	0.77	-53.49
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCOCC1CC1	REAL300008035285	0	39	-1.0	-50.70	344.80	2.76	-47.94
CC(COC1CCCC1)CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035286	0	48	-1.0	-52.94	394.09	4.86	-48.08
COCC(C)CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035287	0	38	-1.0	-52.19	327.54	1.80	-50.39
CCOCC(C)CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035288	0	41	-1.0	-52.67	349.64	2.75	-49.92
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035289	0	39	-1.0	-49.90	362.02	3.67	-46.23
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008035290	0	40	-1.0	-51.78	345.02	0.75	-51.03
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008035291	0	36	-1.0	-41.66	321.36	3.55	-38.11
COC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008035292	0	38	-1.0	-43.90	351.09	3.94	-39.96
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035293	0	38	-1.0	-42.49	348.57	5.09	-37.40
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035294	0	38	-1.0	-53.56	345.73	5.43	-48.13
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300008035295	0	38	-1.0	-43.71	352.26	4.74	-38.97
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035296	0	41	-1.0	-57.36	337.94	5.49	-51.87
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCCN1CCOCC1	REAL300008035297	0	44	-1.0	-44.02	368.94	0.15	-43.87
CCOC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035298	0	39	-1.0	-52.79	346.46	3.65	-49.14
COCCN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035299	0	39	-1.0	-52.48	356.01	1.03	-51.45
CC(C)(C)CCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035300	0	40	-1.0	-52.32	334.34	3.65	-48.67
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008035301	0	39	-1.0	-48.68	359.92	3.73	-44.95
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008035302	0	40	-1.0	-53.54	367.24	5.62	-47.92
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008035303	0	37	-1.0	-53.87	336.03	3.79	-50.08
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008035304	0	35	-1.0	-45.37	340.31	4.50	-40.87
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008035305	0	35	-1.0	-47.74	336.94	4.45	-43.29
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008035306	0	39	-1.0	-58.16	360.18	1.07	-57.09
CC1CCN(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C1	REAL300008035307	0	37	-1.0	-45.57	322.16	2.19	-43.38
CC1=CC(Br)=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035308	0	35	-1.0	-51.63	337.44	4.73	-46.90
CC1=C(Br)C=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035309	0	35	-1.0	-52.44	317.56	4.73	-47.71
COCC1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035310	0	39	-1.0	-50.51	325.89	3.60	-46.91
COC1=CC(OC)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1Cl	REAL300008035311	0	40	-1.0	-46.56	367.62	3.17	-43.39
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008035312	0	35	-1.0	-50.24	340.12	2.50	-47.74
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008035313	0	35	-1.0	-54.96	334.19	2.31	-52.65
CC1(C)CC2=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=CC=C2O1	REAL300008035314	0	43	-1.0	-51.99	372.58	4.68	-47.31
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008035315	0	35	-1.0	-48.67	336.43	2.55	-46.12
CSC1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035316	0	36	-1.0	-58.22	329.95	4.05	-54.17
CCC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035317	0	38	-1.0	-53.05	337.76	4.88	-48.17
CCC1=CC=C(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035318	0	41	-1.0	-46.88	363.05	5.33	-41.55
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1=CC=CS1	REAL300008035319	0	35	-1.0	-45.04	330.74	3.77	-41.27
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035320	0	41	-1.0	-54.52	377.74	1.62	-52.90
CC1=CC=C(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C	REAL300008035321	0	41	-1.0	-47.92	358.58	5.10	-42.82
CC(C)CN(C)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035322	0	39	-1.0	-42.06	334.15	3.07	-38.99
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008035323	0	36	-1.0	-41.82	331.68	3.99	-37.83
CN(C1CCCC1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035324	0	40	-1.0	-43.31	326.81	2.89	-40.42
CC1(C)CN(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])CCO1	REAL300008035325	0	41	-1.0	-45.28	343.76	1.46	-43.82
CC1=NOC(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035326	0	34	-1.0	-44.23	317.09	2.05	-42.18
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=CC=C21	REAL300008035327	0	44	-1.0	-51.86	385.38	4.98	-46.88
CCS(=O)(=O)NCCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035328	0	39	-1.0	-56.30	357.61	-1.80	-58.10
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008035329	0	38	-1.0	-52.70	350.33	4.75	-47.95
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008035330	0	35	-1.0	-46.34	353.13	5.19	-41.15
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008035331	0	38	-1.0	-48.23	365.41	6.11	-42.12
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008035332	0	35	-1.0	-55.78	340.25	5.12	-50.66
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008035333	0	38	-1.0	-50.93	355.20	6.14	-44.79
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1CCCO1	REAL300008035334	0	39	-1.0	-48.45	337.03	1.98	-46.47
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008035335	0	38	-1.0	-45.36	356.55	4.97	-40.39
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008035336	0	43	-1.0	-54.01	374.91	4.80	-49.21
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008035337	0	41	-1.0	-50.32	368.92	6.24	-44.08
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1N(C)C	REAL300008035338	0	43	-1.0	-47.26	370.18	3.85	-43.41
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008035339	0	37	-1.0	-57.18	326.75	0.47	-56.71
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCOCC1CCCC1	REAL300008035340	0	45	-1.0	-50.05	378.26	3.94	-46.11
COC1=CC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1Cl	REAL300008035341	0	39	-1.0	-48.57	349.71	3.83	-44.74
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035342	0	41	-1.0	-55.63	380.86	1.41	-54.22
CSC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1Cl	REAL300008035343	0	36	-1.0	-45.25	353.04	4.70	-40.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035344	0	44	-1.0	-48.15	370.08	3.67	-44.48
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008035345	0	40	-1.0	-45.67	366.72	1.79	-43.88
CCC1=NOC2=NC=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=C12	REAL300008035346	0	39	-1.0	-49.01	359.07	0.94	-48.07
CN1N=CC2=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=CN=C21	REAL300008035347	0	37	-1.0	-47.68	342.19	2.36	-45.32
CCC1=CC(CC)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(CC)=C1	REAL300008035348	0	50	-1.0	-44.94	392.69	7.65	-37.29
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008035349	0	39	-1.0	-58.76	343.62	3.28	-55.48
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008035350	0	38	-1.0	-47.60	363.77	1.51	-46.09
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008035351	0	41	-1.0	-64.81	349.04	7.17	-57.64
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1F	REAL300008035352	0	39	-1.0	-49.73	334.32	4.23	-45.50
CC1(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])CCCCC1	REAL300008035353	0	44	-1.0	-44.65	346.14	4.68	-39.97
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008035354	0	41	-1.0	-53.55	339.57	4.39	-49.16
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035355	0	50	0.0	-74.58	410.31	4.56	-70.02
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008035356	0	40	-1.0	-48.90	364.70	4.66	-44.24
CN1N=NC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035357	0	31	-1.0	-44.69	291.18	-0.32	-45.01
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035358	0	39	-1.0	-52.52	366.77	3.65	-48.87
CC1=CC=C(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(F)=C1	REAL300008035359	0	38	-1.0	-49.80	343.54	4.57	-45.23
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035360	0	44	0.0	-62.63	374.01	5.11	-57.52
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008035361	0	32	-1.0	-43.00	330.05	3.44	-39.56
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008035362	0	45	-1.0	-53.32	382.52	6.73	-46.59
CC(C)(C)C1=CC(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=NO1	REAL300008035363	0	43	-1.0	-49.73	378.29	3.92	-45.81
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1CCC1	REAL300008035364	0	38	-1.0	-51.96	327.09	4.03	-47.93
CC(C)(C)CCCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035365	0	43	-1.0	-43.33	357.34	4.12	-39.21
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008035366	0	41	-1.0	-51.97	357.54	0.37	-51.60
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008035367	0	35	-1.0	-48.23	331.75	3.67	-44.56
O=C([O-])C(CN1C=CC=N1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008035367	1	34	-2.0	-129.47	331.57	3.37	-126.10
CC1=C(CCS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])SC=N1	REAL300008035368	0	37	-1.0	-45.51	344.49	2.42	-43.09
COCC1(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])CC1	REAL300008035369	0	36	-1.0	-45.14	319.49	2.50	-42.64
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC12CCC(CC1)C2	REAL300008035370	0	42	-1.0	-44.54	341.52	4.54	-40.00
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CC(F)(F)C1	REAL300008035371	0	35	-1.0	-52.17	318.82	3.44	-48.73
COC1=CC=C2C=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])CCC2=C1	REAL300008035372	0	44	-1.0	-52.62	373.45	4.96	-47.66
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC12CCC(CC1)CC2	REAL300008035373	0	45	-1.0	-44.54	350.49	5.15	-39.39
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1CCOC1	REAL300008035374	0	39	-1.0	-53.10	333.05	1.96	-51.14
CC(C)(CCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-])S(C)(=O)=O	REAL300008035375	0	43	-1.0	-60.81	362.62	0.61	-60.20
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CCCCC1(F)F	REAL300008035376	0	41	-1.0	-51.36	345.96	4.67	-46.69
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008035377	0	39	-1.0	-52.65	343.55	5.64	-47.01
CCC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008035378	0	40	-1.0	-44.51	357.96	5.05	-39.46
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008035379	0	32	-1.0	-42.71	312.29	3.71	-39.00
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008035380	0	32	-1.0	-42.73	316.85	3.81	-38.92
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008035381	0	34	-1.0	-41.55	323.80	3.86	-37.69
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008035382	0	38	-1.0	-54.41	340.94	5.69	-48.72
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008035383	0	34	-1.0	-49.01	323.33	4.09	-44.92
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035384	0	37	-1.0	-56.40	333.62	5.12	-51.28
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035385	0	36	-1.0	-46.95	327.32	2.52	-44.43
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008035386	0	34	-1.0	-51.03	311.05	4.65	-46.38
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035387	0	35	-1.0	-47.10	318.89	3.92	-43.18
CCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035388	0	39	-1.0	-45.85	346.92	3.41	-42.44
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1C	REAL300008035389	0	44	-1.0	-53.09	355.25	6.11	-46.98
CC1=CC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1	REAL300008035390	0	41	-1.0	-46.52	345.70	5.50	-41.02
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035391	0	47	-1.0	-55.25	381.54	6.77	-48.48
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008035392	0	35	-1.0	-49.15	332.53	4.37	-44.78
CC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035393	0	35	-1.0	-53.48	316.52	4.09	-49.39
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C=CC1=CC=CC=C1	REAL300008035394	0	36	-1.0	-52.83	328.56	4.64	-48.19
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008035395	0	35	-1.0	-46.84	318.04	4.59	-42.25
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008035396	0	32	-1.0	-49.64	311.84	3.93	-45.71
CC(=O)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035397	0	37	-1.0	-46.89	339.07	3.64	-43.25
CC1=CC=C(C)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035398	0	38	-1.0	-54.72	328.09	5.09	-49.63
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C	REAL300008035399	0	38	-1.0	-47.62	333.99	4.40	-43.22
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1	REAL300008035400	0	38	-1.0	-46.73	330.91	4.73	-42.00
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008035401	0	38	-1.0	-46.14	353.34	3.97	-42.17
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035402	0	44	-1.0	-47.85	374.03	5.54	-42.31
CC(C)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035403	0	41	-1.0	-47.56	358.05	5.15	-42.41
CCCC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035404	0	41	-1.0	-47.15	362.21	5.44	-41.71
COC1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035405	0	36	-1.0	-46.91	308.08	3.33	-43.58
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC=C1	REAL300008035406	0	35	-1.0	-46.52	319.01	3.89	-42.63
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC=C1Br	REAL300008035407	0	35	-1.0	-49.44	334.61	4.62	-44.82
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008035408	0	36	-1.0	-42.85	341.55	2.98	-39.87
CC1=C(C)C(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1C	REAL300008035409	0	47	-1.0	-49.17	371.87	6.34	-42.83
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008035410	0	41	-1.0	-45.73	358.39	3.15	-42.58
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035411	0	48	-1.0	-59.15	395.68	6.09	-53.06
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008035412	0	37	-1.0	-51.38	342.04	4.42	-46.96
CC1=NNC(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035413	0	35	-1.0	-48.03	309.15	1.15	-46.88
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035414	0	50	-1.0	-46.26	398.03	7.07	-39.19
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008035415	0	35	-1.0	-43.15	336.58	4.23	-38.92
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008035416	0	42	-1.0	-54.40	357.84	5.92	-48.48
COC1=CC=C(OC)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035417	0	40	-1.0	-60.83	349.95	3.20	-57.63
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1OC	REAL300008035418	0	40	-1.0	-48.55	356.56	2.44	-46.11
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008035419	0	39	-1.0	-54.05	340.41	5.35	-48.70
CC1=NOC(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035420	0	34	-1.0	-44.12	310.95	2.19	-41.93
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008035421	0	40	-1.0	-53.45	341.70	5.62	-47.83
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008035422	0	37	-1.0	-52.62	330.82	3.31	-49.31
CC(C)CCC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035423	0	47	-1.0	-46.95	401.28	6.73	-40.22
CCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1OCC	REAL300008035424	0	46	-1.0	-47.83	398.01	4.24	-43.59
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035425	0	37	-1.0	-51.17	349.75	-1.85	-53.02
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008035426	0	40	-1.0	-56.00	358.32	5.26	-50.74
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1C	REAL300008035427	0	40	-1.0	-46.18	355.45	5.28	-40.90
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCCCCC1	REAL300008035428	0	40	-1.0	-44.35	329.18	3.31	-41.04
CC1=CC2=CC=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=C2N=C1	REAL300008035429	0	40	-1.0	-65.23	350.02	5.33	-59.90
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008035430	0	38	-1.0	-50.08	340.68	3.94	-46.14
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035431	0	36	-1.0	-53.77	339.00	4.20	-49.57
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035432	0	37	-1.0	-51.28	349.76	-1.84	-53.12
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035433	0	40	-1.0	-54.01	360.47	4.94	-49.07
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCCCC1	REAL300008035434	0	37	-1.0	-37.55	277.80	2.89	-34.66
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008035435	0	41	-1.0	-46.24	354.08	4.56	-41.68
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=CC=CN=C12	REAL300008035436	0	40	-1.0	-56.97	339.60	4.75	-52.22
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C	REAL300008035437	0	40	-1.0	-57.90	338.84	6.21	-51.69
CC1CCN(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])CC1	REAL300008035438	0	40	-1.0	-44.02	335.99	3.11	-40.91
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008035439	0	44	-1.0	-64.65	382.22	2.76	-61.89
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035440	0	38	-1.0	-56.34	358.53	0.75	-55.59
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008035441	0	42	-1.0	-54.59	359.14	7.53	-47.06
CC1CC(C)CN(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C1	REAL300008035442	0	43	-1.0	-44.38	329.54	4.13	-40.25
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008035443	0	38	-1.0	-60.36	324.38	5.80	-54.56
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008035444	0	42	-1.0	-49.46	372.02	6.64	-42.82
CC1=CC=C(F)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035445	0	35	-1.0	-54.70	311.64	4.74	-49.96
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=CC=C12	REAL300008035446	0	46	-1.0	-57.26	377.83	5.65	-51.61
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008035447	0	33	-1.0	-60.63	313.92	1.98	-58.65
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035448	0	36	-1.0	-56.75	337.34	4.42	-52.33
COC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035449	0	36	-1.0	-53.07	324.58	2.74	-50.33
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035450	0	47	-1.0	-48.00	388.26	6.01	-41.99
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1Cl	REAL300008035451	0	35	-1.0	-45.87	331.04	4.30	-41.57
CC(C)OC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035452	0	42	-1.0	-46.39	364.82	4.04	-42.35
CCC1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035453	0	38	-1.0	-46.04	326.43	4.93	-41.11
CC1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035454	0	35	-1.0	-46.18	310.05	4.06	-42.12
CC1=NC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CN1C	REAL300008035455	0	35	-1.0	-56.93	319.46	2.33	-54.60
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008035456	0	35	-1.0	-45.48	335.75	4.40	-41.08
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008035457	0	33	-1.0	-54.53	301.72	2.27	-52.26
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008035458	0	37	-1.0	-65.17	328.62	4.70	-60.47
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035459	0	38	-1.0	-50.72	350.24	4.35	-46.37
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1F	REAL300008035460	0	36	-1.0	-45.70	333.54	2.60	-43.10
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1F	REAL300008035461	0	35	-1.0	-46.80	322.29	3.91	-42.89
CC1=CC=C(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035462	0	38	-1.0	-47.21	341.57	4.57	-42.64
CC1CCCCN1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035463	0	40	-1.0	-51.42	317.55	3.44	-47.98
CCCN(CCC)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035464	0	42	-1.0	-43.77	351.59	3.51	-40.26
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008035465	0	35	-1.0	-43.38	352.08	4.86	-38.52
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=CC=CC=C12	REAL300008035466	0	42	-1.0	-50.30	366.90	4.97	-45.33
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035467	0	37	-1.0	-41.85	337.73	4.73	-37.12
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035468	0	37	-1.0	-53.52	326.98	4.52	-49.00
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035469	0	40	-1.0	-45.83	354.99	5.61	-40.22
CC(C)CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035470	0	44	-1.0	-47.18	379.04	5.91	-41.27
COCCC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035471	0	42	-1.0	-46.08	372.13	3.70	-42.38
COCCN(CCOC)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035472	0	44	-1.0	-43.55	367.63	0.63	-42.92
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035473	0	35	-1.0	-53.63	323.10	4.92	-48.71
COC1=C(C)C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C	REAL300008035474	0	42	-1.0	-51.43	368.47	4.33	-47.10
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035475	0	48	-1.0	-45.47	407.47	5.52	-39.95
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008035476	0	46	-1.0	-47.01	389.61	5.38	-41.63
CC(C)COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035477	0	45	-1.0	-46.84	390.77	4.93	-41.91
CCCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035478	0	42	-1.0	-45.60	368.40	4.21	-41.39
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1Cl	REAL300008035479	0	36	-1.0	-45.39	343.35	3.09	-42.30
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008035480	0	36	-1.0	-47.27	353.10	3.36	-43.91
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C	REAL300008035481	0	39	-1.0	-46.62	345.13	3.24	-43.38
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC=C1OC(C)C	REAL300008035482	0	45	-1.0	-47.17	384.91	4.78	-42.39
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1	REAL300008035483	0	39	-1.0	-46.73	338.95	3.37	-43.36
COCCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035484	0	43	-1.0	-48.27	382.80	2.72	-45.55
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC=C1F	REAL300008035485	0	35	-1.0	-48.37	322.13	3.89	-44.48
CC1=CC(Br)=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035486	0	35	-1.0	-43.16	330.79	4.68	-38.48
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1C	REAL300008035487	0	40	-1.0	-49.89	341.82	5.91	-43.98
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035488	0	41	-1.0	-62.09	366.05	1.98	-60.11
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035489	0	40	-1.0	-51.94	374.44	-0.61	-52.55
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035490	0	40	-1.0	-54.96	344.33	2.31	-52.65
CC1=NC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])S1	REAL300008035491	0	34	-1.0	-46.89	323.06	1.79	-45.10
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300008035492	0	35	-1.0	-54.96	323.67	4.59	-50.37
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CCCC1	REAL300008035493	0	38	-1.0	-44.53	323.37	3.60	-40.93
COC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC=C1F	REAL300008035494	0	36	-1.0	-44.07	331.29	2.57	-41.50
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CSC=C1	REAL300008035495	0	29	-1.0	-43.85	286.67	2.11	-41.74
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008035496	0	42	-1.0	-49.71	372.03	6.63	-43.08
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008035497	0	35	-1.0	-41.86	352.48	4.90	-36.96
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CCCCC1	REAL300008035498	0	41	-1.0	-52.41	336.21	4.61	-47.80
CC1=NC(C2=CC=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])S2)=CS1	REAL300008035499	0	38	-1.0	-49.66	377.27	3.78	-45.88
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035500	0	40	-1.0	-53.68	344.09	4.98	-48.70
CNC(=O)C1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CN1C	REAL300008035501	0	40	-1.0	-52.93	360.03	1.09	-51.84
COC1=CC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1	REAL300008035502	0	42	-1.0	-47.47	354.12	4.11	-43.36
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008035503	0	43	-1.0	-53.63	379.32	7.54	-46.09
COC1=CC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C	REAL300008035504	0	42	-1.0	-53.89	348.98	4.30	-49.59
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008035505	0	40	-1.0	-50.19	343.27	4.41	-45.78
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008035506	0	37	-1.0	-59.57	319.56	4.03	-55.54
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-])=C2	REAL300008035507	0	45	-1.0	-54.54	394.74	7.27	-47.27
CCN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008035508	0	37	-1.0	-57.54	334.51	4.26	-53.28
CCN1C=C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008035508	1	36	-2.0	-132.42	336.25	4.75	-127.67
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008035509	0	39	-1.0	-44.71	366.49	3.88	-40.83
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035510	0	40	-1.0	-57.72	357.91	4.71	-53.01
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008035511	0	42	-1.0	-47.56	381.55	4.76	-42.80
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008035512	0	35	-1.0	-71.00	310.81	2.22	-68.78
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035513	0	54	-1.0	-52.13	422.91	6.27	-45.86
CC1=CC=CC(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035514	0	38	-1.0	-46.97	340.43	4.55	-42.42
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035515	0	40	-1.0	-52.56	369.13	-0.09	-52.65
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008035516	0	35	-1.0	-45.99	325.43	3.95	-42.04
CC1=CC=CC=C1CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035517	0	38	-1.0	-47.55	335.82	4.48	-43.07
CCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=CC=CC=C12	REAL300008035518	0	45	-1.0	-59.08	374.83	6.04	-53.04
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035519	0	42	-1.0	-46.91	348.67	4.75	-42.16
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008035520	0	37	-1.0	-52.05	346.11	3.41	-48.64
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008035521	0	39	-1.0	-52.33	356.59	4.57	-47.76
CCOCCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035522	0	46	-1.0	-48.20	404.65	3.68	-44.52
CCCCCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035523	0	48	-1.0	-46.34	413.67	5.81	-40.53
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008035524	0	42	-1.0	-57.08	339.89	6.02	-51.06
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008035525	0	38	-1.0	-49.08	344.78	4.99	-44.09
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008035526	0	36	-1.0	-44.76	354.20	4.68	-40.08
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008035527	0	37	-1.0	-46.94	333.45	2.54	-44.40
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008035528	0	40	-1.0	-56.61	360.05	4.44	-52.17
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008035529	0	38	-1.0	-57.91	329.35	-0.86	-58.77
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008035530	0	37	-1.0	-50.09	346.11	3.40	-46.69
CCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1	REAL300008035531	0	42	-1.0	-52.53	349.21	4.51	-48.02
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035532	0	40	-1.0	-58.90	371.49	-0.38	-59.28
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008035533	0	36	-1.0	-53.49	327.11	3.81	-49.68
CSC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035534	0	36	-1.0	-45.52	335.76	4.21	-41.31
CCCCCCCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035535	0	43	-1.0	-43.32	366.60	4.78	-38.54
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008035536	0	38	-1.0	-46.53	358.89	4.88	-41.65
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035537	0	43	-1.0	-44.66	365.46	5.05	-39.61
CCN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])N=C1C	REAL300008035538	0	38	-1.0	-53.20	343.38	3.04	-50.16
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008035539	0	38	-1.0	-50.02	339.31	3.18	-46.84
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300008035540	0	37	-1.0	-48.84	333.64	3.76	-45.08
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CCCO1	REAL300008035541	0	36	-1.0	-46.63	315.85	1.51	-45.12
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CCCCO1	REAL300008035542	0	39	-1.0	-47.34	334.34	2.21	-45.13
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C(F)(F)F	REAL300008035543	0	38	-1.0	-47.50	352.26	4.75	-42.75
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008035544	0	38	-1.0	-55.78	368.99	4.21	-51.57
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008035545	0	41	-1.0	-56.00	359.71	5.01	-50.99
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=C12	REAL300008035546	0	40	-1.0	-49.27	361.89	2.92	-46.35
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035547	0	39	-1.0	-49.23	365.06	3.78	-45.45
COCC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035548	0	39	-1.0	-54.01	349.92	3.17	-50.84
CC1(C)CC2=CC=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=C2O1	REAL300008035549	0	43	-1.0	-52.81	374.13	4.68	-48.13
CCN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035550	0	35	-1.0	-49.88	322.01	2.02	-47.86
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008035551	0	35	-1.0	-47.95	333.73	4.33	-43.62
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008035552	0	39	-1.0	-42.53	365.02	3.68	-38.85
CC(C1CC1)N(C)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035553	0	40	-1.0	-45.06	333.84	3.12	-41.94
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008035554	0	40	-1.0	-54.97	345.86	4.07	-50.90
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008035555	0	35	-1.0	-55.00	344.56	5.08	-49.92
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CCOC1	REAL300008035556	0	36	-1.0	-54.10	309.86	1.38	-52.72
CC1CC2=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=CC=C2O1	REAL300008035557	0	40	-1.0	-52.70	352.03	4.01	-48.69
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035558	0	44	-1.0	-45.14	354.88	6.40	-38.74
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008035559	0	38	-1.0	-52.09	361.84	4.12	-47.97
COCCN(C)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035560	0	37	-1.0	-50.87	322.38	0.69	-50.18
CN(CC1CC1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035561	0	37	-1.0	-43.68	327.20	2.99	-40.69
CC1=NC(C2=CC=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=C2)=CO1	REAL300008035562	0	41	-1.0	-51.05	374.23	2.29	-48.76
CN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008035563	0	35	-1.0	-50.38	332.35	2.39	-47.99
CN1C=C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008035563	1	34	-2.0	-129.73	321.26	2.81	-126.92
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C(C)O1	REAL300008035564	0	35	-1.0	-54.31	310.23	3.01	-51.30
CC1=CSC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035565	0	32	-1.0	-52.38	309.46	3.12	-49.26
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008035566	0	35	-1.0	-53.06	325.32	3.61	-49.45
O=C([O-])C(CN1C=CC=N1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008035566	1	34	-2.0	-139.16	320.04	3.90	-135.26
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008035567	0	35	-1.0	-49.65	321.14	2.08	-47.57
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035568	0	35	-1.0	-49.82	322.36	0.09	-49.73
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=C2CCCN12	REAL300008035569	0	36	-1.0	-52.11	322.50	2.85	-49.26
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])SC=C1	REAL300008035570	0	32	-1.0	-53.69	288.24	2.91	-50.78
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008035571	0	40	-1.0	-53.58	348.45	4.04	-49.54
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008035572	0	39	-1.0	-45.95	338.62	4.99	-40.96
CC1=CC=C(N2C=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=N2)C=C1	REAL300008035573	0	42	-1.0	-50.32	378.16	5.21	-45.11
CC1CC2=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=CC(Cl)=C2O1	REAL300008035574	0	40	-1.0	-52.80	368.93	4.54	-48.26
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008035575	0	37	-1.0	-42.48	339.78	4.37	-38.11
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035576	0	43	-1.0	-57.09	385.57	4.01	-53.08
CC1=NN(C)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035577	0	35	-1.0	-53.39	313.93	1.68	-51.71
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])N(C)N=C1	REAL300008035578	0	35	-1.0	-47.11	309.72	1.80	-45.31
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008035579	0	34	-1.0	-50.29	327.16	2.90	-47.39
CN(C)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035580	0	40	-1.0	-48.47	346.66	3.58	-44.89
CC1=CC2=CC=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=C2C=C1	REAL300008035581	0	41	-1.0	-54.15	362.26	6.33	-47.82
COC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])SC=C1	REAL300008035582	0	33	-1.0	-59.94	299.71	1.54	-58.40
CN(C)C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035583	0	40	-1.0	-53.85	346.60	3.83	-50.02
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008035584	0	37	-1.0	-51.16	322.25	3.44	-47.72
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008035585	0	37	-1.0	-51.66	343.51	3.24	-48.42
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008035586	0	37	-1.0	-47.99	331.38	3.05	-44.94
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008035587	0	38	-1.0	-51.51	355.75	5.47	-46.04
CN1CCCC2=CC=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=C21	REAL300008035588	0	44	-1.0	-50.05	372.06	3.79	-46.26
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008035589	0	34	-1.0	-44.44	332.20	2.49	-41.95
COC1=CC=CC(OC)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035590	0	40	-1.0	-61.59	346.19	3.97	-57.62
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035591	0	40	-1.0	-45.00	353.85	5.23	-39.77
CC1=CC=C(C)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1[N+](=O)[O-]	REAL300008035592	0	40	-1.0	-51.15	353.69	6.21	-44.94
CC1=CC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008035593	0	40	-1.0	-48.15	349.02	5.22	-42.93
COC1=CC=C(CCS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035594	0	42	-1.0	-52.69	368.28	4.28	-48.41
COC1=CN=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035595	0	35	-1.0	-48.21	322.41	0.71	-47.50
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])S1	REAL300008035596	0	41	-1.0	-47.80	370.47	4.89	-42.91
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008035597	0	39	-1.0	-47.17	346.71	5.35	-41.82
COC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC(OC)=C1	REAL300008035598	0	40	-1.0	-55.21	354.09	2.04	-53.17
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1CCCCC1	REAL300008035599	0	44	-1.0	-44.73	362.44	4.85	-39.88
CC1=CC=C(CCS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035600	0	41	-1.0	-45.17	359.74	5.32	-39.85
CC1=CC2=C(C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-])OCO2	REAL300008035601	0	38	-1.0	-46.43	336.34	2.74	-43.69
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008035602	0	35	-1.0	-50.53	321.87	3.77	-46.76
COC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC=C1Cl	REAL300008035603	0	36	-1.0	-43.95	341.10	3.06	-40.89
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1CCCC1	REAL300008035604	0	41	-1.0	-44.02	344.81	4.27	-39.75
CN1C=NC2=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=CC=C21	REAL300008035605	0	38	-1.0	-54.79	346.10	4.58	-50.21
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008035606	0	40	-1.0	-54.09	343.78	4.70	-49.39
CC1=NC2=CC=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=C2O1	REAL300008035607	0	37	-1.0	-49.00	339.22	0.87	-48.13
CCC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1CC	REAL300008035608	0	44	-1.0	-49.05	374.89	5.80	-43.25
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035609	0	40	-1.0	-41.75	352.50	5.50	-36.25
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035610	0	42	-1.0	-49.52	353.95	4.73	-44.79
CC1=C(C)SC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035611	0	35	-1.0	-53.51	328.88	3.86	-49.65
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035612	0	33	-1.0	-43.85	319.77	1.14	-42.71
CC1=NC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])S1	REAL300008035613	0	31	-1.0	-49.75	304.64	1.31	-48.44
CCC1=NC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])S1	REAL300008035614	0	34	-1.0	-49.37	326.12	2.06	-47.31
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(N)=NO1	REAL300008035615	0	33	-1.0	-44.07	301.85	0.58	-43.49
CC1=C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])C(N)=NO1	REAL300008035615	1	32	-2.0	-121.67	295.12	1.15	-120.52
CN(C)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035616	0	39	-1.0	-54.03	343.92	3.21	-50.82
CC1=CC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])S1	REAL300008035617	0	35	-1.0	-54.44	316.20	3.97	-50.47
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008035618	0	38	-1.0	-51.27	340.90	5.06	-46.21
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008035619	0	35	-1.0	-47.90	306.82	1.80	-46.10
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC(C)=C1F	REAL300008035620	0	38	-1.0	-43.99	342.60	4.53	-39.46
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008035621	0	39	-1.0	-60.77	351.07	3.17	-57.60
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008035622	0	45	-1.0	-54.95	394.54	5.01	-49.94
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300008035623	0	36	-1.0	-66.18	324.14	3.35	-62.83
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008035624	0	34	-1.0	-61.86	319.95	3.38	-58.48
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035625	0	34	-1.0	-49.20	314.43	2.06	-47.14
CC1=NC(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CS1	REAL300008035626	0	34	-1.0	-49.38	323.40	1.55	-47.83
COC(CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-])C1CC1	REAL300008035627	0	39	-1.0	-45.75	339.84	2.53	-43.22
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008035628	0	35	-1.0	-43.73	336.89	4.41	-39.32
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC=C1Cl	REAL300008035629	0	35	-1.0	-49.44	330.57	4.52	-44.92
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008035630	0	38	-1.0	-56.68	342.81	4.43	-52.25
CC1=CSC(C2=CC=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=C2)=N1	REAL300008035631	0	41	-1.0	-48.59	381.82	4.66	-43.93
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008035632	0	40	-1.0	-59.45	340.74	4.90	-54.55
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008035633	0	39	-1.0	-59.83	360.00	1.31	-58.52
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008035634	0	41	-1.0	-51.43	355.78	3.85	-47.58
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008035635	0	35	-1.0	-45.82	340.04	4.41	-41.41
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035636	0	45	-1.0	-52.34	384.89	5.11	-47.23
COC(CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-])C1CCCC1	REAL300008035637	0	45	-1.0	-45.16	368.10	3.58	-41.58
COC(CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-])C1CCCCC1	REAL300008035638	0	48	-1.0	-53.02	385.21	4.52	-48.50
CC1(C)CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])CO1	REAL300008035639	0	39	-1.0	-41.00	310.51	2.45	-38.55
CCOC(CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-])C1CC1	REAL300008035640	0	42	-1.0	-46.07	359.35	3.49	-42.58
CCCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C(C)C	REAL300008035641	0	51	-1.0	-46.61	427.03	6.25	-40.36
CCC1=NC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CN1CC1CC1	REAL300008035642	0	45	-1.0	-56.87	390.29	5.20	-51.67
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008035643	0	35	-1.0	-46.93	337.58	2.74	-44.19
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008035644	0	40	-1.0	-48.27	345.70	5.77	-42.50
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035645	0	39	-1.0	-45.47	340.12	2.99	-42.48
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008035646	0	45	-1.0	-48.58	396.89	5.80	-42.78
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035647	0	35	-1.0	-45.52	329.26	2.04	-43.48
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008035648	0	42	-1.0	-53.81	363.61	6.70	-47.11
CCC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C(C)C=C1OC	REAL300008035649	0	45	-1.0	-54.25	370.83	5.67	-48.58
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])=N1	REAL300008035650	0	33	-2.0	-147.98	317.38	2.52	-145.46
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=N1	REAL300008035650	1	34	-1.0	-54.63	324.93	2.25	-52.38
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008035651	0	41	-1.0	-50.61	345.76	6.25	-44.36
CC(C)OC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035652	0	41	-1.0	-47.90	364.10	2.00	-45.90
COC1=C(F)C=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035653	0	36	-1.0	-48.48	330.73	3.30	-45.18
CCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C(C)C	REAL300008035654	0	48	-1.0	-46.85	405.53	5.45	-41.40
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1F	REAL300008035655	0	44	-1.0	-48.46	376.05	5.48	-42.98
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008035656	0	51	-1.0	-53.72	419.36	7.97	-45.75
CN1N=C2CCCCC2=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035657	0	42	-1.0	-48.65	352.53	3.45	-45.20
CN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300008035658	0	44	-1.0	-53.77	354.06	3.71	-50.06
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008035659	0	42	-1.0	-49.39	363.37	3.80	-45.59
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035660	0	35	-1.0	-44.61	322.39	2.26	-42.35
COC1=CC=C(F)C=C1CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035661	0	39	-1.0	-48.29	351.40	3.28	-45.01
C=CCCC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035662	0	42	-1.0	-46.92	375.03	6.00	-40.92
CCC1=NN(C)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035663	0	38	-1.0	-49.03	342.28	2.24	-46.79
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008035664	0	36	-1.0	-50.48	345.05	5.17	-45.31
CCCOC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1CC	REAL300008035665	0	48	-1.0	-48.19	412.37	5.75	-42.44
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035666	0	38	-1.0	-43.64	341.40	5.33	-38.31
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCCC1CC1	REAL300008035667	0	38	-1.0	-51.83	331.97	4.30	-47.53
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008035668	0	36	-1.0	-52.51	342.56	5.09	-47.42
CCCC1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035669	0	41	-1.0	-56.11	338.08	5.93	-50.18
COC1=NC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035670	0	35	-1.0	-48.11	319.29	0.67	-47.44
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008035671	0	37	-1.0	-60.45	319.48	4.00	-56.45
CC1=NC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])N1C	REAL300008035672	0	35	-1.0	-53.53	307.55	2.32	-51.21
CC1=CSC(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035673	0	35	-1.0	-42.88	315.80	3.81	-39.07
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008035674	0	39	-1.0	-51.08	347.73	2.92	-48.16
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300008035675	0	39	-1.0	-46.04	339.91	2.94	-43.10
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008035676	0	42	-1.0	-49.20	354.97	4.04	-45.16
CC1(C)COC2=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=NN2C1	REAL300008035677	0	43	-1.0	-47.97	356.75	1.57	-46.40
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008035678	0	38	-1.0	-51.50	363.09	4.37	-47.13
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=C2CCCCN12	REAL300008035679	0	39	-1.0	-49.25	337.05	3.16	-46.09
COC1=CC(C(C)C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C	REAL300008035680	0	48	-1.0	-56.73	379.18	5.15	-51.58
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035681	0	42	-1.0	-55.75	362.59	5.17	-50.58
CC1CC2=CC=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=C2O1	REAL300008035682	0	40	-1.0	-60.94	346.38	4.21	-56.73
CC(C)(C)C1=NC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])S1	REAL300008035683	0	40	-1.0	-49.99	364.94	3.12	-46.87
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008035684	0	38	-1.0	-50.38	350.61	3.87	-46.51
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035685	0	37	-1.0	-62.61	337.69	3.02	-59.59
CCN1N=NC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035686	0	34	-1.0	-46.60	313.15	0.52	-46.08
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008035687	0	41	-1.0	-45.90	342.70	3.24	-42.66
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008035688	0	33	-1.0	-44.41	312.71	2.02	-42.39
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008035689	0	35	-1.0	-51.17	336.68	4.65	-46.52
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035690	0	39	-1.0	-48.01	349.42	2.98	-45.03
CC1=CC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1F	REAL300008035691	0	41	-1.0	-45.31	349.33	5.43	-39.88
COC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1OC	REAL300008035692	0	40	-1.0	-51.78	353.87	3.05	-48.73
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=COC2=CC=CC=C21	REAL300008035693	0	35	-1.0	-55.32	318.87	3.46	-51.86
CN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C2CCCC2)=N1	REAL300008035694	0	45	-1.0	-49.53	382.75	4.08	-45.45
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035695	0	44	-1.0	-49.55	371.87	3.95	-45.60
CCCCN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=N1	REAL300008035696	0	44	-1.0	-50.15	370.91	3.99	-46.16
CN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C2CC2)=N1	REAL300008035697	0	39	-1.0	-50.14	353.86	3.09	-47.05
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008035698	0	36	-1.0	-49.98	337.08	2.80	-47.18
CN1N=NC2=C(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])C=CC=C21	REAL300008035699	0	37	-1.0	-57.87	340.75	1.90	-55.97
CC1(C)CCCN(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C1	REAL300008035700	0	43	-1.0	-51.81	345.02	3.63	-48.18
CN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C2CCC2)=N1	REAL300008035701	0	42	-1.0	-49.63	368.08	3.57	-46.06
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035702	0	50	-1.0	-58.24	386.04	6.77	-51.47
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008035703	0	42	-1.0	-48.98	371.81	3.87	-45.11
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008035704	0	36	-1.0	-55.14	332.88	4.66	-50.48
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008035705	0	43	-1.0	-56.82	389.95	6.55	-50.27
COC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008035706	0	41	-1.0	-60.31	360.17	4.49	-55.82
CCCC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035707	0	41	-1.0	-53.27	359.50	5.63	-47.64
CN1N=C2CCCC2=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035708	0	39	-1.0	-49.60	342.13	2.78	-46.82
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300008035709	0	38	-1.0	-46.51	326.15	2.65	-43.86
CC1=CC=CC(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035710	0	38	-1.0	-51.70	314.94	4.92	-46.78
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035711	0	41	-1.0	-50.05	327.60	3.22	-46.83
CC(C)(C)N1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035712	0	41	-1.0	-50.31	360.69	3.14	-47.17
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300008035713	0	39	-1.0	-47.37	345.75	2.25	-45.12
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CN=C1C(F)(F)F	REAL300008035714	0	37	-1.0	-44.73	345.89	3.26	-41.47
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008035715	0	35	-1.0	-46.44	338.91	4.44	-42.00
CC1=NN(C)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035716	0	35	-1.0	-50.82	309.83	1.65	-49.17
CC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1C	REAL300008035717	0	38	-1.0	-55.95	316.44	4.75	-51.20
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035718	0	43	-1.0	-57.61	379.68	5.46	-52.15
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008035719	0	43	-1.0	-49.76	366.06	6.30	-43.46
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008035720	0	38	-1.0	-45.53	359.91	4.25	-41.28
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008035721	0	38	-1.0	-51.55	331.75	3.74	-47.81
CN(C1CCC1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035722	0	37	-1.0	-44.58	315.13	2.24	-42.34
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008035723	0	39	-1.0	-47.96	346.11	1.50	-46.46
O=C([O-])C(CN1C=CC=N1)NC(=O)N1CCC(F)(F)CC1	REAL300008035724	0	36	-1.0	-50.15	304.59	6.01	-44.14
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008035725	0	32	-1.0	-54.64	305.64	3.66	-50.98
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008035726	0	39	-1.0	-52.43	344.25	5.53	-46.90
COC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=CS1	REAL300008035727	0	33	-1.0	-46.83	318.45	1.94	-44.89
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008035728	0	42	-1.0	-46.28	355.18	3.60	-42.68
CCC(C)N1N=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035729	0	41	-1.0	-49.66	346.54	3.34	-46.32
CN(C(C)(C)C)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035730	0	39	-1.0	-52.06	311.03	2.60	-49.46
CCC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])O1	REAL300008035731	0	35	-1.0	-48.86	321.66	2.83	-46.03
CN(C1CCCCCC1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035732	0	46	-1.0	-44.19	363.51	4.18	-40.01
CN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C2CCOCC2)=N1	REAL300008035733	0	46	-1.0	-53.74	384.53	2.30	-51.44
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035734	0	38	-1.0	-50.32	346.76	4.93	-45.39
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008035735	0	36	-1.0	-52.10	334.35	3.01	-49.09
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008035736	0	47	-1.0	-44.18	392.53	5.96	-38.22
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])S1	REAL300008035737	0	33	-1.0	-45.85	321.26	1.70	-44.15
CC1=CC(C)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=NC=CC=C12	REAL300008035738	0	43	-1.0	-56.59	366.48	5.53	-51.06
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008035739	0	40	-1.0	-41.29	352.54	3.41	-37.88
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(CCF)N=C1	REAL300008035740	0	35	-1.0	-48.87	328.60	2.15	-46.72
CCOCC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035741	0	42	-1.0	-54.04	371.78	4.13	-49.91
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035742	0	42	-1.0	-50.52	377.15	4.45	-46.07
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008035743	0	45	-1.0	-49.52	382.58	4.38	-45.14
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008035744	0	43	-1.0	-48.00	386.53	6.08	-41.92
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1CF	REAL300008035745	0	35	-1.0	-55.70	300.28	4.27	-51.43
CC1=CN=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035746	0	34	-1.0	-48.56	314.28	2.10	-46.46
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=CC=CC=C12	REAL300008035747	0	41	-1.0	-51.90	356.26	6.18	-45.72
CN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008035748	0	42	-1.0	-52.75	368.61	5.03	-47.72
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CC2CC1C2	REAL300008035749	0	35	-1.0	-53.21	301.56	2.17	-51.04
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008035750	0	36	-1.0	-51.46	334.96	4.71	-46.75
CCOCCCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035751	0	38	-1.0	-43.26	336.14	1.69	-41.57
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008035752	0	37	-1.0	-44.04	336.90	-2.96	-47.00
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008035753	0	35	-1.0	-55.08	322.98	3.65	-51.43
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1CCC(F)(F)CC1	REAL300008035754	0	38	-1.0	-52.42	322.30	3.20	-49.22
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008035755	0	34	-1.0	-48.07	326.51	2.60	-45.47
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCOC1CCOC1	REAL300008035756	0	40	-1.0	-45.38	350.06	0.37	-45.01
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1COCCO1	REAL300008035757	0	37	-1.0	-46.36	325.20	0.37	-45.99
CC1=NC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008035758	0	41	-1.0	-57.99	369.35	2.38	-55.61
CC1=NC(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008035758	1	40	-2.0	-144.02	362.69	2.60	-141.42
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008035759	0	49	-1.0	-54.53	370.53	6.35	-48.18
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CCN1C=NN=N1	REAL300008035760	0	33	-1.0	-55.20	308.30	1.36	-53.84
CC1(C)COC(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C1	REAL300008035761	0	42	-1.0	-54.95	353.53	2.77	-52.18
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300008035762	0	35	-1.0	-47.65	326.25	-1.14	-48.79
CC(C)(CS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-])C(C)(F)F	REAL300008035763	0	40	-1.0	-52.14	332.76	3.90	-48.24
CS(=O)(=O)CCCCS(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035764	0	40	-1.0	-61.58	364.00	0.30	-61.28
CC1(C)CCC(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])OC1	REAL300008035765	0	45	-1.0	-54.33	367.74	3.85	-50.48
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008035766	0	42	-1.0	-52.10	364.28	5.76	-46.34
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008035767	0	36	-1.0	-53.62	344.38	2.21	-51.41
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008035768	0	42	-1.0	-44.13	376.36	6.04	-38.09
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008035769	0	41	-1.0	-56.38	346.05	0.91	-55.47
COCCC1(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])CC1	REAL300008035770	0	39	-1.0	-43.99	334.39	2.02	-41.97
CCN1N=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=N1	REAL300008035771	0	34	-1.0	-50.32	318.54	0.12	-50.20
CCN1N=CC(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])=N1	REAL300008035771	1	33	-2.0	-131.40	309.39	0.65	-130.75
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008035772	0	45	-1.0	-52.52	361.05	5.48	-47.04
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008035773	0	36	-1.0	-53.66	339.89	4.77	-48.89
COC1=CC=C(C=C(C)S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300008035774	0	43	-1.0	-49.08	367.40	4.11	-44.97
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035775	0	37	-1.0	-54.30	312.64	0.20	-54.10
CCC1=NNC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035776	0	35	-1.0	-49.39	306.41	1.16	-48.23
COC1=CSC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1OC	REAL300008035777	0	37	-1.0	-55.57	330.43	1.29	-54.28
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008035778	0	44	-1.0	-46.56	353.29	3.62	-42.94
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035779	0	43	-1.0	-51.94	373.87	5.28	-46.66
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008035780	0	36	-1.0	-48.15	344.89	4.02	-44.13
COC1=CC(F)=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(F)=C1	REAL300008035781	0	36	-1.0	-48.42	335.40	2.79	-45.63
COC1=CC(F)=C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])C(F)=C1	REAL300008035781	1	35	-2.0	-136.49	333.38	2.48	-134.01
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008035782	0	36	-1.0	-54.46	340.32	3.10	-51.36
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035783	0	38	-1.0	-50.30	339.32	3.38	-46.92
CN1C=CC2=CC(S(=O)(=O)NC(CN3C=CC=N3)C(=O)[O-])=CC=C21	REAL300008035784	0	39	-1.0	-57.60	348.53	5.22	-52.38
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035785	0	45	-1.0	-54.84	391.58	5.64	-49.20
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008035786	0	43	-1.0	-52.03	383.57	6.29	-45.74
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035787	0	38	-1.0	-50.03	329.90	5.07	-44.96
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008035788	0	33	-1.0	-46.98	324.26	2.11	-44.87
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035789	0	43	-1.0	-52.87	378.44	5.04	-47.83
CCN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C2CC2)=N1	REAL300008035790	0	42	-1.0	-48.15	369.27	4.17	-43.98
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=NSN=C2C=C1	REAL300008035791	0	36	-1.0	-54.23	327.25	2.55	-51.68
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008035792	0	38	-1.0	-51.54	357.63	6.20	-45.34
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008035793	0	31	-1.0	-48.10	322.05	1.38	-46.72
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035794	0	45	-1.0	-48.23	384.24	4.46	-43.77
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=C(Cl)OC=C1	REAL300008035795	0	29	-1.0	-43.98	295.05	2.01	-41.97
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC(Cl)=CS1	REAL300008035796	0	29	-1.0	-48.39	304.97	2.97	-45.42
COCCC1=CC=C(OC)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035797	0	46	-1.0	-59.52	397.17	4.41	-55.11
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008035798	0	38	-1.0	-54.51	354.11	5.88	-48.63
CN1N=C2CCOCC2=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035799	0	40	-1.0	-48.86	344.22	1.07	-47.79
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008035800	0	39	-1.0	-47.48	338.29	5.38	-42.10
CC1(C)CCN(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])CC1	REAL300008035801	0	43	-1.0	-50.96	337.49	3.58	-47.38
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008035802	0	47	-1.0	-47.34	397.45	3.57	-43.77
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035803	0	35	-1.0	-44.44	324.89	1.06	-43.38
COC1=NC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=C1C	REAL300008035804	0	38	-1.0	-48.19	342.28	0.86	-47.33
CC(C)CN1C=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=N1	REAL300008035805	0	41	-1.0	-52.99	358.96	3.60	-49.39
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035806	0	41	-1.0	-50.42	346.59	2.98	-47.44
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008035807	0	42	-1.0	-50.20	361.12	1.13	-49.07
COCC1=CC(CS(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=NO1	REAL300008035808	0	38	-1.0	-47.68	347.42	1.02	-46.66
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])N=C1	REAL300008035809	0	43	-1.0	-57.14	368.64	3.89	-53.25
CC(C)N1N=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035810	0	38	-1.0	-47.46	332.07	2.45	-45.01
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300008035811	0	39	-1.0	-46.52	346.40	3.40	-43.12
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008035812	0	39	-1.0	-55.10	340.59	4.56	-50.54
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008035813	0	34	-1.0	-55.42	324.20	2.44	-52.98
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300008035814	0	37	-1.0	-56.31	328.44	3.75	-52.56
CC1=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C=NN1C(C)C	REAL300008035815	0	41	-1.0	-49.99	354.43	3.18	-46.81
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008035816	0	37	-1.0	-56.57	334.43	3.73	-52.84
CC1=CN=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C)=C1	REAL300008035817	0	37	-1.0	-58.32	328.49	3.10	-55.22
CC1=CN=CC=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035818	0	34	-1.0	-50.22	294.20	2.48	-47.74
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CC=C(Br)CC1	REAL300008035819	0	35	-1.0	-41.75	328.34	2.93	-38.82
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035820	0	40	-1.0	-41.95	319.84	-0.15	-42.10
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CC2CCC(C1)O2	REAL300008035821	0	39	-1.0	-46.47	329.16	1.37	-45.10
N#CC1CCN(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])CC1	REAL300008035822	0	38	-1.0	-49.55	332.03	2.70	-46.85
COC1=CC=NC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035823	0	35	-1.0	-50.70	321.15	0.58	-50.12
C=CCN(CC=C)S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035824	0	38	-1.0	-51.42	329.22	3.27	-48.15
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C(C(F)F)=C1	REAL300008035825	0	39	-1.0	-60.97	335.85	3.91	-57.06
COC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])N=C1	REAL300008035826	0	35	-1.0	-55.99	321.65	0.87	-55.12
CC1=CC=CN=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035827	0	34	-1.0	-52.10	308.70	2.15	-49.95
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035828	0	38	-1.0	-43.01	344.76	1.61	-41.40
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008035829	0	37	-1.0	-54.95	319.96	3.93	-51.02
CCOC1=CC=CN=C1S(=O)(=O)NC(CN1C=CC=N1)C(=O)[O-]	REAL300008035830	0	38	-1.0	-53.56	341.86	2.54	-51.02
CC1=CC=C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])C2=NC=CC=C12	REAL300008035831	0	40	-1.0	-55.90	353.93	4.67	-51.23
CC1=CC(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=CC=N1	REAL300008035832	0	34	-1.0	-49.74	312.03	2.26	-47.48
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300008035833	0	36	-1.0	-52.28	318.20	2.75	-49.53
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)N1CCC(F)(F)C1	REAL300008035834	0	34	-1.0	-47.05	311.38	1.64	-45.41
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CN=CS1	REAL300008035835	0	28	-1.0	-44.35	284.06	0.38	-43.97
O=C([O-])C(CN1C=CC=N1)NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008035836	0	34	-1.0	-52.60	325.78	2.20	-50.40
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CN2C=CC=N2)C(=O)[O-])=C1	REAL300008035837	0	45	-1.0	-58.08	384.01	5.92	-52.16
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300008035838	0	37	-1.0	-69.88	311.22	5.98	-63.90
CCC(C)C1=CC=C(S(=O)(=O)N(CC)C2(C(=O)[O-])CC2)C=C1	REAL300008035839	0	44	-1.0	-56.36	349.88	7.47	-48.89
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)S1	REAL300008035840	0	29	-1.0	-53.29	280.97	4.52	-48.77
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300008035841	0	39	-1.0	-51.01	321.96	5.92	-45.09
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300008035842	0	35	-1.0	-44.85	306.23	6.47	-38.38
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008035843	0	36	-1.0	-45.69	318.35	5.70	-39.99
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008035844	0	38	-1.0	-56.05	338.92	2.89	-53.16
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008035845	0	36	-1.0	-54.51	314.44	5.30	-49.21
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300008035846	0	43	-1.0	-49.04	346.41	5.15	-43.89
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300008035847	0	35	-1.0	-54.15	297.26	6.23	-47.92
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)N(C)C1CCCCC1	REAL300008035848	0	43	-1.0	-46.99	332.78	5.40	-41.59
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300008035849	0	38	-1.0	-46.17	310.11	4.29	-41.88
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008035850	0	48	-1.0	-52.88	370.14	8.81	-44.07
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008035851	0	38	-1.0	-52.91	322.85	4.51	-48.40
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1Br	REAL300008035852	0	32	-1.0	-44.88	286.09	5.81	-39.07
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008035853	0	32	-1.0	-54.82	289.75	6.13	-48.69
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300008035854	0	37	-1.0	-44.84	298.50	6.99	-37.85
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008035855	0	38	-1.0	-56.39	336.90	7.22	-49.17
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008035856	0	42	-1.0	-69.44	358.13	1.56	-67.88
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300008035857	0	43	-1.0	-50.88	360.82	7.22	-43.66
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300008035858	0	35	-1.0	-49.90	296.21	6.24	-43.66
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008035859	0	38	-1.0	-46.43	318.62	5.83	-40.60
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(COC)C=C1	REAL300008035860	0	39	-1.0	-57.58	326.27	4.61	-52.97
CCOC1=CC=C(S(=O)(=O)N(CC)C2(C(=O)[O-])CC2)C=N1	REAL300008035861	0	38	-1.0	-51.73	323.28	2.74	-48.99
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008035862	0	41	-1.0	-70.06	356.23	3.08	-66.98
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCS(C)(=O)=O	REAL300008035863	0	37	-1.0	-73.64	323.17	1.07	-72.57
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300008035864	0	42	-1.0	-47.25	330.19	5.76	-41.49
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008035865	0	37	-1.0	-50.22	331.69	5.94	-44.28
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008035866	0	35	-1.0	-58.96	317.30	6.36	-52.60
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008035867	0	37	-1.0	-48.64	318.81	5.80	-42.84
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300008035868	0	42	-1.0	-65.29	342.57	0.41	-64.88
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)N(C)C1CCOCC1	REAL300008035869	0	41	-1.0	-43.38	325.50	3.42	-39.96
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300008035870	0	41	-1.0	-53.90	345.87	6.40	-47.50
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300008035871	0	41	-1.0	-51.42	336.05	5.29	-46.13
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300008035872	0	38	-1.0	-53.26	318.40	4.23	-49.03
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300008035873	0	41	-1.0	-57.18	337.83	6.74	-50.44
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300008035874	0	38	-1.0	-56.23	323.37	5.56	-50.67
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300008035875	0	38	-1.0	-56.35	317.08	3.92	-52.43
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008035876	0	44	-1.0	-47.05	328.29	8.03	-39.02
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008035877	0	45	-1.0	-52.41	377.92	8.26	-44.15
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008035878	0	40	-1.0	-67.12	342.27	4.67	-62.45
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300008035879	0	40	-1.0	-46.88	339.83	4.85	-42.03
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300008035880	0	35	-1.0	-53.71	313.70	6.34	-47.37
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(F)=C1C	REAL300008035881	0	35	-1.0	-43.58	294.93	6.03	-37.55
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008035882	0	38	-1.0	-47.23	329.11	8.07	-39.16
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008035883	0	37	-1.0	-54.64	321.55	6.86	-47.78
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008035884	0	36	-1.0	-53.07	319.66	4.79	-48.28
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008035885	0	39	-1.0	-49.05	338.74	6.96	-42.09
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300008035886	0	47	-1.0	-45.61	374.43	6.84	-38.77
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008035887	0	35	-1.0	-55.86	303.40	5.74	-50.12
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300008035888	0	43	-1.0	-51.49	355.62	4.98	-46.51
O=C([O-])CC1(CS(=O)(=O)N2CCC3CCC(C3)C2)CC1	REAL300008038001	0	42	-1.0	-51.53	317.90	6.74	-44.79
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3CCC(C3)C2)=C1	REAL300008038002	0	42	-1.0	-52.11	329.49	7.65	-44.46
COC1=C(S(=O)(=O)N2CCC3CCC(C3)C2)SC(C(=O)[O-])=C1	REAL300008038003	0	40	-1.0	-46.42	328.53	5.69	-40.73
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCC4CCC(C4)C3)=CC=C2O1	REAL300008038004	0	44	-1.0	-48.99	337.09	7.23	-41.76
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C=C1C(F)(F)F	REAL300008038005	0	42	-1.0	-47.83	330.59	7.40	-40.43
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCC4CCC(C4)C3)C=C2)CC1	REAL300008038006	0	46	-1.0	-52.58	353.58	8.73	-43.85
CCC1=C(S(=O)(=O)N2CCC3CCC(C3)C2)C=C(C(=O)[O-])O1	REAL300008038007	0	42	-1.0	-53.87	315.09	6.17	-47.70
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038008	0	41	-1.0	-58.21	310.47	7.62	-50.59
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCC4CCC(C4)C3)=CC=C2S1	REAL300008038009	0	42	-1.0	-50.74	338.38	8.09	-42.65
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038010	0	41	-1.0	-52.91	326.23	8.54	-44.37
CC1=NC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300008038011	0	41	-1.0	-46.00	318.76	5.59	-40.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038012	0	43	-1.0	-48.35	333.48	6.68	-41.67
COC1=CC(S(=O)(=O)N2CCC3CCC(C3)C2)=CC=C1C(=O)[O-]	REAL300008038013	0	43	-1.0	-52.96	335.18	6.59	-46.37
COC1=CC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C(CC(=O)[O-])=C1	REAL300008038014	0	46	-1.0	-59.85	333.91	6.47	-53.38
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C=C1F	REAL300008038015	0	42	-1.0	-50.68	334.90	7.69	-42.99
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC3CCC(C3)C2)=C1	REAL300008038016	0	42	-1.0	-47.32	339.25	7.59	-39.73
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C=C1	REAL300008038017	0	48	-1.0	-49.37	353.80	8.23	-41.14
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038018	0	39	-1.0	-52.57	287.67	5.26	-47.31
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCC4CCC(C4)C3)C=CC=C12	REAL300008038019	0	45	-1.0	-50.00	336.67	8.25	-41.75
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3CCC(C3)C2)=C1	REAL300008038020	0	39	-1.0	-52.81	305.58	5.70	-47.11
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038021	0	39	-1.0	-60.63	320.24	8.63	-52.00
O=C([O-])C1=CC(S(=O)(=O)N2CCC3CCC(C3)C2)=CC=C1Cl	REAL300008038022	0	39	-1.0	-50.19	320.46	6.90	-43.29
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC3CCC(C3)C2)=C1	REAL300008038023	0	43	-1.0	-65.51	328.33	7.32	-58.19
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CCC3CCC(C3)C2)=C1OC	REAL300008038024	0	51	-1.0	-49.87	391.89	7.97	-41.90
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038025	0	39	-1.0	-52.57	287.67	5.26	-47.31
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300008038026	0	41	-2.0	-134.66	334.81	7.47	-127.19
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038027	0	46	-1.0	-54.55	346.69	6.56	-47.99
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3CCC(C3)C2)=C1	REAL300008038028	0	38	-1.0	-47.99	295.73	5.20	-42.79
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038029	0	42	-1.0	-55.93	314.68	7.76	-48.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC3CCC(C3)C2)=C1	REAL300008038030	0	36	-1.0	-47.53	302.45	5.39	-42.14
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C2=CC=CC=C12	REAL300008038031	0	45	-1.0	-50.65	336.34	8.25	-42.40
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038032	0	46	-1.0	-56.27	345.50	7.51	-48.76
COC1=CC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C(C(=O)[O-])=C1	REAL300008038033	0	43	-1.0	-60.87	322.65	6.59	-54.28
O=C([O-])C1=CC(S(=O)(=O)N2CCC3CCC(C3)C2)=CC=N1	REAL300008038034	0	38	-1.0	-53.94	304.02	4.73	-49.21
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038035	0	39	-1.0	-54.41	298.67	4.82	-49.59
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCC4CCC(C4)C3)C=C2C=C1	REAL300008038036	0	45	-1.0	-51.32	346.25	8.85	-42.47
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC3CCC(C3)C2)C1	REAL300008038037	0	42	-1.0	-55.60	310.66	6.42	-49.18
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3CCC(C3)C2)S1	REAL300008038038	0	39	-1.0	-50.59	311.74	6.36	-44.23
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038039	0	45	-1.0	-62.67	336.49	9.53	-53.14
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCC3CCC(C3)C2)=C1	REAL300008038040	0	42	-1.0	-45.72	320.86	7.65	-38.07
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038041	0	42	-1.0	-64.83	313.21	8.58	-56.25
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CCC3CCC(C3)C1)=C2	REAL300008038042	0	39	-1.0	-48.06	330.45	7.23	-40.83
O=C([O-])C1=NC(S(=O)(=O)N2CCC3CCC(C3)C2)=C2C=CC=CN21	REAL300008038043	0	42	-1.0	-67.76	325.88	5.72	-62.04
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCC4CCC(C4)C3)=C2C=C1	REAL300008038044	0	42	-1.0	-45.24	326.10	8.32	-36.92
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038045	0	44	-1.0	-53.93	301.12	6.66	-47.27
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038046	0	41	-1.0	-58.85	305.59	5.44	-53.41
O=C([O-])C1=C(S(=O)(=O)N2CCC3CCC(C3)C2)C=C(Cl)S1	REAL300008038047	0	36	-1.0	-57.06	309.57	7.17	-49.89
CC1=CC(S(=O)(=O)N2CCC3CCC(C3)C2)=CN=C1C(=O)[O-]	REAL300008038048	0	41	-1.0	-51.79	313.12	5.29	-46.50
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038049	0	42	-1.0	-64.83	313.21	8.58	-56.25
CCOC1=CC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300008038050	0	46	-1.0	-58.28	357.09	7.49	-50.79
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCC4CCC(C4)C3)C=C2C1	REAL300008038051	0	46	-1.0	-48.37	343.59	8.94	-39.43
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC2CCC(C2)C1	REAL300008038052	0	38	-1.0	-61.93	285.69	6.22	-55.71
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCC4CCC(C4)C3)C=C2C=C1	REAL300008038053	0	44	-1.0	-54.25	349.06	7.27	-46.98
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300008038054	0	43	-1.0	-53.39	359.00	6.63	-46.76
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300008038055	0	43	-1.0	-57.13	359.31	6.62	-50.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1=CN(C)N=C1	REAL300008038056	0	46	-1.0	-57.22	360.07	6.91	-50.31
CC1=CC=C(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300008038057	0	46	-1.0	-56.55	374.82	7.15	-49.40
CN1C=C(C2CSCCCN2S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C=N1	REAL300008038058	0	40	-1.0	-47.40	333.44	5.90	-41.50
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300008038059	0	43	-1.0	-57.13	359.31	6.62	-50.51
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300008038060	0	43	-1.0	-53.39	359.00	6.63	-46.76
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=N1	REAL300008038061	0	43	-1.0	-68.56	346.18	7.27	-61.29
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C=N1	REAL300008038062	0	41	-1.0	-53.26	346.90	4.38	-48.88
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C=N1	REAL300008038063	0	43	-1.0	-55.19	364.94	4.73	-50.46
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300008038064	0	40	-1.0	-52.86	348.28	5.78	-47.08
CN1C=C(C2CSCCCN2S(=O)(=O)C2=NNC=C2C(=O)[O-])C=N1	REAL300008038065	0	40	-1.0	-53.18	331.53	3.53	-49.65
CN1C=C(C2CSCCCN2S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300008038066	0	48	-1.0	-48.84	365.86	5.22	-43.62
CN1C=C(C2CSCCCN2S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300008038067	0	48	-1.0	-49.36	365.91	5.28	-44.08
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=N1	REAL300008038068	0	43	-1.0	-68.56	346.18	7.27	-61.29
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=N1	REAL300008038069	0	40	-1.0	-58.21	343.14	5.13	-53.08
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)O1	REAL300008038070	0	43	-1.0	-55.41	361.79	5.61	-49.80
CN1C=C(C2CSCCCN2S(=O)(=O)CCCC(=O)[O-])C=N1	REAL300008038071	0	42	-1.0	-52.20	342.03	5.18	-47.02
CN1C=C(C2CSCCCN2S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300008038072	0	45	-1.0	-41.94	344.86	5.35	-36.59
CN1C=C(C2CSCCCN2S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300008038073	0	46	-1.0	-60.55	379.73	7.33	-53.22
CN1C=C(C2CSCCCN2S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300008038074	0	48	-1.0	-49.36	365.91	5.28	-44.08
CN1C=C(C2CSCCCN2S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300008038075	0	46	-1.0	-67.15	381.26	7.18	-59.97
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=N1	REAL300008038076	0	40	-1.0	-58.21	343.14	5.13	-53.08
CN1C=C(C2CSCCCN2S(=O)(=O)CCCC(=O)[O-])C=N1	REAL300008038077	0	42	-1.0	-52.20	342.03	5.18	-47.02
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300008038078	0	40	-1.0	-52.41	346.92	5.56	-46.85
CC1=CC=CC(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)=C1C(=O)[O-]	REAL300008038079	0	46	-1.0	-55.78	359.37	7.50	-48.28
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300008038080	0	40	-1.0	-53.92	350.92	5.68	-48.24
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCSCC1C1=CN(C)N=C1	REAL300008038081	0	46	-1.0	-53.08	354.22	6.75	-46.33
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300008038082	0	46	-1.0	-52.81	381.20	7.41	-45.40
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C=N1	REAL300008038083	0	40	-1.0	-54.78	343.83	4.89	-49.89
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300008038084	0	46	-1.0	-54.58	381.12	7.41	-47.17
CC1=C(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)C=C(C(=O)[O-])O1	REAL300008038085	0	43	-1.0	-57.09	349.88	5.38	-51.71
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C=N1	REAL300008038086	0	42	-1.0	-54.25	354.25	4.83	-49.42
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CSN=C2C(=O)[O-])C=N1	REAL300008038087	0	39	-1.0	-49.83	321.26	3.95	-45.88
CN1C=C(C2CSCCCN2S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C=N1	REAL300008038088	0	39	-1.0	-73.19	337.61	4.10	-69.09
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C=N1	REAL300008038089	0	42	-1.0	-72.61	343.10	5.41	-67.20
CN1C=C(C2CSCCCN2S(=O)(=O)CCCCCC(=O)[O-])C=N1	REAL300008038090	0	48	-1.0	-52.15	385.03	6.75	-45.40
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C=N1	REAL300008038091	0	42	-1.0	-53.65	352.88	4.73	-48.92
CC1=CC(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300008038092	0	46	-1.0	-51.75	374.79	7.16	-44.59
CN(CCC(=O)[O-])S(=O)(=O)N1CCCSCC1C1=CN(C)N=C1	REAL300008038093	0	44	-1.0	-52.04	354.79	5.10	-46.94
CN1C=C(C2CSCCCN2S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300008038094	0	46	-1.0	-60.55	379.73	7.33	-53.22
CC1=CC=C(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300008038095	0	46	-1.0	-56.55	374.82	7.15	-49.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1=CN(C)N=C1	REAL300008038096	0	46	-1.0	-57.22	360.07	6.91	-50.31
CN1C=C(C2CSCCCN2S(=O)(=O)CC2(CC(=O)[O-])CC2)C=N1	REAL300008038097	0	46	-1.0	-51.83	362.59	6.37	-45.46
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300008038098	0	46	-1.0	-54.58	381.12	7.41	-47.17
CCC1=C(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)C=C(C(=O)[O-])O1	REAL300008038099	0	46	-1.0	-57.73	371.65	5.96	-51.77
CC1=NC=C(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300008038100	0	45	-1.0	-48.41	369.68	5.38	-43.03
CN1C=C(C2CSCCCN2S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=N1	REAL300008038101	0	43	-1.0	-55.36	342.65	4.51	-50.85
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)=C1	REAL300008038102	0	43	-1.0	-55.45	359.57	5.55	-49.90
CN1C=C(C2CSCCCN2S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C=N1	REAL300008038103	0	40	-1.0	-54.61	329.31	5.30	-49.31
CN1C=C(C2CSCCCN2S(=O)(=O)C2(C(=O)[O-])CCC2)C=N1	REAL300008038104	0	43	-1.0	-43.86	324.18	5.30	-38.56
CN1C=C(C2CSCCCN2S(=O)(=O)C2=NNC=C2C(=O)[O-])C=N1	REAL300008038105	0	40	-1.0	-53.18	331.53	3.53	-49.65
CN1C=C(C2CSCCCN2S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=N1	REAL300008038106	0	43	-1.0	-55.36	342.65	4.51	-50.85
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300008038107	0	42	-1.0	-48.34	352.37	5.39	-42.95
CN1C=C(C2CSCCCN2S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C=N1	REAL300008038108	0	46	-1.0	-56.49	370.36	7.68	-48.81
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C=N1	REAL300008038109	0	42	-1.0	-59.10	355.09	4.87	-54.23
CN1C=C(C2CSCCCN2S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=N1	REAL300008038110	0	40	-1.0	-44.60	340.10	3.16	-41.44
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C=N1	REAL300008038111	0	43	-1.0	-58.24	357.52	4.32	-53.92
CN1C=C(C2CSCCCN2S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300008038112	0	43	-1.0	-55.71	347.62	5.59	-50.12
CN1C=C(C2CSCCCN2S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300008038113	0	46	-1.0	-59.90	360.20	6.16	-53.74
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=N1	REAL300008038114	0	46	-1.0	-51.22	367.74	7.12	-44.10
CN1C=C(C2CSCCCN2S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C=N1	REAL300008038115	0	43	-1.0	-60.65	352.66	5.94	-54.71
CN1C=C(C2CSCCCN2S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300008038116	0	48	-1.0	-61.17	358.90	6.52	-54.65
CN1C=C(C2CSCCCN2S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=N1	REAL300008038117	0	40	-1.0	-44.60	340.10	3.16	-41.44
CN1C=C(C2CSCCCN2S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300008038118	0	45	-1.0	-60.68	350.66	5.82	-54.86
CN1C=C(C2CSCCCN2S(=O)(=O)C2=NNC=C2C(=O)[O-])C=N1	REAL300008038119	0	40	-1.0	-53.18	331.53	3.53	-49.65
CN1C=C(C2CSCCCN2S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300008038120	0	43	-1.0	-62.94	340.17	6.38	-56.56
CC1=CC(S(=O)(=O)N2CCCSCC2C2=CN(C)N=C2)=CN=C1C(=O)[O-]	REAL300008038121	0	45	-1.0	-56.67	371.74	5.30	-51.37
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=N1	REAL300008038122	0	46	-1.0	-51.22	367.74	7.12	-44.10
CN1C=C(C2CSCCCN2S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C=N1	REAL300008038123	0	42	-1.0	-44.79	325.44	5.22	-39.57
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300008038124	0	47	-1.0	-50.41	401.91	7.93	-42.48
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038125	0	47	-1.0	-57.65	401.96	7.94	-49.71
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CC=C1	REAL300008038126	0	44	-1.0	-55.38	386.34	7.76	-47.62
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CC=C1	REAL300008038126	1	43	-2.0	-131.87	379.70	7.53	-124.34
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038127	0	47	-1.0	-57.65	401.96	7.94	-49.71
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300008038128	0	47	-1.0	-50.41	401.91	7.93	-42.48
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038129	0	47	-1.0	-59.53	392.31	8.85	-50.68
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038129	1	46	-2.0	-143.27	393.68	8.21	-135.06
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038130	0	45	-1.0	-55.96	388.61	5.66	-50.30
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=CC=C1	REAL300008038131	0	47	-1.0	-52.73	407.26	6.07	-46.66
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=CC=C1	REAL300008038131	1	46	-2.0	-104.64	400.38	5.87	-98.77
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300008038132	0	44	-1.0	-48.47	394.66	7.08	-41.39
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300008038132	1	43	-2.0	-102.45	388.09	6.88	-95.57
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038133	0	43	-2.0	-126.81	373.18	4.65	-122.16
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038133	1	44	-1.0	-58.95	378.13	5.01	-53.94
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300008038134	0	52	-1.0	-48.46	418.33	7.01	-41.45
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300008038135	0	52	-1.0	-51.17	418.79	7.02	-44.15
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038136	0	47	-1.0	-59.53	392.31	8.85	-50.68
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038136	1	46	-2.0	-143.27	393.68	8.21	-135.06
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300008038137	0	43	-2.0	-107.98	380.58	6.12	-101.86
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300008038137	1	44	-1.0	-49.75	387.91	6.37	-43.38
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C(=O)OC(C)(C)C)C2=CC=CC=C2)O1	REAL300008038138	0	47	-1.0	-52.25	406.16	6.82	-45.43
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=CC=C1	REAL300008038139	0	46	-1.0	-52.98	387.84	6.56	-46.42
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=CC=C1	REAL300008038140	0	49	-1.0	-56.81	400.28	7.04	-49.77
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300008038141	0	52	-1.0	-51.17	418.79	7.02	-44.15
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300008038142	0	43	-2.0	-107.98	380.58	6.12	-101.86
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300008038142	1	44	-1.0	-49.75	387.91	6.37	-43.38
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=CC=C1	REAL300008038143	0	46	-1.0	-52.98	387.84	6.56	-46.42
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300008038144	0	44	-1.0	-52.70	395.76	6.98	-45.72
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300008038144	1	43	-2.0	-106.91	389.01	6.77	-100.14
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038145	0	44	-1.0	-51.11	393.89	6.97	-44.14
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038145	1	43	-2.0	-108.09	387.47	6.78	-101.31
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=CC=C1	REAL300008038146	0	43	-2.0	-106.45	380.82	5.86	-100.59
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=CC=C1	REAL300008038146	1	44	-1.0	-51.57	388.18	6.10	-45.47
CC1=C(S(=O)(=O)N[C@H](C(=O)OC(C)(C)C)C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300008038147	0	47	-1.0	-52.06	407.79	7.09	-44.97
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038148	0	46	-1.0	-47.11	397.13	6.14	-40.97
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038148	1	45	-2.0	-103.96	391.00	5.95	-98.01
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038149	0	42	-2.0	-131.63	374.14	5.99	-125.64
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=CC=C1	REAL300008038150	0	42	-2.0	-133.35	377.37	5.46	-127.89
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=CC=C1	REAL300008038150	1	43	-1.0	-62.47	378.48	5.51	-56.96
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038151	0	46	-1.0	-61.50	381.88	6.94	-54.56
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038151	1	45	-2.0	-138.82	383.04	6.92	-131.90
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C1=CC=CC=C1	REAL300008038152	0	52	-1.0	-52.17	426.64	8.08	-44.09
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300008038153	0	46	-1.0	-51.83	397.88	6.12	-45.71
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300008038153	1	45	-2.0	-101.16	391.68	5.96	-95.20
CN(CCC(=O)[O-])S(=O)(=O)N[C@H](C(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300008038154	0	48	-1.0	-48.01	393.42	5.92	-42.09
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300008038155	0	50	-1.0	-51.92	412.69	7.81	-44.11
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@H](C(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300008038156	0	47	-1.0	-49.97	393.31	6.27	-43.70
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@H](C(=O)OC(C)(C)C)C2=CC=CC=C2)=C1	REAL300008038157	0	47	-1.0	-50.70	405.91	6.96	-43.74
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=CC=C1	REAL300008038158	0	43	-2.0	-125.56	374.27	6.46	-119.10
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=CC=C1	REAL300008038158	1	44	-1.0	-59.78	384.23	6.39	-53.39
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=CC=CC=C1	REAL300008038159	0	47	-1.0	-50.69	365.67	7.08	-43.61
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038160	0	43	-2.0	-126.81	373.18	4.65	-122.16
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038160	1	44	-1.0	-58.95	378.13	5.01	-53.94
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@H](C(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300008038161	0	47	-1.0	-49.97	393.31	6.27	-43.70
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC=C1	REAL300008038162	0	46	-1.0	-51.10	396.54	6.35	-44.75
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC=C1	REAL300008038162	1	45	-2.0	-110.11	398.63	5.72	-104.39
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038163	0	46	-1.0	-59.32	398.08	6.17	-53.15
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038163	1	45	-2.0	-109.94	397.73	5.88	-104.06
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038164	0	44	-1.0	-46.08	384.41	4.29	-41.79
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038164	1	43	-2.0	-103.41	379.34	4.00	-99.41
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300008038165	0	47	-1.0	-54.78	404.33	5.71	-49.07
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300008038166	0	47	-1.0	-55.53	391.92	7.06	-48.47
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300008038167	0	50	-1.0	-54.44	408.37	7.61	-46.83
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300008038168	0	47	-1.0	-54.31	398.45	7.26	-47.05
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300008038169	0	52	-1.0	-58.16	410.08	8.02	-50.14
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038170	0	44	-1.0	-46.08	384.41	4.29	-41.79
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038170	1	43	-2.0	-103.41	379.34	4.00	-99.41
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300008038171	0	49	-1.0	-53.78	397.96	6.94	-46.84
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038172	0	43	-2.0	-126.81	373.18	4.65	-122.16
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038172	1	44	-1.0	-58.95	378.13	5.01	-53.94
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300008038173	0	47	-1.0	-58.55	382.10	7.67	-50.88
CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038174	0	46	-1.0	-52.70	387.94	7.04	-45.66
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038174	1	45	-2.0	-128.66	381.77	6.85	-121.81
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C1	REAL300008038175	0	48	-1.0	-49.89	384.07	8.44	-41.45
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038176	0	48	-1.0	-56.95	385.85	8.55	-48.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038177	0	51	-1.0	-58.46	403.43	9.46	-49.00
CC1=CC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300008038178	0	51	-1.0	-54.14	407.39	9.17	-44.97
O=C([O-])C1=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=CS1	REAL300008038179	0	45	-1.0	-47.50	369.70	8.28	-39.22
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038180	0	48	-1.0	-56.95	385.85	8.55	-48.40
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C1	REAL300008038181	0	48	-1.0	-49.89	384.07	8.44	-41.45
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038182	0	48	-1.0	-50.11	372.72	9.23	-40.88
O=C([O-])C1=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=CN1	REAL300008038183	0	46	-1.0	-51.68	376.23	6.28	-45.40
O=C([O-])CN1C=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=N1	REAL300008038184	0	48	-1.0	-52.36	388.35	6.52	-45.84
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)S1	REAL300008038185	0	45	-1.0	-49.58	376.53	7.60	-41.98
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038186	0	45	-1.0	-55.92	356.48	5.27	-50.65
O=C([O-])C1CCCN(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C1	REAL300008038187	0	53	-1.0	-52.76	403.81	7.85	-44.91
O=C([O-])C1CCN(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)CC1	REAL300008038188	0	53	-1.0	-52.35	401.21	7.81	-44.54
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038189	0	48	-1.0	-50.11	372.72	9.23	-40.88
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)O1	REAL300008038190	0	45	-1.0	-53.14	369.30	6.84	-46.30
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)O1	REAL300008038191	0	48	-1.0	-50.71	389.13	7.36	-43.35
O=C([O-])CCCS(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038192	0	47	-1.0	-52.26	372.65	7.18	-45.08
O=C([O-])C1CCCN1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038193	0	50	-1.0	-44.86	376.01	7.21	-37.65
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C1	REAL300008038194	0	51	-1.0	-57.81	409.99	9.28	-48.53
O=C([O-])C1CCN(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)CC1	REAL300008038195	0	53	-1.0	-52.35	401.21	7.81	-44.54
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038196	0	51	-1.0	-61.32	406.05	9.10	-52.22
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)O1	REAL300008038197	0	45	-1.0	-53.14	369.30	6.84	-46.30
O=C([O-])CCCS(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038198	0	47	-1.0	-52.26	372.65	7.18	-45.08
O=C([O-])C1=CSC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038199	0	45	-1.0	-50.12	381.40	7.56	-42.56
CC1=CC=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1C(=O)[O-]	REAL300008038200	0	51	-1.0	-53.88	400.58	9.55	-44.33
O=C([O-])C1=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=CS1	REAL300008038201	0	45	-1.0	-51.90	377.74	7.61	-44.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038202	0	51	-1.0	-49.45	392.50	9.12	-40.33
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C1	REAL300008038203	0	51	-1.0	-49.80	406.26	9.21	-40.59
O=C([O-])C1=COC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038204	0	45	-1.0	-50.05	373.48	6.69	-43.36
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038205	0	51	-1.0	-53.26	408.05	9.33	-43.93
CC1=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C(C(=O)[O-])O1	REAL300008038206	0	48	-1.0	-57.39	390.27	7.64	-49.75
O=C([O-])C1=CN=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038207	0	47	-1.0	-49.83	382.51	6.73	-43.10
O=C([O-])C1=NSC=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038208	0	44	-1.0	-51.67	364.87	6.85	-44.82
O=C([O-])C1=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)SC=N1	REAL300008038209	0	44	-1.0	-66.40	366.98	6.17	-60.23
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038210	0	47	-1.0	-53.35	369.54	7.45	-45.90
O=C([O-])CCCCCS(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038211	0	53	-1.0	-53.34	415.65	8.74	-44.60
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=N1	REAL300008038212	0	47	-1.0	-52.89	382.77	6.73	-46.16
CC1=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300008038213	0	51	-1.0	-49.53	402.86	9.10	-40.43
CN(CCC(=O)[O-])S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038214	0	49	-1.0	-48.69	385.52	6.69	-42.00
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038215	0	48	-1.0	-49.52	385.82	9.10	-40.42
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C1	REAL300008038216	0	51	-1.0	-57.81	409.99	9.28	-48.53
CC1=CC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300008038217	0	51	-1.0	-54.14	407.39	9.17	-44.97
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038218	0	51	-1.0	-58.46	403.43	9.46	-49.00
O=C([O-])CC1(CS(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)CC1	REAL300008038219	0	51	-1.0	-48.53	393.41	8.31	-40.22
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038220	0	51	-1.0	-53.26	408.05	9.33	-43.93
CCC1=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C(C(=O)[O-])O1	REAL300008038221	0	51	-1.0	-55.91	408.05	8.32	-47.59
CC1=NC=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300008038222	0	50	-1.0	-47.28	398.36	7.24	-40.04
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038223	0	48	-1.0	-53.48	373.33	6.73	-46.75
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038224	0	48	-1.0	-53.69	391.18	7.54	-46.15
O=C([O-])C1=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)OC=C1	REAL300008038225	0	45	-1.0	-60.90	369.53	6.97	-53.93
O=C([O-])C1(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)CCC1	REAL300008038226	0	48	-1.0	-43.72	358.79	7.30	-36.42
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038227	0	45	-1.0	-55.92	356.48	5.27	-50.65
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038228	0	48	-1.0	-53.48	373.33	6.73	-46.75
O=C([O-])C1=CC=NC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038229	0	47	-1.0	-50.64	383.46	6.66	-43.98
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038230	0	51	-1.0	-56.16	396.00	9.56	-46.60
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038231	0	45	-1.0	-47.55	384.17	7.13	-40.42
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038231	1	44	-2.0	-97.02	378.66	6.97	-90.05
O=C([O-])C1=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=CC=N1	REAL300008038232	0	47	-1.0	-58.04	383.48	6.75	-51.29
O=C([O-])C1=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=NN1	REAL300008038233	0	45	-1.0	-45.82	367.56	4.62	-41.20
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038234	0	48	-1.0	-55.28	380.60	6.04	-49.24
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C1	REAL300008038235	0	48	-1.0	-53.47	376.22	7.70	-45.77
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)C1	REAL300008038236	0	51	-1.0	-54.94	393.56	8.26	-46.68
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)S1	REAL300008038237	0	48	-1.0	-50.53	396.56	8.27	-42.26
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038238	0	51	-1.0	-57.21	395.86	9.53	-47.68
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038239	0	48	-1.0	-54.34	379.24	7.67	-46.67
O=C([O-])C1CCCCN1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038240	0	53	-1.0	-50.70	389.45	8.42	-42.28
O=C([O-])C1=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=NN1	REAL300008038241	0	45	-1.0	-45.82	367.56	4.62	-41.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038242	0	50	-1.0	-45.88	383.50	7.23	-38.65
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038243	0	45	-1.0	-55.92	356.48	5.27	-50.65
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038244	0	48	-1.0	-58.91	362.50	8.08	-50.83
CC1=CC(S(=O)(=O)NC2CCCC(C3=CC=CC=C3)CC2)=CN=C1C(=O)[O-]	REAL300008038245	0	50	-1.0	-53.18	399.32	7.29	-45.89
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038246	0	51	-1.0	-57.21	395.86	9.53	-47.68
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC1CCCC(C2=CC=CC=C2)CC1	REAL300008038247	0	47	-1.0	-44.72	373.60	7.64	-37.08
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300008038248	0	43	-1.0	-53.54	355.66	6.36	-47.18
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300008038249	0	38	-1.0	-58.39	326.43	4.32	-54.07
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300008038250	0	34	-1.0	-55.17	310.30	5.20	-49.97
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008038251	0	35	-1.0	-53.71	321.56	4.14	-49.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008038252	0	37	-1.0	-59.28	337.69	1.29	-57.99
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008038253	0	35	-1.0	-49.51	322.75	3.58	-45.93
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300008038254	0	42	-1.0	-56.66	348.07	3.80	-52.86
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300008038255	0	34	-1.0	-51.76	305.76	5.10	-46.66
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008038256	0	47	-1.0	-53.12	378.62	7.59	-45.53
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008038257	0	37	-1.0	-53.52	321.27	2.94	-50.58
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008038258	0	31	-1.0	-54.04	290.87	4.44	-49.60
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008038259	0	31	-1.0	-50.86	298.08	4.41	-46.45
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038260	0	36	-1.0	-58.18	309.27	6.08	-52.10
CCC[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008038261	0	37	-1.0	-54.65	338.61	5.78	-48.87
CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008038262	0	41	-1.0	-65.59	359.67	0.32	-65.27
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300008038263	0	42	-1.0	-56.23	359.60	5.60	-50.63
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008038264	0	37	-1.0	-53.41	323.49	4.31	-49.10
CCC[C@@H](NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300008038265	0	38	-1.0	-54.36	331.83	3.52	-50.84
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300008038266	0	37	-1.0	-51.26	325.87	1.38	-49.88
CCC[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008038267	0	40	-1.0	-66.81	362.02	1.97	-64.84
CCC[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008038268	0	36	-1.0	-69.78	325.60	-0.20	-69.98
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300008038269	0	41	-1.0	-54.58	334.58	4.54	-50.04
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008038270	0	36	-1.0	-57.26	335.21	4.26	-53.00
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008038271	0	34	-1.0	-55.52	321.67	5.11	-50.41
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008038272	0	36	-1.0	-53.43	317.68	4.16	-49.27
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300008038273	0	48	-1.0	-59.50	414.76	2.97	-56.53
CCC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300008038274	0	40	-1.0	-56.80	347.35	4.98	-51.82
CCC[C@@H](NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300008038275	0	40	-1.0	-55.12	332.88	3.60	-51.52
CCC[C@@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300008038276	0	40	-1.0	-62.27	342.52	4.79	-57.48
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008038277	0	43	-1.0	-56.62	321.24	5.99	-50.63
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300008038278	0	44	-1.0	-58.65	379.49	6.67	-51.98
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008038279	0	39	-1.0	-68.40	343.18	3.19	-65.21
CCC[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300008038280	0	37	-1.0	-51.45	344.65	4.96	-46.49
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300008038281	0	39	-1.0	-53.07	347.05	3.49	-49.58
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300008038282	0	39	-1.0	-43.69	353.69	3.62	-40.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300008038283	0	34	-1.0	-51.03	316.26	4.98	-46.05
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008038284	0	37	-1.0	-52.93	330.68	6.49	-46.44
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008038285	0	36	-1.0	-50.41	322.68	5.21	-45.20
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008038286	0	35	-1.0	-53.37	322.22	3.43	-49.94
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008038287	0	38	-1.0	-53.82	341.36	5.13	-48.69
CCC[C@@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300008038288	0	46	-1.0	-51.32	366.36	4.65	-46.67
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008038289	0	34	-1.0	-53.07	309.17	4.64	-48.43
CCC[C@@H](NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300008038290	0	42	-1.0	-48.71	358.22	3.36	-45.35
CC1=NC=C(S(=O)(=O)N2CCCC23CCCOC3)C=C1C(=O)[O-]	REAL300008043001	0	42	-1.0	-49.12	325.87	4.91	-44.21
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043002	0	44	-1.0	-51.39	332.51	5.88	-45.51
COC1=CC(S(=O)(=O)N2CCCC23CCCOC3)=CC=C1C(=O)[O-]	REAL300008043003	0	44	-1.0	-55.82	341.96	6.31	-49.51
COC1=CC=C(S(=O)(=O)N2CCCC23CCCOC3)C(CC(=O)[O-])=C1	REAL300008043004	0	47	-1.0	-70.29	351.39	6.52	-63.77
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC23CCCOC3)C=C1F	REAL300008043005	0	43	-1.0	-50.39	342.25	7.04	-43.35
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC23CCCOC3)=C1	REAL300008043006	0	43	-1.0	-49.61	353.40	7.20	-42.41
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCCC23CCCOC3)C=C1	REAL300008043007	0	49	-1.0	-52.43	367.66	7.88	-44.55
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043008	0	40	-1.0	-54.83	302.73	4.49	-50.34
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCCC34CCCOC4)C=CC=C12	REAL300008043009	0	46	-1.0	-52.65	336.44	7.93	-44.72
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCCC23CCCOC3)=C1	REAL300008043010	0	40	-1.0	-54.81	317.28	5.20	-49.61
O=C([O-])C1=CC(S(=O)(=O)N2CCCC23CCCOC3)=CC=C1Cl	REAL300008043011	0	40	-1.0	-54.47	327.16	6.61	-47.86
O=C([O-])C1=C(S(=O)(=O)N2CCCC23CCCOC3)OC=C1	REAL300008043012	0	37	-1.0	-68.02	292.83	4.62	-63.40
O=C([O-])C1(S(=O)(=O)N2CCCC23CCCOC3)CCC1	REAL300008043013	0	40	-1.0	-43.02	285.70	5.13	-37.89
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCCC23CCCOC3)=C1	REAL300008043014	0	44	-1.0	-67.84	329.55	6.20	-61.64
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043015	0	37	-1.0	-59.40	290.65	3.27	-56.13
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043016	0	40	-1.0	-54.83	302.73	4.49	-50.34
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC23CCCOC3)C=C1C(=O)[O-]	REAL300008043017	0	42	-2.0	-139.81	341.31	7.13	-132.68
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043018	0	47	-1.0	-58.44	344.33	5.69	-52.75
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCCC23CCCOC3)=C1	REAL300008043019	0	39	-1.0	-52.30	310.60	4.36	-47.94
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCCC12CCCOC2	REAL300008043020	0	43	-1.0	-64.15	321.78	7.35	-56.80
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCCC23CCCOC3)=C1	REAL300008043021	0	37	-1.0	-49.57	314.23	4.89	-44.68
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC23CCCOC3)C2=CC=CC=C12	REAL300008043022	0	46	-1.0	-53.03	336.04	7.92	-45.11
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043023	0	47	-1.0	-58.00	351.01	6.71	-51.29
COC1=CC=C(S(=O)(=O)N2CCCC23CCCOC3)C(C(=O)[O-])=C1	REAL300008043024	0	44	-1.0	-72.48	329.33	6.22	-66.26
O=C([O-])C1=CC(S(=O)(=O)N2CCCC23CCCOC3)=CC=N1	REAL300008043025	0	39	-1.0	-58.20	310.72	4.45	-53.75
O=C([O-])C1=CC(S(=O)(=O)N2CCCC23CCCOC3)=NN1	REAL300008043026	0	37	-1.0	-47.68	297.88	2.48	-45.20
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043027	0	40	-1.0	-57.10	303.72	3.58	-53.52
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCCC34CCCOC4)C=C2C=C1	REAL300008043028	0	46	-1.0	-52.79	360.56	8.48	-44.31
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCCC23CCCOC3)C1	REAL300008043029	0	40	-1.0	-56.45	300.29	5.33	-51.12
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCCC23CCCOC3)C1	REAL300008043030	0	43	-1.0	-57.64	313.79	5.66	-51.98
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC23CCCOC3)S1	REAL300008043031	0	40	-1.0	-55.14	317.15	5.76	-49.38
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043032	0	46	-1.0	-75.25	345.61	9.13	-66.12
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCCC23CCCOC3)=C1	REAL300008043033	0	43	-1.0	-50.09	317.90	6.77	-43.32
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043034	0	43	-1.0	-50.71	297.58	5.84	-44.87
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CCCC13CCCOC3)=C2	REAL300008043035	0	40	-1.0	-50.14	344.34	6.83	-43.31
O=C([O-])C1=NC(S(=O)(=O)N2CCCC23CCCOC3)=C2C=CC=CN21	REAL300008043036	0	43	-1.0	-65.80	338.86	4.73	-61.07
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCCC34CCCOC4)=C2C=C1	REAL300008043037	0	43	-1.0	-46.98	336.23	8.02	-38.96
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCCC12CCCOC2	REAL300008043038	0	40	-1.0	-57.11	306.60	5.61	-51.50
O=C([O-])C1CCCCN1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043039	0	45	-1.0	-61.55	315.69	5.96	-55.59
O=C([O-])C1=CC(S(=O)(=O)N2CCCC23CCCOC3)=NN1	REAL300008043040	0	37	-1.0	-47.68	297.88	2.48	-45.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043041	0	42	-1.0	-45.33	291.38	4.35	-40.98
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043042	0	37	-1.0	-59.40	290.65	3.27	-56.13
O=C([O-])C1=C(S(=O)(=O)N2CCCC23CCCOC3)C=C(Cl)S1	REAL300008043043	0	37	-1.0	-46.58	302.70	6.06	-40.52
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043044	0	40	-1.0	-63.09	290.51	5.89	-57.20
CC1=CC(S(=O)(=O)N2CCCC23CCCOC3)=CN=C1C(=O)[O-]	REAL300008043045	0	42	-1.0	-52.82	327.25	4.99	-47.83
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043046	0	43	-1.0	-50.71	297.58	5.84	-44.87
CCOC1=CC=C(S(=O)(=O)N2CCCC23CCCOC3)C=C1C(=O)[O-]	REAL300008043047	0	47	-1.0	-62.10	363.79	7.21	-54.89
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCCC34CCCOC4)C=C2C1	REAL300008043048	0	47	-1.0	-51.29	360.00	8.11	-43.18
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCCC12CCCOC2	REAL300008043049	0	39	-1.0	-47.92	287.90	4.44	-43.48
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCCC34CCCOC4)C=C2C=C1	REAL300008043050	0	45	-1.0	-55.61	356.41	6.61	-49.00
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(F)=C3)[C@@H]2C1	REAL300008043051	0	36	-1.0	-55.68	305.17	5.30	-50.38
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043052	0	41	-1.0	-63.97	339.24	5.63	-58.34
CCCCN(C)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043053	0	43	-1.0	-54.21	333.24	5.38	-48.83
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CS3)[C@@H]2C1	REAL300008043054	0	33	-1.0	-53.84	291.56	4.26	-49.58
CCC(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043055	0	48	-1.0	-55.25	371.49	8.37	-46.88
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)S1	REAL300008043056	0	36	-1.0	-50.63	312.37	5.06	-45.57
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(Cl)S3)[C@@H]2C1	REAL300008043057	0	33	-1.0	-51.48	308.38	4.88	-46.60
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043058	0	43	-1.0	-54.43	348.75	5.74	-48.69
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043059	0	39	-1.0	-48.50	322.42	7.04	-41.46
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3OC(F)(F)F)[C@@H]2C1	REAL300008043060	0	40	-1.0	-53.90	343.90	5.54	-48.36
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCOCC3)[C@@H]2C1	REAL300008043061	0	39	-1.0	-50.80	307.57	2.01	-48.79
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043062	0	42	-1.0	-61.87	353.51	3.30	-58.57
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(OC(F)(F)F)=C3)[C@@H]2C1	REAL300008043063	0	40	-1.0	-54.45	344.78	5.04	-49.41
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1OC	REAL300008043064	0	47	-1.0	-51.25	359.68	5.60	-45.65
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043065	0	39	-1.0	-49.11	329.93	6.67	-42.44
CN(C1CCCCC1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043066	0	47	-1.0	-49.48	353.61	5.61	-43.87
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043067	0	42	-1.0	-58.44	327.52	4.77	-53.67
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C4CCCCC4)C=C3)[C@@H]2C1	REAL300008043068	0	52	-1.0	-55.00	394.67	9.59	-45.41
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4OCCOC4=C3)[C@@H]2C1	REAL300008043069	0	42	-1.0	-55.24	342.67	4.36	-50.88
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043070	0	42	-1.0	-51.48	341.94	6.71	-44.77
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3Br)[C@@H]2C1	REAL300008043071	0	36	-1.0	-52.44	315.57	6.03	-46.41
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(Br)=C3)[C@@H]2C1	REAL300008043072	0	36	-1.0	-55.02	320.06	5.86	-49.16
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043073	0	41	-1.0	-65.09	331.41	7.54	-57.55
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3=CC=CC(Cl)=C3)[C@@H]2C1	REAL300008043074	0	42	-1.0	-52.76	360.60	7.28	-45.48
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043075	0	46	-1.0	-61.17	382.63	1.82	-59.35
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043076	0	47	-1.0	-59.75	375.41	7.61	-52.14
CC1=CC(F)=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043077	0	39	-1.0	-50.25	326.60	5.99	-44.26
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4OC3)[C@@H]2C1	REAL300008043078	0	42	-1.0	-53.91	344.25	5.77	-48.14
COCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043079	0	43	-1.0	-52.46	354.11	5.00	-47.46
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043080	0	42	-1.0	-53.83	347.31	2.83	-51.00
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043081	0	45	-1.0	-62.95	384.07	3.47	-59.48
CS(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043082	0	41	-1.0	-64.49	348.34	1.30	-63.19
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1C	REAL300008043083	0	46	-1.0	-52.32	346.27	6.32	-46.00
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=C(Br)C=C3)[C@@H]2C1	REAL300008043084	0	39	-1.0	-53.08	344.18	6.61	-46.47
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CN=C4C=C3)[C@@H]2C1	REAL300008043085	0	41	-1.0	-57.15	339.98	5.69	-51.46
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=NOC=C3)[C@@H]2C1	REAL300008043086	0	35	-1.0	-63.62	297.53	3.22	-60.40
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=NN1C	REAL300008043087	0	39	-1.0	-53.73	321.84	3.46	-50.27
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)CC1	REAL300008043088	0	46	-1.0	-60.81	371.39	0.90	-59.91
CN(C1CCOCC1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043089	0	45	-1.0	-53.64	337.19	3.78	-49.86
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CC4CCC3C4)[C@@H]2C1	REAL300008043090	0	42	-1.0	-55.59	319.03	5.28	-50.31
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=NN1C1=CC=CC=N1	REAL300008043091	0	45	-1.0	-56.22	372.54	6.58	-49.64
CCN1N=C(C)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1C	REAL300008043092	0	45	-1.0	-54.40	354.69	5.07	-49.33
CC(C)N1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043093	0	42	-1.0	-52.52	338.19	4.88	-47.64
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043094	0	45	-1.0	-66.08	357.94	7.05	-59.03
CC(C)N1C=NC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043095	0	42	-1.0	-55.06	342.85	5.80	-49.26
CC(C)C1=NC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CN1	REAL300008043096	0	42	-1.0	-66.86	337.27	4.23	-62.63
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043097	0	48	-1.0	-56.60	343.12	8.09	-48.51
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043098	0	44	-1.0	-62.20	365.18	4.64	-57.56
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CCCOC3)[C@@H]2C1	REAL300008043099	0	43	-1.0	-53.55	333.20	4.02	-49.53
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1OC	REAL300008043100	0	44	-1.0	-54.39	370.39	5.03	-49.36
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1Br	REAL300008043101	0	39	-1.0	-52.88	337.71	6.40	-46.48
CC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043102	0	39	-1.0	-53.48	319.33	6.19	-47.29
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(Cl)C4=CC=CC=C43)[C@@H]2C1	REAL300008043103	0	42	-1.0	-53.13	353.94	8.01	-45.12
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OC(F)F)C(F)=C3)[C@@H]2C1	REAL300008043104	0	40	-1.0	-55.51	343.71	4.86	-50.65
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C([N+](=O)[O-])C4=CC=CN=C43)[C@@H]2C1	REAL300008043105	0	43	-1.0	-55.47	364.41	6.46	-49.01
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043106	0	51	-1.0	-56.10	387.59	6.13	-49.97
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(F)F)C=C3)[C@@H]2C1	REAL300008043107	0	39	-1.0	-54.42	333.21	6.20	-48.22
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043108	0	47	-1.0	-58.09	382.83	4.74	-53.35
COCCC(C)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043109	0	42	-1.0	-56.77	321.71	4.01	-52.76
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043110	0	40	-1.0	-55.48	334.14	5.11	-50.37
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043111	0	47	-1.0	-55.63	379.45	5.82	-49.81
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC4(CCCCC4)CC3)[C@@H]2C1	REAL300008043112	0	54	-1.0	-53.72	379.03	7.36	-46.36
CC1=NC2=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=CC=C2C=C1	REAL300008043113	0	44	-1.0	-62.37	360.13	6.46	-55.91
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3=CC=CC=C3[N+](=O)[O-])[C@@H]2C1	REAL300008043114	0	44	-1.0	-65.76	362.78	7.09	-58.67
CCN(CC1CC1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043115	0	44	-1.0	-53.32	342.78	5.49	-47.83
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(C4CCOCC4)N=C3)[C@@H]2C1	REAL300008043116	0	47	-1.0	-57.62	370.75	4.35	-53.27
CCCN1C=NC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043117	0	42	-1.0	-66.04	340.76	6.55	-59.49
COCCOCCOCCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043118	0	50	-1.0	-56.46	407.27	2.57	-53.89
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCOCC3CC3)[C@@H]2C1	REAL300008043119	0	43	-1.0	-52.39	349.66	4.57	-47.82
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043120	0	52	-1.0	-51.35	400.26	6.67	-44.68
COCC(C)CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043121	0	42	-1.0	-51.26	333.48	3.63	-47.63
CCOCC(C)CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043122	0	45	-1.0	-51.47	355.33	4.60	-46.87
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043123	0	43	-1.0	-53.10	367.60	5.55	-47.55
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(C4CCOC4)N=C3)[C@@H]2C1	REAL300008043124	0	44	-1.0	-54.66	358.10	3.08	-51.58
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC(F)=CC=C3OC(F)F)[C@@H]2C1	REAL300008043125	0	40	-1.0	-52.98	343.87	5.38	-47.60
COC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC=C1[N+](=O)[O-]	REAL300008043126	0	42	-1.0	-54.86	353.71	5.95	-48.91
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043127	0	42	-1.0	-49.61	351.96	7.15	-42.46
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043128	0	42	-1.0	-52.71	352.90	7.04	-45.67
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC=C1C(F)(F)F	REAL300008043129	0	42	-1.0	-52.63	352.54	6.73	-45.90
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043130	0	45	-1.0	-54.48	353.15	7.33	-47.15
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCCN3CCOCC3)[C@@H]2C1	REAL300008043131	0	48	-1.0	-53.89	372.79	2.25	-51.64
CCOC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043132	0	43	-1.0	-57.04	350.11	5.46	-51.58
COCCN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043133	0	43	-1.0	-56.87	358.94	2.89	-53.98
CC(C)(C)CCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043134	0	44	-1.0	-50.63	339.73	5.49	-45.14
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OCC(F)F)C=C3)[C@@H]2C1	REAL300008043135	0	43	-1.0	-61.24	357.16	6.31	-54.93
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3=CC=C([N+](=O)[O-])C=C3)[C@@H]2C1	REAL300008043136	0	44	-1.0	-57.85	372.83	7.43	-50.42
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4N=C3)[C@@H]2C1	REAL300008043137	0	41	-1.0	-56.92	339.92	5.60	-51.32
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC(Br)=C3)[C@@H]2C1	REAL300008043138	0	39	-1.0	-59.49	337.22	7.09	-52.40
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC=C3Br)[C@@H]2C1	REAL300008043139	0	39	-1.0	-51.84	339.92	6.58	-45.26
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4CCS(=O)(=O)C4=C3)[C@@H]2C1	REAL300008043140	0	43	-1.0	-70.36	363.69	3.09	-67.27
CC1CCN(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C1	REAL300008043141	0	41	-1.0	-54.92	315.78	4.64	-50.28
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043142	0	39	-1.0	-49.84	341.49	6.53	-43.31
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043143	0	39	-1.0	-52.74	332.06	6.67	-46.07
COCC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043144	0	43	-1.0	-51.72	342.79	5.33	-46.39
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1Cl	REAL300008043145	0	44	-1.0	-55.58	372.42	4.88	-50.70
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(CC(F)(F)F)N=C3)[C@@H]2C1	REAL300008043146	0	39	-1.0	-52.97	337.57	4.87	-48.10
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(CC(F)F)N=C3)[C@@H]2C1	REAL300008043147	0	39	-1.0	-60.33	337.11	4.17	-56.16
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=CC=C2O1	REAL300008043148	0	47	-1.0	-53.97	376.58	6.57	-47.40
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=C3OC(F)(F)O4)[C@@H]2C1	REAL300008043149	0	39	-1.0	-64.09	333.53	4.86	-59.23
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043150	0	40	-1.0	-51.95	335.13	6.39	-45.56
CCC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043151	0	42	-1.0	-55.45	335.69	7.21	-48.24
CCC1=CC=C(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043152	0	45	-1.0	-53.43	365.78	7.43	-46.00
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3=CC=CS3)[C@@H]2C1	REAL300008043153	0	39	-1.0	-57.17	333.48	5.79	-51.38
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043154	0	45	-1.0	-59.21	380.30	3.62	-55.59
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C	REAL300008043155	0	45	-1.0	-59.38	354.34	7.68	-51.70
CC(C)CN(C)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043156	0	43	-1.0	-54.37	325.81	5.04	-49.33
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC(Cl)=CC=C3OC(F)F)[C@@H]2C1	REAL300008043157	0	40	-1.0	-52.80	354.20	5.84	-46.96
CN(C1CCCC1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043158	0	44	-1.0	-55.70	329.05	5.63	-50.07
CC1(C)CN(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)CCO1	REAL300008043159	0	45	-1.0	-50.09	345.38	3.52	-46.57
CC1=NOC(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043160	0	38	-1.0	-57.40	319.79	4.14	-53.26
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=CC=C21	REAL300008043161	0	48	-1.0	-54.80	389.74	6.84	-47.96
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043162	0	43	-1.0	-61.81	362.46	0.02	-61.79
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)OC2=CC=C(F)C=C12	REAL300008043163	0	42	-1.0	-52.04	352.47	6.48	-45.56
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC(Cl)=CC=C4S3)[C@@H]2C1	REAL300008043164	0	39	-1.0	-51.12	354.64	7.26	-43.86
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=CC(Cl)=CC=C2S1	REAL300008043165	0	42	-1.0	-53.30	362.06	8.10	-45.20
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CSC4=CC=C(Cl)C=C34)[C@@H]2C1	REAL300008043166	0	39	-1.0	-55.26	351.98	7.11	-48.15
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=CC=C(Cl)C=C43)[C@@H]2C1	REAL300008043167	0	42	-1.0	-59.32	356.29	8.09	-51.23
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3CCCO3)[C@@H]2C1	REAL300008043168	0	43	-1.0	-52.64	340.87	4.08	-48.56
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(CC(F)(F)F)C=C3)[C@@H]2C1	REAL300008043169	0	42	-1.0	-52.83	360.03	7.05	-45.78
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3=CC=C4OCCC4=C3)[C@@H]2C1	REAL300008043170	0	47	-1.0	-54.88	379.94	6.62	-48.26
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=CC=CC(C)=C2S1	REAL300008043171	0	45	-1.0	-51.92	369.20	8.28	-43.64
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1N(C)C	REAL300008043172	0	47	-1.0	-51.01	374.54	5.97	-45.04
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=C4OCCCN4N=C3)[C@@H]2C1	REAL300008043173	0	41	-1.0	-60.86	324.13	2.81	-58.05
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCOCC3CCCC3)[C@@H]2C1	REAL300008043174	0	49	-1.0	-52.11	383.35	5.73	-46.38
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1Cl	REAL300008043175	0	43	-1.0	-53.05	359.66	5.89	-47.16
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043176	0	45	-1.0	-71.55	376.63	3.99	-67.56
CSC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1Cl	REAL300008043177	0	40	-1.0	-55.32	353.44	6.69	-48.63
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043178	0	48	-1.0	-55.88	371.91	5.66	-50.22
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=C4ON=C(C5CC5)C4=C3)[C@@H]2C1	REAL300008043179	0	44	-1.0	-56.33	369.42	3.77	-52.56
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=C12	REAL300008043180	0	43	-1.0	-56.89	360.27	2.94	-53.95
CN1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=CN=C21	REAL300008043181	0	41	-1.0	-55.14	342.60	4.33	-50.81
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(CC)=C1	REAL300008043182	0	54	-1.0	-49.11	399.09	9.95	-39.16
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN4CCCCC4=N3)[C@@H]2C1	REAL300008043183	0	43	-1.0	-57.69	341.06	5.75	-51.94
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OCC(F)(F)F)N=C3)[C@@H]2C1	REAL300008043184	0	42	-1.0	-53.89	366.90	3.30	-50.59
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3CN3C=NC=N3)[C@@H]2C1	REAL300008043185	0	45	-1.0	-56.33	352.63	9.33	-47.00
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1F	REAL300008043186	0	43	-1.0	-54.53	347.78	5.47	-49.06
CC1(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)CCCCC1	REAL300008043187	0	48	-1.0	-49.92	349.48	6.82	-43.10
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4OCC3)[C@@H]2C1	REAL300008043188	0	45	-1.0	-54.91	355.47	7.22	-47.69
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043189	0	54	0.0	-83.54	412.63	6.37	-77.17
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=C(C4=CC=CC=C4)N=C3)[C@@H]2C1	REAL300008043190	0	44	-1.0	-55.71	368.41	6.59	-49.12
CN1N=NC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043191	0	35	-1.0	-53.14	283.44	2.11	-51.03
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043192	0	43	-1.0	-50.80	370.59	5.48	-45.32
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(F)=C1	REAL300008043193	0	42	-1.0	-55.49	349.91	6.73	-48.76
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043194	0	48	0.0	-79.04	377.41	7.17	-71.87
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(F)(F)F)S3)[C@@H]2C1	REAL300008043195	0	36	-1.0	-49.14	331.13	5.45	-43.69
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3CC4=CC=CC=C4C3)[C@@H]2C1	REAL300008043196	0	49	-1.0	-53.88	387.86	8.56	-45.32
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=NO1	REAL300008043197	0	47	-1.0	-54.35	380.98	5.99	-48.36
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3CCC3)[C@@H]2C1	REAL300008043198	0	42	-1.0	-51.82	332.70	5.83	-45.99
CC(C)(C)CCCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043199	0	47	-1.0	-51.76	360.70	6.22	-45.54
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CCCS(=O)(=O)C3)[C@@H]2C1	REAL300008043200	0	45	-1.0	-63.77	360.75	2.46	-61.31
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC(F)=CC=C4O3)[C@@H]2C1	REAL300008043201	0	39	-1.0	-52.62	335.09	5.76	-46.86
O=C([O-])C1C[C@@H]2C[C@H]([N-]S(=O)(=O)C3=CC4=CC(F)=CC=C4O3)[C@@H]2C1	REAL300008043201	1	38	-2.0	-101.69	334.26	5.55	-96.14
CC1=C(CCS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)SC=N1	REAL300008043202	0	41	-1.0	-54.24	348.30	4.51	-49.73
COCC1(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)CC1	REAL300008043203	0	40	-1.0	-50.60	321.36	4.48	-46.12
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC34CCC(CC3)C4)[C@@H]2C1	REAL300008043204	0	46	-1.0	-58.34	347.17	6.65	-51.69
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CC(F)(F)C3)[C@@H]2C1	REAL300008043205	0	39	-1.0	-60.63	323.31	5.14	-55.49
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)CCC2=C1	REAL300008043206	0	48	-1.0	-53.75	382.90	7.01	-46.74
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC34CCC(CC3)CC4)[C@@H]2C1	REAL300008043207	0	49	-1.0	-58.36	355.34	7.22	-51.14
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3CCOC3)[C@@H]2C1	REAL300008043208	0	43	-1.0	-52.66	339.40	3.84	-48.82
CC(C)(CCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21)S(C)(=O)=O	REAL300008043209	0	47	-1.0	-59.43	371.86	2.38	-57.05
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CCCCC3(F)F)[C@@H]2C1	REAL300008043210	0	45	-1.0	-55.09	346.14	6.93	-48.16
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)[C@@H]3C[C@H]3C3=CC=CC=C3)[C@@H]2C1	REAL300008043211	0	43	-1.0	-58.58	350.16	7.38	-51.20
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1[N+](=O)[O-]	REAL300008043212	0	44	-1.0	-58.70	362.82	7.20	-51.50
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(Cl)C=C3)[C@@H]2C1	REAL300008043213	0	36	-1.0	-52.53	309.54	6.30	-46.23
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(Br)C=C3)[C@@H]2C1	REAL300008043214	0	36	-1.0	-52.47	314.11	6.40	-46.07
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3)[C@@H]2C1	REAL300008043215	0	38	-1.0	-51.98	321.04	6.45	-45.53
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)[C@@H]2C1	REAL300008043216	0	42	-1.0	-53.52	344.89	7.59	-45.93
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC([N+](=O)[O-])=C3)[C@@H]2C1	REAL300008043217	0	38	-1.0	-59.68	326.98	5.90	-53.78
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043218	0	41	-1.0	-53.58	341.59	6.81	-46.77
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043219	0	40	-1.0	-56.12	322.30	5.07	-51.05
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])[C@@H]2C1	REAL300008043220	0	38	-1.0	-61.58	316.49	6.75	-54.83
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043221	0	39	-1.0	-51.78	321.00	5.98	-45.80
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043222	0	43	-1.0	-55.85	344.15	5.99	-49.86
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1C	REAL300008043223	0	48	-1.0	-55.74	355.85	8.52	-47.22
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1	REAL300008043224	0	45	-1.0	-50.79	347.62	7.56	-43.23
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043225	0	51	-1.0	-51.60	377.22	8.72	-42.88
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(C(F)(F)F)=C3)[C@@H]2C1	REAL300008043226	0	39	-1.0	-58.12	331.52	6.78	-51.34
CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043227	0	39	-1.0	-56.58	314.19	6.45	-50.13
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C=CC3=CC=CC=C3)[C@@H]2C1	REAL300008043228	0	40	-1.0	-55.68	330.82	6.44	-49.24
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3C(F)(F)F)[C@@H]2C1	REAL300008043229	0	39	-1.0	-58.73	315.72	6.69	-52.04
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(Cl)=C3)[C@@H]2C1	REAL300008043230	0	36	-1.0	-55.08	315.50	5.75	-49.33
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043231	0	41	-1.0	-61.01	334.03	6.18	-54.83
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043232	0	42	-1.0	-53.58	335.58	6.71	-46.87
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C	REAL300008043233	0	42	-1.0	-56.31	331.27	6.97	-49.34
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1	REAL300008043234	0	42	-1.0	-50.34	334.63	6.82	-43.52
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1[N+](=O)[O-]	REAL300008043235	0	42	-1.0	-55.03	355.27	6.06	-48.97
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043236	0	48	-1.0	-55.30	369.02	8.10	-47.20
CC(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043237	0	45	-1.0	-55.42	353.04	7.71	-47.71
CCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043238	0	45	-1.0	-51.28	363.42	7.49	-43.79
COC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043239	0	40	-1.0	-52.19	327.41	5.05	-47.14
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC=C3)[C@@H]2C1	REAL300008043240	0	39	-1.0	-53.66	322.88	5.98	-47.68
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC=C1Br	REAL300008043241	0	39	-1.0	-52.84	332.34	6.95	-45.89
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OC(F)(F)F)C=C3)[C@@H]2C1	REAL300008043242	0	40	-1.0	-50.98	338.79	5.56	-45.42
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1C	REAL300008043243	0	51	-1.0	-54.07	372.01	8.32	-45.75
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4OCCCOC4=C3)[C@@H]2C1	REAL300008043244	0	45	-1.0	-52.20	362.57	5.27	-46.93
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043245	0	52	-1.0	-56.32	403.91	7.36	-48.96
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1[N+](=O)[O-]	REAL300008043246	0	41	-1.0	-58.79	344.68	6.55	-52.24
CC1=NNC(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043247	0	39	-1.0	-55.07	311.46	2.95	-52.12
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043248	0	54	-1.0	-51.25	401.69	9.14	-42.11
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(F)(F)F)C=C3)[C@@H]2C1	REAL300008043249	0	39	-1.0	-51.40	338.32	6.31	-45.09
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4CCCCC4=C3)[C@@H]2C1	REAL300008043250	0	46	-1.0	-52.28	361.63	7.79	-44.49
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043251	0	44	-1.0	-54.43	356.90	4.33	-50.10
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1OC	REAL300008043252	0	44	-1.0	-55.25	356.96	4.41	-50.84
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4CCCC4=C3)[C@@H]2C1	REAL300008043253	0	43	-1.0	-52.49	344.72	7.23	-45.26
CC1=NOC(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043254	0	38	-1.0	-48.20	304.14	4.68	-43.52
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4CC3)[C@@H]2C1	REAL300008043255	0	44	-1.0	-52.21	353.51	7.72	-44.49
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4OCCC4=C3)[C@@H]2C1	REAL300008043256	0	41	-1.0	-54.80	334.14	5.06	-49.74
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043257	0	51	-1.0	-51.16	402.50	8.77	-42.39
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1OCC	REAL300008043258	0	50	-1.0	-54.78	400.65	6.25	-48.53
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043259	0	41	-1.0	-58.31	353.28	0.22	-58.09
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC([N+](=O)[O-])=C1C	REAL300008043260	0	44	-1.0	-53.93	360.11	6.95	-46.98
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1C	REAL300008043261	0	44	-1.0	-49.25	359.06	7.37	-41.88
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCCCCC3)[C@@H]2C1	REAL300008043262	0	44	-1.0	-55.21	328.27	5.24	-49.97
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=C2N=C1	REAL300008043263	0	44	-1.0	-61.63	359.96	6.50	-55.13
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C([N+](=O)[O-])=C1	REAL300008043264	0	42	-1.0	-61.72	345.06	6.01	-55.71
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043265	0	40	-1.0	-51.64	343.28	5.52	-46.12
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043266	0	41	-1.0	-59.02	352.32	0.17	-58.85
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043267	0	44	-1.0	-58.06	358.14	7.25	-50.81
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCCCC3)[C@@H]2C1	REAL300008043268	0	41	-1.0	-54.09	315.00	4.34	-49.75
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC4=CC=CC=C4C3)[C@@H]2C1	REAL300008043269	0	45	-1.0	-52.00	351.40	6.40	-45.60
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=CC=CN=C12	REAL300008043270	0	44	-1.0	-54.22	355.33	6.59	-47.63
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C	REAL300008043271	0	44	-1.0	-62.11	358.12	8.01	-54.10
CC1CCN(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)CC1	REAL300008043272	0	44	-1.0	-54.53	329.46	5.46	-49.07
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CNC(C(=O)N4CCCC4)=C3)[C@@H]2C1	REAL300008043273	0	48	-1.0	-60.61	384.52	4.57	-56.04
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043274	0	42	-1.0	-59.27	353.56	3.28	-55.99
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3C3=CC=CC=C3)[C@@H]2C1	REAL300008043275	0	46	-1.0	-59.46	369.80	8.85	-50.61
CC1CC(C)CN(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C1	REAL300008043276	0	47	-1.0	-49.58	355.65	5.54	-44.04
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=CC=CC=C43)[C@@H]2C1	REAL300008043277	0	42	-1.0	-56.96	339.58	7.58	-49.38
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C4=CC=CC=C4)C=C3)[C@@H]2C1	REAL300008043278	0	46	-1.0	-56.62	366.98	9.18	-47.44
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043279	0	39	-1.0	-48.58	307.53	6.48	-42.10
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=CC=C12	REAL300008043280	0	50	-1.0	-55.94	382.35	7.82	-48.12
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=NSN=C43)[C@@H]2C1	REAL300008043281	0	37	-1.0	-59.72	323.00	3.55	-56.17
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043282	0	40	-1.0	-55.14	344.47	5.57	-49.57
COC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043283	0	40	-1.0	-57.18	328.29	4.54	-52.64
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043284	0	51	-1.0	-55.11	383.24	8.57	-46.54
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1Cl	REAL300008043285	0	39	-1.0	-52.88	333.68	6.32	-46.56
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043286	0	46	-1.0	-54.33	362.08	6.62	-47.71
CCC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043287	0	42	-1.0	-53.42	331.22	7.05	-46.37
CC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043288	0	39	-1.0	-54.02	313.57	6.12	-47.90
CC1=NC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CN1C	REAL300008043289	0	39	-1.0	-55.24	322.90	4.20	-51.04
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC(Cl)=C3)[C@@H]2C1	REAL300008043290	0	39	-1.0	-59.50	332.65	6.98	-52.52
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=NON=C43)[C@@H]2C1	REAL300008043291	0	37	-1.0	-56.02	307.44	4.06	-51.96
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=CC=CN=C43)[C@@H]2C1	REAL300008043292	0	41	-1.0	-61.77	338.55	5.87	-55.90
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043293	0	42	-1.0	-51.88	354.77	5.67	-46.21
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1F	REAL300008043294	0	40	-1.0	-56.69	333.95	4.59	-52.10
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1F	REAL300008043295	0	39	-1.0	-53.11	324.94	5.92	-47.19
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043296	0	42	-1.0	-59.63	343.01	6.60	-53.03
CC1CCCCN1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043297	0	44	-1.0	-53.60	329.47	5.34	-48.26
CCCN(CCC)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043298	0	46	-1.0	-49.65	351.27	5.30	-44.35
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=C(Cl)C(Cl)=C3)[C@@H]2C1	REAL300008043299	0	39	-1.0	-51.63	355.11	6.99	-44.64
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=CC=CC=C12	REAL300008043300	0	46	-1.0	-55.97	367.90	6.94	-49.03
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043301	0	41	-1.0	-51.47	341.45	6.82	-44.65
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043302	0	41	-1.0	-55.95	337.53	6.57	-49.38
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043303	0	44	-1.0	-54.53	358.87	7.65	-46.88
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043304	0	48	-1.0	-51.25	380.20	7.95	-43.30
COCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043305	0	46	-1.0	-52.24	375.61	5.78	-46.46
COCCN(CCOC)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043306	0	48	-1.0	-53.76	369.59	2.36	-51.40
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043307	0	39	-1.0	-48.62	317.87	6.93	-41.69
COC1=C(C)C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C	REAL300008043308	0	46	-1.0	-53.15	370.24	6.10	-47.05
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043309	0	52	-1.0	-51.98	410.93	7.59	-44.39
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OC4CCCC4)C=C3)[C@@H]2C1	REAL300008043310	0	50	-1.0	-54.21	386.94	7.97	-46.24
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043311	0	49	-1.0	-55.44	385.75	7.49	-47.95
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043312	0	46	-1.0	-55.39	365.65	6.79	-48.60
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1Cl	REAL300008043313	0	40	-1.0	-55.84	343.76	5.07	-50.77
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OC(F)F)C(Cl)=C3)[C@@H]2C1	REAL300008043314	0	40	-1.0	-55.06	353.51	5.34	-49.72
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C	REAL300008043315	0	43	-1.0	-56.48	342.41	5.80	-50.68
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC=C1OC(C)C	REAL300008043316	0	49	-1.0	-56.00	382.20	7.35	-48.65
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1	REAL300008043317	0	43	-1.0	-51.76	342.67	5.45	-46.31
COCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043318	0	47	-1.0	-54.48	383.99	4.76	-49.72
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC=C3F)[C@@H]2C1	REAL300008043319	0	39	-1.0	-53.17	328.53	6.05	-47.12
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043320	0	39	-1.0	-49.13	334.52	6.77	-42.36
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1C	REAL300008043321	0	44	-1.0	-59.90	347.20	8.10	-51.80
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043322	0	45	-1.0	-59.40	361.45	3.92	-55.48
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043323	0	44	-1.0	-57.81	375.65	1.44	-56.37
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043324	0	44	-1.0	-56.58	357.43	3.58	-53.00
CC1=NC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)S1	REAL300008043325	0	38	-1.0	-54.93	324.34	3.55	-51.38
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CSC4=CC=CC=C43)[C@@H]2C1	REAL300008043326	0	39	-1.0	-53.89	335.25	6.60	-47.29
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CCCC3)[C@@H]2C1	REAL300008043327	0	42	-1.0	-57.19	318.84	6.21	-50.98
COC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC=C1F	REAL300008043328	0	40	-1.0	-53.31	333.96	4.58	-48.73
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CSC=C3)[C@@H]2C1	REAL300008043329	0	33	-1.0	-53.86	290.09	4.18	-49.68
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(C4=CC=CC=C4)=C3)[C@@H]2C1	REAL300008043330	0	46	-1.0	-61.22	366.98	9.19	-52.03
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC(Cl)=CC(Cl)=C3)[C@@H]2C1	REAL300008043331	0	39	-1.0	-55.95	351.98	7.41	-48.54
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CCCCC3)[C@@H]2C1	REAL300008043332	0	45	-1.0	-57.07	334.56	6.91	-50.16
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)S2)=CS1	REAL300008043333	0	42	-1.0	-54.13	378.48	5.86	-48.27
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043334	0	44	-1.0	-61.50	344.86	7.28	-54.22
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CN1C	REAL300008043335	0	44	-1.0	-58.66	363.38	2.92	-55.74
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1	REAL300008043336	0	46	-1.0	-52.35	347.46	5.81	-46.54
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4C(=C3)CC3=CC=CC=C34)[C@@H]2C1	REAL300008043337	0	47	-1.0	-54.67	383.12	9.42	-45.25
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C	REAL300008043338	0	46	-1.0	-53.43	363.72	6.08	-47.35
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=CC=CN=C2C=C1	REAL300008043339	0	44	-1.0	-54.41	346.89	6.57	-47.84
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=CN=CC=C43)[C@@H]2C1	REAL300008043340	0	41	-1.0	-58.39	334.92	5.78	-52.61
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@H]1C[C@H]3CC(C(=O)[O-])C[C@H]31)=C2	REAL300008043341	0	49	-1.0	-56.99	397.92	9.05	-47.94
CCN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C([N+](=O)[O-])=N1	REAL300008043342	0	41	-1.0	-66.50	348.65	6.16	-60.34
CCN1C=C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C([N+](=O)[O-])=N1	REAL300008043342	1	40	-2.0	-108.50	348.61	5.94	-102.56
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OCC(F)(F)F)C=C3)[C@@H]2C1	REAL300008043343	0	43	-1.0	-57.57	363.72	6.46	-51.11
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043344	0	44	-1.0	-64.27	361.84	6.51	-57.76
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(CC4=CC=CC=C4)N=C3)[C@@H]2C1	REAL300008043345	0	46	-1.0	-58.37	384.81	6.81	-51.56
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=C4NC=CC=C34)[C@@H]2C1	REAL300008043346	0	39	-1.0	-63.87	321.61	5.00	-58.87
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043347	0	58	-1.0	-52.11	433.09	8.02	-44.09
CC1=CC=CC(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043348	0	42	-1.0	-59.06	337.33	7.14	-51.92
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043349	0	44	-1.0	-64.80	369.82	2.41	-62.39
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC(F)=C3)[C@@H]2C1	REAL300008043350	0	39	-1.0	-60.38	322.33	6.54	-53.84
CC1=CC=CC=C1CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043351	0	42	-1.0	-52.60	337.56	6.68	-45.92
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=CC=CC=C12	REAL300008043352	0	49	-1.0	-55.54	389.75	7.86	-47.68
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043353	0	46	-1.0	-54.79	370.61	6.67	-48.12
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(N4C=NN=N4)=C3)[C@@H]2C1	REAL300008043354	0	41	-1.0	-68.41	347.09	5.40	-63.01
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(C4=CC=CC=C4)N=C3)[C@@H]2C1	REAL300008043355	0	43	-1.0	-57.21	360.18	6.38	-50.83
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043356	0	50	-1.0	-58.32	399.63	6.23	-52.09
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043357	0	52	-1.0	-55.23	408.65	8.36	-46.87
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=C3CCCC4)[C@@H]2C1	REAL300008043358	0	46	-1.0	-54.23	355.09	7.94	-46.29
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC=C3C(F)(F)F)[C@@H]2C1	REAL300008043359	0	42	-1.0	-52.39	347.84	7.11	-45.28
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(SC(F)(F)F)C=C3)[C@@H]2C1	REAL300008043360	0	40	-1.0	-50.81	349.18	7.23	-43.58
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4COCC4=C3)[C@@H]2C1	REAL300008043361	0	41	-1.0	-52.67	335.17	4.62	-48.05
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC4=CC=CN=C43)[C@@H]2C1	REAL300008043362	0	44	-1.0	-65.26	362.51	6.49	-58.77
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1	REAL300008043363	0	42	-1.0	-67.71	342.90	1.70	-66.01
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(N4C=NN=N4)C=C3)[C@@H]2C1	REAL300008043364	0	41	-1.0	-61.59	346.34	5.39	-56.20
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1	REAL300008043365	0	46	-1.0	-53.42	366.50	6.30	-47.12
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043366	0	44	-1.0	-61.64	375.28	1.40	-60.24
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3OC(F)F)[C@@H]2C1	REAL300008043367	0	40	-1.0	-53.37	337.16	5.32	-48.05
CSC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043368	0	40	-1.0	-55.86	333.00	6.79	-49.07
CCCCCCCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043369	0	47	-1.0	-51.88	369.96	6.87	-45.01
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC(C(F)(F)F)=C3)[C@@H]2C1	REAL300008043370	0	42	-1.0	-60.72	354.98	7.49	-53.23
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043371	0	47	-1.0	-55.00	370.50	7.16	-47.84
CCN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)N=C1C	REAL300008043372	0	42	-1.0	-59.03	340.99	5.52	-53.51
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=C3OCCO4)[C@@H]2C1	REAL300008043373	0	42	-1.0	-57.08	341.81	4.86	-52.22
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=NC=CC=C43)[C@@H]2C1	REAL300008043374	0	41	-1.0	-55.31	334.71	5.69	-49.62
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CCCO3)[C@@H]2C1	REAL300008043375	0	40	-1.0	-59.83	312.15	3.92	-55.91
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CCCCO3)[C@@H]2C1	REAL300008043376	0	43	-1.0	-56.02	330.64	4.79	-51.23
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C(F)(F)F	REAL300008043377	0	42	-1.0	-50.93	347.28	7.28	-43.65
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CSC(C4=CC=C(F)C=C4)=N3)[C@@H]2C1	REAL300008043378	0	42	-1.0	-55.82	372.39	6.05	-49.77
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4C(=O)CCCC4=C3)[C@@H]2C1	REAL300008043379	0	45	-1.0	-57.75	364.03	6.92	-50.83
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=C12	REAL300008043380	0	44	-1.0	-56.33	365.34	4.96	-51.37
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043381	0	43	-1.0	-60.41	367.53	5.83	-54.58
COCC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043382	0	43	-1.0	-56.33	347.87	5.50	-50.83
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=C2O1	REAL300008043383	0	47	-1.0	-60.11	364.68	7.11	-53.00
CCN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043384	0	39	-1.0	-52.59	319.68	4.37	-48.22
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC=C3Cl)[C@@H]2C1	REAL300008043385	0	39	-1.0	-52.04	336.69	6.46	-45.58
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=C(OC(F)(F)F)C=C3)[C@@H]2C1	REAL300008043386	0	43	-1.0	-53.76	368.88	5.78	-47.98
CC(C1CC1)N(C)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043387	0	44	-1.0	-50.41	338.98	5.23	-45.18
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)[C@@H]2C1	REAL300008043388	0	44	-1.0	-60.50	360.43	5.86	-54.64
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=C(Cl)C=CC=C3Cl)[C@@H]2C1	REAL300008043389	0	39	-1.0	-58.12	345.47	7.29	-50.83
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CCOC3)[C@@H]2C1	REAL300008043390	0	40	-1.0	-53.40	317.48	3.14	-50.26
CC1CC2=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=CC=C2O1	REAL300008043391	0	44	-1.0	-54.88	355.07	5.81	-49.07
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043392	0	48	-1.0	-50.05	353.87	8.33	-41.72
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CSC(C4=CC=CC=C4)=N3)[C@@H]2C1	REAL300008043393	0	42	-1.0	-53.41	359.85	6.47	-46.94
COCCN(C)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043394	0	41	-1.0	-52.34	319.99	3.02	-49.32
CN(CC1CC1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043395	0	41	-1.0	-55.26	326.74	4.84	-50.42
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=C2)=CO1	REAL300008043396	0	45	-1.0	-59.43	374.46	4.27	-55.16
CN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C(F)(F)F)=N1	REAL300008043397	0	39	-1.0	-59.03	338.27	4.16	-54.87
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C(F)(F)F)=N1	REAL300008043397	1	38	-2.0	-103.63	338.28	3.96	-99.67
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C(C)O1	REAL300008043398	0	39	-1.0	-50.87	323.99	4.83	-46.04
CC1=CSC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043399	0	36	-1.0	-53.84	307.04	5.45	-48.39
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4O3)[C@@H]2C1	REAL300008043400	0	39	-1.0	-54.01	328.67	5.69	-48.32
O=C([O-])C1C[C@@H]2C[C@H]([N-]S(=O)(=O)C3=CC4=CC=CC=C4O3)[C@@H]2C1	REAL300008043400	1	38	-2.0	-107.37	327.85	5.48	-101.89
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4OCOC4=C3)[C@@H]2C1	REAL300008043401	0	39	-1.0	-55.63	325.06	3.96	-51.67
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043402	0	39	-1.0	-54.01	325.45	1.90	-52.11
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=C4CCCN34)[C@@H]2C1	REAL300008043403	0	40	-1.0	-58.15	320.48	4.38	-53.77
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)SC=C1	REAL300008043404	0	36	-1.0	-55.73	301.54	5.31	-50.42
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4OCCCC4=C3)[C@@H]2C1	REAL300008043405	0	44	-1.0	-52.53	352.61	5.93	-46.60
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3CC4=CC=CC=C4C3)[C@@H]2C1	REAL300008043406	0	43	-1.0	-51.79	336.70	6.81	-44.98
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=N2)C=C1	REAL300008043407	0	46	-1.0	-58.41	375.41	7.62	-50.79
CC1CC2=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=CC(Cl)=C2O1	REAL300008043408	0	44	-1.0	-55.25	372.73	6.43	-48.82
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC=C1[N+](=O)[O-]	REAL300008043409	0	41	-1.0	-52.28	337.05	6.94	-45.34
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043410	0	47	-1.0	-58.62	387.50	6.09	-52.53
CC1=NN(C)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043411	0	39	-1.0	-55.64	324.43	3.52	-52.12
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)N(C)N=C1	REAL300008043412	0	39	-1.0	-51.81	306.80	4.15	-47.66
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=C4C=CSC4=C3)[C@@H]2C1	REAL300008043413	0	38	-1.0	-54.07	330.28	4.68	-49.39
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043414	0	44	-1.0	-53.00	351.54	5.69	-47.31
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=C2C=C1	REAL300008043415	0	45	-1.0	-55.46	365.96	8.16	-47.30
COC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)SC=C1	REAL300008043416	0	37	-1.0	-61.51	315.01	3.86	-57.65
CN(C)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043417	0	44	-1.0	-56.42	344.27	6.17	-50.25
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=C3OCC4)[C@@H]2C1	REAL300008043418	0	41	-1.0	-58.50	335.94	5.08	-53.42
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=NOC4=CC=CC=C43)[C@@H]2C1	REAL300008043419	0	41	-1.0	-60.46	346.21	5.33	-55.13
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4CCOC4=C3)[C@@H]2C1	REAL300008043420	0	41	-1.0	-55.41	335.57	5.17	-50.24
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3=CC=C(Cl)C=C3)[C@@H]2C1	REAL300008043421	0	42	-1.0	-53.21	360.62	7.29	-45.92
CN1CCCC2=CC=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=C21	REAL300008043422	0	48	-1.0	-54.98	367.31	6.32	-48.66
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(F)(F)F)N=C3)[C@@H]2C1	REAL300008043423	0	38	-1.0	-52.19	333.16	4.46	-47.73
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043424	0	44	-1.0	-61.03	349.80	5.76	-55.27
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043425	0	44	-1.0	-56.58	357.86	7.35	-49.23
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1[N+](=O)[O-]	REAL300008043426	0	44	-1.0	-51.57	357.76	8.66	-42.91
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1[N+](=O)[O-]	REAL300008043427	0	44	-1.0	-54.39	361.66	7.34	-47.05
COC1=CC=C(CCS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043428	0	46	-1.0	-54.55	373.39	6.07	-48.48
COC1=CN=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043429	0	39	-1.0	-55.29	317.48	3.23	-52.06
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)S1	REAL300008043430	0	45	-1.0	-53.34	372.41	6.91	-46.43
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C4CC4)C=C3)[C@@H]2C1	REAL300008043431	0	43	-1.0	-55.48	342.04	7.89	-47.59
COC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC(OC)=C1	REAL300008043432	0	44	-1.0	-54.36	358.62	3.93	-50.43
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3CCCCC3)[C@@H]2C1	REAL300008043433	0	48	-1.0	-57.89	363.89	6.88	-51.01
CC1=CC=C(CCS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043434	0	45	-1.0	-52.93	365.29	7.45	-45.48
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1C[C@H]3CC(C(=O)[O-])C[C@H]31)OCO2	REAL300008043435	0	42	-1.0	-51.48	332.25	5.12	-46.36
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=C4OC=CC4=CC=C3)[C@@H]2C1	REAL300008043436	0	39	-1.0	-57.59	327.25	5.59	-52.00
COC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC=C1Cl	REAL300008043437	0	40	-1.0	-52.95	343.76	5.06	-47.89
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3CCCC3)[C@@H]2C1	REAL300008043438	0	45	-1.0	-58.00	347.42	6.30	-51.70
CN1C=NC2=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=CC=C21	REAL300008043439	0	42	-1.0	-57.18	347.93	6.66	-50.52
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=NC=CC=C2C=C1	REAL300008043440	0	44	-1.0	-63.61	346.31	6.75	-56.86
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=C2O1	REAL300008043441	0	41	-1.0	-56.45	342.30	2.92	-53.53
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1CC	REAL300008043442	0	48	-1.0	-51.92	376.76	7.89	-44.03
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043443	0	44	-1.0	-53.34	353.71	7.48	-45.86
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043444	0	46	-1.0	-52.53	361.48	7.10	-45.43
CC1=C(C)SC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043445	0	39	-1.0	-53.59	332.23	5.64	-47.95
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043446	0	37	-1.0	-46.15	311.10	3.77	-42.38
CC1=NC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)S1	REAL300008043447	0	35	-1.0	-54.95	302.00	3.62	-51.33
CCC1=NC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)S1	REAL300008043448	0	38	-1.0	-53.52	328.78	3.82	-49.70
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(N)=NO1	REAL300008043449	0	37	-1.0	-53.50	302.36	2.53	-50.97
CC1=C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(N)=NO1	REAL300008043449	1	36	-2.0	-96.04	304.53	2.49	-93.55
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043450	0	43	-1.0	-56.22	348.18	5.05	-51.17
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)S1	REAL300008043451	0	39	-1.0	-50.17	329.13	5.93	-44.24
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3C3=CC=NO3)[C@@H]2C1	REAL300008043452	0	42	-1.0	-66.02	340.22	6.77	-59.25
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=C3OCO4)[C@@H]2C1	REAL300008043453	0	39	-1.0	-56.03	313.00	4.45	-51.58
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC(C)=C1F	REAL300008043454	0	42	-1.0	-51.45	345.98	6.64	-44.81
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4OCCC(=O)C4=C3)[C@@H]2C1	REAL300008043455	0	43	-1.0	-54.36	354.95	5.06	-49.30
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCCOCC3=CC=CC=C3)[C@@H]2C1	REAL300008043456	0	49	-1.0	-55.16	400.14	6.82	-48.34
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CNC4=CC=CC(F)=C34)[C@@H]2C1	REAL300008043457	0	40	-1.0	-63.55	337.09	5.32	-58.23
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=C4N=CSC4=CC=C3)[C@@H]2C1	REAL300008043458	0	38	-1.0	-58.76	329.65	4.67	-54.09
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043459	0	38	-1.0	-53.75	315.05	4.05	-49.70
CC1=NC(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CS1	REAL300008043460	0	38	-1.0	-64.22	324.40	4.09	-60.13
COC(CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21)C1CC1	REAL300008043461	0	43	-1.0	-50.75	342.04	5.07	-45.68
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=C(Cl)C=C3)[C@@H]2C1	REAL300008043462	0	39	-1.0	-53.14	339.61	6.51	-46.63
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC=C1Cl	REAL300008043463	0	39	-1.0	-52.93	328.31	6.86	-46.07
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4CCC(=O)C4=C3)[C@@H]2C1	REAL300008043464	0	42	-1.0	-56.95	341.15	6.75	-50.20
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=C2)=N1	REAL300008043465	0	45	-1.0	-54.71	384.29	6.68	-48.03
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=C3OCCC4)[C@@H]2C1	REAL300008043466	0	44	-1.0	-57.30	350.86	6.43	-50.87
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4CS(=O)(=O)CC4=C3)[C@@H]2C1	REAL300008043467	0	43	-1.0	-61.98	364.29	3.19	-58.79
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=C3OCCCO4)[C@@H]2C1	REAL300008043468	0	45	-1.0	-58.37	361.15	5.64	-52.73
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC(F)=CC=C3Cl)[C@@H]2C1	REAL300008043469	0	39	-1.0	-57.61	342.50	6.45	-51.16
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043470	0	49	-1.0	-54.47	388.12	6.88	-47.59
COC(CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21)C1CCCC1	REAL300008043471	0	49	-1.0	-51.81	374.97	5.50	-46.31
COC(CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21)C1CCCCC1	REAL300008043472	0	52	-1.0	-52.07	391.58	6.33	-45.74
CC1(C)CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)CO1	REAL300008043473	0	43	-1.0	-52.61	338.49	3.86	-48.75
CCOC(CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21)C1CC1	REAL300008043474	0	46	-1.0	-50.97	368.93	5.51	-45.46
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C(C)C	REAL300008043475	0	55	-1.0	-51.80	431.23	8.37	-43.43
CCC1=NC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CN1CC1CC1	REAL300008043476	0	49	-1.0	-59.04	393.47	7.09	-51.95
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=C(C4CC4)S3)[C@@H]2C1	REAL300008043477	0	39	-1.0	-51.71	338.29	4.77	-46.94
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1[N+](=O)[O-]	REAL300008043478	0	44	-1.0	-57.39	349.33	7.98	-49.41
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043479	0	43	-1.0	-52.51	344.68	5.15	-47.36
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=NN3CCC3=CC=CC=C3)[C@@H]2C1	REAL300008043480	0	49	-1.0	-51.04	401.17	7.58	-43.46
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043481	0	39	-1.0	-51.08	335.30	3.74	-47.34
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4CCC5=C4C3=CC=C5)[C@@H]2C1	REAL300008043482	0	46	-1.0	-57.48	364.68	8.64	-48.84
CCC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C(C)C=C1OC	REAL300008043483	0	49	-1.0	-52.64	385.35	6.95	-45.69
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=N1	REAL300008043484	0	37	-2.0	-123.07	322.42	4.58	-118.49
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=N1	REAL300008043484	1	38	-1.0	-61.09	316.87	4.66	-56.43
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=CC=CC=C2C=C1	REAL300008043485	0	45	-1.0	-54.30	350.88	8.46	-45.84
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043486	0	45	-1.0	-53.73	367.46	3.76	-49.97
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043487	0	40	-1.0	-55.14	332.96	5.26	-49.88
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C(C)C	REAL300008043488	0	52	-1.0	-52.02	409.73	7.57	-44.45
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1F	REAL300008043489	0	48	-1.0	-52.51	376.42	7.46	-45.05
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=C(C4CCCCC4)C=C3)[C@@H]2C1	REAL300008043490	0	55	-1.0	-53.03	424.75	9.79	-43.24
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043491	0	46	-1.0	-52.37	354.64	5.19	-47.18
CN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C(C)(C)C)=N1	REAL300008043492	0	48	-1.0	-53.46	366.07	5.25	-48.21
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(C4CCCC4)N=C3)[C@@H]2C1	REAL300008043493	0	46	-1.0	-57.38	360.87	6.14	-51.24
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043494	0	39	-1.0	-54.54	319.04	4.45	-50.09
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043495	0	43	-1.0	-60.75	357.21	5.38	-55.37
C=CCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043496	0	46	-1.0	-51.51	376.25	8.05	-43.46
CCC1=NN(C)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043497	0	42	-1.0	-55.20	344.55	4.31	-50.89
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C=CC3=CC=CC(Cl)=C3)[C@@H]2C1	REAL300008043498	0	40	-1.0	-55.89	348.05	6.97	-48.92
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1CC	REAL300008043499	0	52	-1.0	-51.87	414.31	7.83	-44.04
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043500	0	42	-1.0	-50.41	337.77	7.12	-43.29
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCCC3CC3)[C@@H]2C1	REAL300008043501	0	42	-1.0	-52.20	337.57	6.10	-46.10
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C=CC3=CC=CC=C3Cl)[C@@H]2C1	REAL300008043502	0	40	-1.0	-57.19	344.73	6.84	-50.35
CCCC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043503	0	45	-1.0	-49.84	352.67	7.84	-42.00
COC1=NC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043504	0	39	-1.0	-52.87	310.43	2.83	-50.04
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=CC=NC=C43)[C@@H]2C1	REAL300008043505	0	41	-1.0	-60.15	335.62	5.80	-54.35
CC1=NC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)N1C	REAL300008043506	0	39	-1.0	-55.89	314.87	4.17	-51.72
CC1=CSC(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043507	0	39	-1.0	-52.62	312.52	6.34	-46.28
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(C4CCC4)N=C3)[C@@H]2C1	REAL300008043508	0	43	-1.0	-54.54	348.71	4.90	-49.64
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=NN3C3CCC3)[C@@H]2C1	REAL300008043509	0	43	-1.0	-52.37	339.90	4.77	-47.60
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=NN3CC3CCC3)[C@@H]2C1	REAL300008043510	0	46	-1.0	-51.96	362.58	5.50	-46.46
CC1(C)COC2=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=NN2C1	REAL300008043511	0	47	-1.0	-60.84	363.75	3.85	-56.99
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=C(C4=CC=CC=C4)S3)[C@@H]2C1	REAL300008043512	0	42	-1.0	-54.16	365.60	6.14	-48.02
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=C4CCCCN34)[C@@H]2C1	REAL300008043513	0	43	-1.0	-52.45	334.94	5.90	-46.55
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C	REAL300008043514	0	52	-1.0	-53.75	402.16	7.36	-46.39
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043515	0	46	-1.0	-52.22	373.51	6.71	-45.51
CC1CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=C2O1	REAL300008043516	0	44	-1.0	-54.86	356.54	5.86	-49.00
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)S1	REAL300008043517	0	44	-1.0	-53.29	367.44	4.90	-48.39
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=C(Cl)C=CC4=C3OCCO4)[C@@H]2C1	REAL300008043518	0	42	-1.0	-53.23	348.68	5.82	-47.41
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043519	0	41	-1.0	-64.93	337.01	5.31	-59.62
CCN1N=NC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043520	0	38	-1.0	-54.84	314.93	2.62	-52.22
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3C[C@@H]4CCC[C@@H]4C3)[C@@H]2C1	REAL300008043521	0	45	-1.0	-54.40	336.82	5.65	-48.75
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=NON=C4C=C3)[C@@H]2C1	REAL300008043522	0	37	-1.0	-54.08	314.63	4.11	-49.97
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4S3)[C@@H]2C1	REAL300008043523	0	39	-1.0	-55.56	334.04	7.15	-48.41
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043524	0	43	-1.0	-52.01	346.03	4.88	-47.13
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1F	REAL300008043525	0	45	-1.0	-49.73	352.72	7.54	-42.19
COC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1OC	REAL300008043526	0	44	-1.0	-58.93	350.89	5.21	-53.72
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=COC4=CC=CC=C43)[C@@H]2C1	REAL300008043527	0	39	-1.0	-54.28	328.74	5.58	-48.70
CN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C2CCCC2)=N1	REAL300008043528	0	49	-1.0	-58.67	379.57	6.48	-52.19
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043529	0	48	-1.0	-56.24	373.83	5.72	-50.52
CCCCN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=N1	REAL300008043530	0	48	-1.0	-56.92	382.74	6.30	-50.62
CN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C2CC2)=N1	REAL300008043531	0	43	-1.0	-55.85	356.12	5.17	-50.68
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OC(F)F)C=C3)[C@@H]2C1	REAL300008043532	0	40	-1.0	-55.10	332.05	5.35	-49.75
CN1N=NC2=C(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)C=CC=C21	REAL300008043533	0	41	-1.0	-73.54	337.93	4.19	-69.35
CC1(C)CCCN(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C1	REAL300008043534	0	47	-1.0	-49.10	353.70	5.69	-43.41
CN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C2CCC2)=N1	REAL300008043535	0	46	-1.0	-58.33	365.98	6.05	-52.28
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043536	0	54	-1.0	-58.39	402.88	9.38	-49.01
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(CC4CCC4)N=C3)[C@@H]2C1	REAL300008043537	0	46	-1.0	-55.26	373.68	5.90	-49.36
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=C(C4CC4)C=CS3)[C@@H]2C1	REAL300008043538	0	40	-1.0	-58.58	332.61	6.61	-51.97
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC(Cl)=CC=C3OCC3CC3)[C@@H]2C1	REAL300008043539	0	47	-1.0	-54.90	388.87	8.54	-46.36
COC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=NC=CC=C2C=C1	REAL300008043540	0	45	-1.0	-62.16	362.12	6.49	-55.67
CCCC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043541	0	45	-1.0	-55.27	357.19	7.99	-47.28
CN1N=C2CCCC2=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043542	0	43	-1.0	-54.10	337.18	5.24	-48.86
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3C[C@@H]4CC[C@@H]4C3)[C@@H]2C1	REAL300008043543	0	42	-1.0	-55.13	325.61	4.67	-50.46
CC1=CC=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043544	0	42	-1.0	-50.61	326.14	6.87	-43.74
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043545	0	45	-1.0	-51.23	344.93	5.20	-46.03
CC(C)(C)N1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043546	0	45	-1.0	-56.85	364.11	4.97	-51.88
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CNN=C3C3CCC3)[C@@H]2C1	REAL300008043547	0	43	-1.0	-54.39	347.49	4.33	-50.06
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CN=C1C(F)(F)F	REAL300008043548	0	41	-1.0	-54.82	349.84	5.12	-49.70
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC(F)=CC(C(F)(F)F)=C3)[C@@H]2C1	REAL300008043549	0	39	-1.0	-50.32	343.92	6.32	-44.00
CC1=NN(C)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043550	0	39	-1.0	-52.21	316.06	3.36	-48.85
CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1C	REAL300008043551	0	42	-1.0	-53.97	331.87	6.60	-47.37
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043552	0	47	-1.0	-63.95	383.33	7.28	-56.67
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4CCC3)[C@@H]2C1	REAL300008043553	0	47	-1.0	-54.84	368.13	8.35	-46.49
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC(Cl)=CC=C4OC3)[C@@H]2C1	REAL300008043554	0	42	-1.0	-53.76	355.83	6.83	-46.93
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CC4=CC=CC=C4C3)[C@@H]2C1	REAL300008043555	0	42	-1.0	-53.94	339.01	5.61	-48.33
CN(C1CCC1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043556	0	41	-1.0	-54.99	317.75	4.34	-50.65
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=NOC4=C3COCC4)[C@@H]2C1	REAL300008043557	0	43	-1.0	-62.28	352.02	3.58	-58.70
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)N3CCC(F)(F)CC3)[C@@H]2C1	REAL300008043558	0	40	-1.0	-54.05	309.58	7.74	-46.31
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CSC=C3C(F)(F)F)[C@@H]2C1	REAL300008043559	0	36	-1.0	-56.99	313.20	5.62	-51.37
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(C4CC4)=C3)[C@@H]2C1	REAL300008043560	0	43	-1.0	-54.41	347.95	7.34	-47.07
COC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=CS1	REAL300008043561	0	37	-1.0	-51.91	315.14	3.91	-48.00
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=NN3C3CCCC3)[C@@H]2C1	REAL300008043562	0	46	-1.0	-52.09	358.26	6.41	-45.68
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043563	0	45	-1.0	-52.17	353.32	4.77	-47.40
CN(C(C)(C)C)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043564	0	43	-1.0	-56.39	311.92	4.04	-52.35
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)O1	REAL300008043565	0	39	-1.0	-53.81	324.84	4.84	-48.97
CN(C1CCCCCC1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043566	0	50	-1.0	-49.40	365.74	6.06	-43.34
CN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C2CCOCC2)=N1	REAL300008043567	0	50	-1.0	-55.69	383.96	4.65	-51.04
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043568	0	42	-1.0	-52.61	346.02	7.30	-45.31
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(OC(F)F)=C3)[C@@H]2C1	REAL300008043569	0	40	-1.0	-56.53	338.04	4.82	-51.71
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC(C4=CC=CC=C4)CC3)[C@@H]2C1	REAL300008043570	0	51	-1.0	-55.20	389.27	8.27	-46.93
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)S1	REAL300008043571	0	37	-1.0	-53.52	323.19	3.71	-49.81
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=NC=CC=C12	REAL300008043572	0	47	-1.0	-55.59	369.23	7.72	-47.87
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC(C(F)(F)F)CC3)[C@@H]2C1	REAL300008043573	0	44	-1.0	-51.37	353.68	5.35	-46.02
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(CCF)N=C3)[C@@H]2C1	REAL300008043574	0	39	-1.0	-57.74	326.27	4.50	-53.24
CCOCC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043575	0	46	-1.0	-56.31	369.72	6.47	-49.84
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043576	0	46	-1.0	-55.05	368.74	6.91	-48.14
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN(C4CCCCC4)N=C3)[C@@H]2C1	REAL300008043577	0	49	-1.0	-57.25	379.84	6.74	-50.51
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OC4=CC=CC=C4)C=C3)[C@@H]2C1	REAL300008043578	0	47	-1.0	-54.98	382.30	8.65	-46.33
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3CF)[C@@H]2C1	REAL300008043579	0	39	-1.0	-51.62	318.29	6.35	-45.27
CC1=CN=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043580	0	38	-1.0	-53.55	314.72	4.06	-49.49
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=CC=CC=C12	REAL300008043581	0	45	-1.0	-56.78	357.32	8.11	-48.67
CN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C2=CC=CC=C2)=N1	REAL300008043582	0	46	-1.0	-60.26	371.04	6.95	-53.31
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CC4CC3C4)[C@@H]2C1	REAL300008043583	0	39	-1.0	-56.47	306.37	4.56	-51.91
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C=CC3=CC=C(F)C=C3)[C@@H]2C1	REAL300008043584	0	40	-1.0	-53.14	331.79	7.04	-46.10
CCOCCCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043585	0	42	-1.0	-53.58	340.23	3.77	-49.81
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCC3NC(=O)NC3=O)[C@@H]2C1	REAL300008043586	0	41	-1.0	-57.89	342.82	-0.81	-58.70
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=C4C=CC=CN34)[C@@H]2C1	REAL300008043587	0	39	-1.0	-59.09	324.18	5.68	-53.41
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3CCC(F)(F)CC3)[C@@H]2C1	REAL300008043588	0	42	-1.0	-60.36	334.55	5.70	-54.66
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4SC=NC4=C3)[C@@H]2C1	REAL300008043589	0	38	-1.0	-53.47	330.60	4.71	-48.76
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCOC3CCOC3)[C@@H]2C1	REAL300008043590	0	44	-1.0	-53.41	353.96	2.46	-50.95
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3COCCO3)[C@@H]2C1	REAL300008043591	0	41	-1.0	-59.71	321.05	3.14	-56.57
CC1=NC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C(C2=CC=CC=C2)O1	REAL300008043592	0	45	-1.0	-54.84	363.56	4.74	-50.10
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C(C2=CC=CC=C2)O1	REAL300008043592	1	44	-2.0	-113.04	372.72	4.25	-108.79
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC34CC5CC(CC(C5)C3)C4)[C@@H]2C1	REAL300008043593	0	53	-1.0	-51.56	376.09	8.15	-43.41
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CCN3C=NN=N3)[C@@H]2C1	REAL300008043594	0	37	-1.0	-60.20	313.91	3.15	-57.05
CC1(C)COC(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C1	REAL300008043595	0	46	-1.0	-61.69	358.80	4.73	-56.96
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3CS(=O)(=O)C3)[C@@H]2C1	REAL300008043596	0	39	-1.0	-60.11	330.10	0.95	-59.16
CC(C)(CS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21)C(C)(F)F	REAL300008043597	0	44	-1.0	-55.77	338.03	5.69	-50.08
CS(=O)(=O)CCCCS(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043598	0	44	-1.0	-63.64	369.10	2.09	-61.55
CC1(C)CCC(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)OC1	REAL300008043599	0	49	-1.0	-52.74	373.57	5.38	-47.36
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC[C@@H]3C[C@H]3C3CC3)[C@@H]2C1	REAL300008043600	0	46	-1.0	-52.01	369.63	7.57	-44.44
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC4=NSN=C43)[C@@H]2C1	REAL300008043601	0	40	-1.0	-65.08	345.82	4.24	-60.84
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C[C@H]3[C@H](C4=CC=CC=C4)C3(F)F)[C@@H]2C1	REAL300008043602	0	46	-1.0	-54.71	381.31	8.17	-46.54
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)CC3C[C@@H]4COC[C@@H]4O3)[C@@H]2C1	REAL300008043603	0	45	-1.0	-59.39	346.50	3.16	-56.23
COCCC1(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)CC1	REAL300008043604	0	43	-1.0	-60.25	330.44	4.77	-55.48
CCN1N=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=N1	REAL300008043605	0	38	-1.0	-53.47	319.73	2.18	-51.29
CCN1N=CC(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=N1	REAL300008043605	1	37	-2.0	-112.62	319.55	1.90	-110.72
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C[C@@H]3C[C@@H]4CCCC[C@H]34)[C@@H]2C1	REAL300008043606	0	49	-1.0	-56.93	362.35	7.68	-49.25
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C4CC4)S3)[C@@H]2C1	REAL300008043607	0	40	-1.0	-53.60	342.56	6.56	-47.04
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300008043608	0	47	-1.0	-52.79	373.56	6.32	-46.47
CO[C@@H]1COC[C@@H]1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043609	0	41	-1.0	-53.52	327.41	2.22	-51.30
CCC1=NNC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043610	0	39	-1.0	-54.41	322.07	3.03	-51.38
COC1=CSC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1OC	REAL300008043611	0	41	-1.0	-58.87	343.28	4.56	-54.31
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3C[C@@H]4CCCC[C@@H]4C3)[C@@H]2C1	REAL300008043612	0	48	-1.0	-54.15	352.31	6.24	-47.91
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043613	0	47	-1.0	-51.88	376.73	7.13	-44.75
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(Cl)=C3OC(F)F)[C@@H]2C1	REAL300008043614	0	40	-1.0	-59.62	337.77	6.07	-53.55
COC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(F)=C1	REAL300008043615	0	40	-1.0	-52.53	336.01	4.85	-47.68
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(F)=C1	REAL300008043615	1	39	-2.0	-106.65	336.05	4.66	-101.99
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(F)C(OC(F)F)=C3)[C@@H]2C1	REAL300008043616	0	40	-1.0	-54.47	343.71	4.86	-49.61
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043617	0	42	-1.0	-52.98	340.95	5.19	-47.79
CN1C=CC2=CC(S(=O)(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=CC=C21	REAL300008043618	0	43	-1.0	-58.12	351.89	6.96	-51.16
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043619	0	49	-1.0	-56.77	389.28	7.57	-49.20
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(OC4=CC=CC=C4)=C3)[C@@H]2C1	REAL300008043620	0	47	-1.0	-57.78	387.47	8.09	-49.69
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043621	0	42	-1.0	-55.96	336.06	7.25	-48.71
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(Cl)C4=NSN=C43)[C@@H]2C1	REAL300008043622	0	37	-1.0	-55.64	340.46	4.11	-51.53
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043623	0	47	-1.0	-57.63	382.46	6.87	-50.76
CCN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C2CC2)=N1	REAL300008043624	0	46	-1.0	-55.91	377.66	6.02	-49.89
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=NSN=C2C=C1	REAL300008043625	0	40	-1.0	-58.30	333.50	4.47	-53.83
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=C(Cl)C=C4C=C3)[C@@H]2C1	REAL300008043626	0	42	-1.0	-54.15	361.32	8.01	-46.14
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CSC(C(F)(F)F)=N3)[C@@H]2C1	REAL300008043627	0	35	-1.0	-48.34	320.76	3.78	-44.56
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043628	0	49	-1.0	-53.28	375.23	6.79	-46.49
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=C(Cl)OC=C3)[C@@H]2C1	REAL300008043629	0	33	-1.0	-53.63	298.48	3.78	-49.85
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC(Cl)=CS3)[C@@H]2C1	REAL300008043630	0	33	-1.0	-53.07	302.24	5.31	-47.76
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043631	0	50	-1.0	-54.54	403.93	5.56	-48.98
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4C=C3Cl)[C@@H]2C1	REAL300008043632	0	42	-1.0	-52.51	339.58	7.90	-44.61
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043633	0	44	-1.0	-51.66	346.49	2.85	-48.81
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3C3CC3)[C@@H]2C1	REAL300008043634	0	43	-1.0	-54.94	341.72	7.46	-47.48
CC1(C)CCN(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)CC1	REAL300008043635	0	47	-1.0	-54.54	350.04	5.26	-49.28
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OC4CCOCC4)C=C3)[C@@H]2C1	REAL300008043636	0	51	-1.0	-54.52	394.68	6.15	-48.37
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043637	0	39	-1.0	-51.36	340.97	2.91	-48.45
COC1=NC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1C	REAL300008043638	0	42	-1.0	-52.45	346.25	2.72	-49.73
CC(C)CN1C=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300008043639	0	45	-1.0	-51.95	356.53	5.96	-45.99
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043640	0	45	-1.0	-54.93	365.02	4.93	-50.00
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCN(CC(F)F)CC3)[C@@H]2C1	REAL300008043641	0	46	-1.0	-58.08	357.68	3.49	-54.59
COCC1=CC(CS(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=NO1	REAL300008043642	0	42	-1.0	-56.56	353.45	3.15	-53.41
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)N=C1	REAL300008043643	0	47	-1.0	-55.89	365.64	6.26	-49.63
CC(C)N1N=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043644	0	42	-1.0	-52.31	335.29	4.36	-47.95
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=NN3CC3CC3)[C@@H]2C1	REAL300008043645	0	43	-1.0	-51.99	340.05	5.08	-46.91
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=NN3C3=CC=CC=C3)[C@@H]2C1	REAL300008043646	0	43	-1.0	-52.97	353.32	6.46	-46.51
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(F)F)C=N3)[C@@H]2C1	REAL300008043647	0	38	-1.0	-55.71	328.76	4.26	-51.45
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC4=CC=CN=C43)[C@@H]2C1	REAL300008043648	0	41	-1.0	-56.78	326.81	6.22	-50.56
CC1=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=NN1C(C)C	REAL300008043649	0	45	-1.0	-50.89	355.15	5.38	-45.51
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=NC=CC4=CC=CC=C43)[C@@H]2C1	REAL300008043650	0	41	-1.0	-60.68	331.97	6.23	-54.45
CC1=CN=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C)=C1	REAL300008043651	0	41	-1.0	-55.54	320.83	4.38	-51.16
CC1=CN=CC=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043652	0	38	-1.0	-51.46	301.80	4.65	-46.81
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CC=C(Br)CC3)[C@@H]2C1	REAL300008043653	0	39	-1.0	-52.96	327.80	4.80	-48.16
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043654	0	44	-1.0	-61.17	354.37	0.98	-60.19
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CC4CCC(C3)O4)[C@@H]2C1	REAL300008043655	0	43	-1.0	-54.14	328.86	3.29	-50.85
N#CC1CCN(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)CC1	REAL300008043656	0	42	-1.0	-58.11	331.97	5.08	-53.03
COC1=CC=NC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043657	0	39	-1.0	-60.19	318.31	3.20	-56.99
C=CCN(CC=C)S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043658	0	42	-1.0	-53.89	340.20	5.16	-48.73
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C(F)F)=C1	REAL300008043659	0	43	-1.0	-60.84	340.65	5.94	-54.90
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)N=C1	REAL300008043660	0	39	-1.0	-56.20	318.64	3.24	-52.96
CC1=CC=CN=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043661	0	38	-1.0	-52.05	309.94	4.26	-47.79
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043662	0	42	-1.0	-50.58	363.39	3.37	-47.21
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC=NC4=CC=CC=C43)[C@@H]2C1	REAL300008043663	0	41	-1.0	-54.27	335.20	5.68	-48.59
CCOC1=CC=CN=C1S(=O)(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300008043664	0	42	-1.0	-54.88	343.91	4.62	-50.26
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C2=NC=CC=C12	REAL300008043665	0	44	-1.0	-62.87	350.43	7.02	-55.85
CC1=CC(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC=N1	REAL300008043666	0	38	-1.0	-53.50	309.76	4.60	-48.90
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CNC4=CC=CC=C43)[C@@H]2C1	REAL300008043667	0	40	-1.0	-58.63	333.16	5.24	-53.39
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC(F)(F)C3)[C@@H]2C1	REAL300008043668	0	38	-1.0	-51.32	313.81	3.69	-47.63
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CN=CS3)[C@@H]2C1	REAL300008043669	0	32	-1.0	-55.65	281.86	2.84	-52.81
O=C([O-])C1C[C@@H]2C[C@H](NS(=O)(=O)C3=CC(C(F)F)=CC=N3)[C@@H]2C1	REAL300008043670	0	38	-1.0	-62.51	322.94	4.80	-57.71
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300008043671	0	49	-1.0	-54.63	388.52	7.32	-47.31
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1	REAL300008043672	0	40	-1.0	-47.39	323.23	7.41	-39.98
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043673	0	40	-1.0	-51.27	322.52	7.44	-43.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043674	0	43	-1.0	-55.11	337.20	7.87	-47.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043675	0	44	-1.0	-55.28	347.35	7.22	-48.06
CC1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1C(=O)[O-]	REAL300008043676	0	43	-1.0	-53.19	338.55	7.98	-45.21
O=C([O-])C1=C(S(=O)(=O)N2CCCSCC2C2CC2)C=CS1	REAL300008043677	0	37	-1.0	-46.76	303.29	6.79	-39.97
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043678	0	40	-1.0	-51.27	322.52	7.44	-43.83
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1	REAL300008043679	0	40	-1.0	-47.39	323.23	7.41	-39.98
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043680	0	40	-1.0	-45.65	304.23	7.38	-38.27
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2CC2)=CN1	REAL300008043681	0	38	-1.0	-49.18	313.54	5.17	-44.01
O=C([O-])CN1C=C(S(=O)(=O)N2CCCSCC2C2CC2)C=N1	REAL300008043682	0	40	-1.0	-50.46	329.63	5.58	-44.88
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)S1	REAL300008043683	0	37	-1.0	-48.27	316.31	6.68	-41.59
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043684	0	37	-1.0	-59.21	304.71	4.70	-54.51
O=C([O-])C1CCCN(S(=O)(=O)N2CCCSCC2C2CC2)C1	REAL300008043685	0	45	-1.0	-49.80	340.84	6.30	-43.50
O=C([O-])C1CCN(S(=O)(=O)N2CCCSCC2C2CC2)CC1	REAL300008043686	0	45	-1.0	-49.79	340.24	6.93	-42.86
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043687	0	40	-1.0	-45.65	304.23	7.38	-38.27
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043688	0	40	-1.0	-60.52	338.15	9.08	-51.44
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)O1	REAL300008043689	0	37	-1.0	-50.31	313.92	5.98	-44.33
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCSCC2C2CC2)O1	REAL300008043690	0	40	-1.0	-48.88	334.32	6.52	-42.36
O=C([O-])CCCS(=O)(=O)N1CCCSCC1C1CC1	REAL300008043691	0	39	-1.0	-51.41	315.40	6.19	-45.22
O=C([O-])C1CCCN1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043692	0	42	-1.0	-59.43	327.07	6.37	-53.06
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCSCC2C2CC2)C=C1	REAL300008043693	0	43	-1.0	-56.15	348.75	8.25	-47.90
O=C([O-])C1CCN(S(=O)(=O)N2CCCSCC2C2CC2)CC1	REAL300008043694	0	45	-1.0	-49.79	340.24	6.93	-42.86
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043695	0	43	-1.0	-57.98	348.75	8.24	-49.74
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)O1	REAL300008043696	0	37	-1.0	-50.31	313.92	5.98	-44.33
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1	REAL300008043697	0	44	-1.0	-47.06	353.69	7.65	-39.41
O=C([O-])CCCS(=O)(=O)N1CCCSCC1C1CC1	REAL300008043698	0	39	-1.0	-51.41	315.40	6.19	-45.22
O=C([O-])C1=CSC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043699	0	37	-1.0	-48.91	317.41	6.58	-42.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1C	REAL300008043700	0	46	-1.0	-56.74	347.94	8.25	-48.49
CC1=CC=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1C(=O)[O-]	REAL300008043701	0	43	-1.0	-52.28	336.94	8.40	-43.88
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043702	0	47	-1.0	-52.55	377.49	7.15	-45.40
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2CC2)=CS1	REAL300008043703	0	37	-1.0	-51.90	315.64	6.54	-45.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043704	0	43	-1.0	-45.39	325.58	7.21	-38.18
O=C([O-])C1=C(S(=O)(=O)N2CCCSCC2C2CC2)C2=CC=CC=C2S1	REAL300008043705	0	43	-1.0	-53.22	340.58	9.29	-43.93
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1	REAL300008043706	0	43	-1.0	-48.06	345.44	8.18	-39.88
O=C([O-])C1=COC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043707	0	37	-1.0	-48.27	314.73	5.73	-42.54
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043708	0	43	-1.0	-51.55	344.78	8.23	-43.32
CC1=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C(C(=O)[O-])O1	REAL300008043709	0	40	-1.0	-53.37	323.37	6.39	-46.98
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043710	0	39	-1.0	-47.97	318.01	5.66	-42.31
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043711	0	36	-1.0	-48.21	293.63	4.95	-43.26
O=C([O-])C1=C(S(=O)(=O)N2CCCSCC2C2CC2)SC=N1	REAL300008043712	0	36	-1.0	-69.01	308.85	5.15	-63.86
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043713	0	39	-1.0	-72.03	317.49	6.77	-65.26
O=C([O-])CCCCCS(=O)(=O)N1CCCSCC1C1CC1	REAL300008043714	0	45	-1.0	-52.15	358.39	7.75	-44.40
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=N1	REAL300008043715	0	39	-1.0	-49.97	318.60	5.67	-44.30
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043716	0	40	-1.0	-46.13	339.32	7.95	-38.18
COC1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1C(=O)[O-]	REAL300008043717	0	44	-1.0	-56.83	349.76	7.51	-49.32
CC1=CC(S(=O)(=O)N2CCCSCC2C2CC2)=CC=C1C(=O)[O-]	REAL300008043718	0	43	-1.0	-47.59	338.52	7.99	-39.60
CN(CCC(=O)[O-])S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043719	0	41	-1.0	-48.79	315.68	5.20	-43.59
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCCSCC3C3CC3)C=CC=C21	REAL300008043720	0	45	-1.0	-52.58	350.29	7.29	-45.29
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043721	0	47	-1.0	-52.55	377.49	7.15	-45.40
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043722	0	40	-1.0	-46.13	339.32	7.95	-38.18
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043723	0	40	-1.0	-47.93	315.69	7.47	-40.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043724	0	43	-1.0	-50.11	345.73	8.18	-41.93
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCCSCC3C3CC3)C=C21	REAL300008043725	0	46	-1.0	-49.87	369.29	8.78	-41.09
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCSCC2C2CC2)C=C1	REAL300008043726	0	43	-1.0	-56.15	348.75	8.25	-47.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043727	0	44	-1.0	-55.28	347.35	7.22	-48.06
CC1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1C(=O)[O-]	REAL300008043728	0	43	-1.0	-53.19	338.55	7.98	-45.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043729	0	43	-1.0	-55.11	337.20	7.87	-47.24
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043730	0	44	-1.0	-47.09	349.97	7.71	-39.38
O=C([O-])CC1(CS(=O)(=O)N2CCCSCC2C2CC2)CC1	REAL300008043731	0	43	-1.0	-47.33	336.19	7.38	-39.95
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043732	0	43	-1.0	-51.55	344.78	8.23	-43.32
COC1=C(S(=O)(=O)N2CCCSCC2C2CC2)SC(C(=O)[O-])=C1	REAL300008043733	0	41	-1.0	-47.48	344.67	6.75	-40.73
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCCSCC3C3CC3)=CC=C2O1	REAL300008043734	0	45	-1.0	-48.80	359.38	8.11	-40.69
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCCSCC3C3CC3)C=C2)CC1	REAL300008043735	0	47	-1.0	-51.73	371.36	9.11	-42.62
CCC1=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C(C(=O)[O-])O1	REAL300008043736	0	43	-1.0	-53.66	335.80	7.03	-46.63
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043737	0	42	-1.0	-62.90	349.53	9.17	-53.73
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCCSCC3C3CC3)=CC=C2S1	REAL300008043738	0	43	-1.0	-50.85	360.30	8.94	-41.91
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043739	0	42	-1.0	-52.76	349.62	9.24	-43.52
CC1=NC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1C(=O)[O-]	REAL300008043740	0	42	-1.0	-46.41	334.92	6.09	-40.32
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043741	0	44	-1.0	-48.68	347.39	7.23	-41.45
COC1=CC(S(=O)(=O)N2CCCSCC2C2CC2)=CC=C1C(=O)[O-]	REAL300008043742	0	44	-1.0	-53.74	349.81	7.51	-46.23
COC1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C(CC(=O)[O-])=C1	REAL300008043743	0	47	-1.0	-59.42	362.82	7.66	-51.76
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1F	REAL300008043744	0	43	-1.0	-49.34	350.25	8.28	-41.06
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1	REAL300008043745	0	49	-1.0	-49.61	377.54	9.05	-40.56
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043746	0	40	-1.0	-49.18	308.95	5.37	-43.81
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCCSCC3C3CC3)C=CC=C12	REAL300008043747	0	46	-1.0	-50.64	352.97	9.02	-41.62
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043748	0	40	-1.0	-51.14	332.46	6.59	-44.55
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2CC2)=CC=C1Cl	REAL300008043749	0	40	-1.0	-51.81	335.05	7.84	-43.97
O=C([O-])C1=C(S(=O)(=O)N2CCCSCC2C2CC2)OC=C1	REAL300008043750	0	37	-1.0	-63.67	311.39	5.95	-57.72
O=C([O-])C1(S(=O)(=O)N2CCCSCC2C2CC2)CCC1	REAL300008043751	0	40	-1.0	-42.45	309.70	6.31	-36.14
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043752	0	44	-1.0	-65.25	350.71	7.82	-57.43
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043753	0	37	-1.0	-59.21	304.71	4.70	-54.51
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043754	0	40	-1.0	-49.18	308.95	5.37	-43.81
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1C(=O)[O-]	REAL300008043755	0	42	-2.0	-135.93	349.40	8.40	-127.53
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043756	0	47	-1.0	-55.21	369.05	7.08	-48.13
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043757	0	39	-1.0	-48.57	324.66	5.54	-43.03
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCCSCC1C1CC1	REAL300008043758	0	43	-1.0	-54.28	338.56	8.64	-45.64
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCCSCC2C2CC2)=C1	REAL300008043759	0	37	-1.0	-45.59	328.81	6.28	-39.31
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C2=CC=CC=C12	REAL300008043760	0	46	-1.0	-50.97	352.58	9.02	-41.95
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043761	0	47	-1.0	-56.32	377.14	8.15	-48.17
COC1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C(C(=O)[O-])=C1	REAL300008043762	0	44	-1.0	-70.25	350.84	7.86	-62.39
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2CC2)=CC=N1	REAL300008043763	0	39	-1.0	-53.17	319.02	5.70	-47.47
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2CC2)=NN1	REAL300008043764	0	37	-1.0	-43.46	309.70	3.58	-39.88
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043765	0	40	-1.0	-54.68	324.34	5.16	-49.52
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCCSCC3C3CC3)C=C2C=C1	REAL300008043766	0	46	-1.0	-50.88	368.20	9.69	-41.19
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCCSCC2C2CC2)C1	REAL300008043767	0	40	-1.0	-51.39	315.58	6.69	-44.70
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCCSCC2C2CC2)C1	REAL300008043768	0	43	-1.0	-51.84	323.69	7.05	-44.79
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCSCC2C2CC2)S1	REAL300008043769	0	40	-1.0	-49.63	334.73	6.99	-42.64
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043770	0	46	-1.0	-73.42	367.02	10.84	-62.58
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043771	0	43	-1.0	-63.79	341.71	8.84	-54.95
O=C([O-])C1=NC(S(=O)(=O)N2CCCSCC2C2CC2)=C2C=CC=CN21	REAL300008043772	0	43	-1.0	-59.70	354.15	6.59	-53.11
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCCSCC3C3CC3)=C2C=C1	REAL300008043773	0	43	-1.0	-44.26	355.65	9.20	-35.06
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCCSCC1C1CC1	REAL300008043774	0	40	-1.0	-54.24	326.22	6.90	-47.34
O=C([O-])C1CCCCN1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043775	0	45	-1.0	-53.38	328.42	6.99	-46.39
O=C([O-])C1=CC(S(=O)(=O)N2CCCSCC2C2CC2)=NN1	REAL300008043776	0	37	-1.0	-43.46	309.70	3.58	-39.88
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043777	0	42	-1.0	-59.71	325.68	6.06	-53.65
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043778	0	37	-1.0	-59.21	304.71	4.70	-54.51
O=C([O-])C1=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C(Cl)S1	REAL300008043779	0	37	-1.0	-41.74	320.37	7.41	-34.33
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043780	0	40	-1.0	-56.74	306.92	7.29	-49.45
CC1=CC(S(=O)(=O)N2CCCSCC2C2CC2)=CN=C1C(=O)[O-]	REAL300008043781	0	42	-1.0	-50.11	335.05	6.20	-43.91
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043782	0	43	-1.0	-63.79	341.71	8.84	-54.95
CCOC1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1C(=O)[O-]	REAL300008043783	0	47	-1.0	-60.07	371.72	8.42	-51.65
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCCSCC3C3CC3)C=C2C1	REAL300008043784	0	47	-1.0	-47.57	367.65	9.34	-38.23
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCCSCC1C1CC1	REAL300008043785	0	39	-1.0	-43.70	298.20	5.47	-38.23
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCCSCC3C3CC3)C=C2C=C1	REAL300008043786	0	45	-1.0	-54.26	364.07	7.82	-46.44
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043787	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	REAL300008043788	0	32	-1.0	-45.16	288.18	5.25	-39.91
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300008043789	0	33	-1.0	-50.27	299.46	4.49	-45.78
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043790	0	35	-1.0	-53.71	319.81	1.65	-52.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300008043791	0	33	-1.0	-44.28	304.51	3.90	-40.38
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OC	REAL300008043792	0	40	-1.0	-49.97	325.14	3.82	-46.15
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043793	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	REAL300008043794	0	45	-1.0	-46.82	360.95	7.94	-38.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300008043795	0	35	-1.0	-50.80	303.01	3.26	-47.54
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300008043796	0	29	-1.0	-47.36	268.53	4.57	-42.79
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300008043797	0	29	-1.0	-45.80	280.39	4.75	-41.05
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043798	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	REAL300008043799	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	REAL300008043800	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	REAL300008043801	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	REAL300008043802	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	REAL300008043803	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	REAL300008043804	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	REAL300008043805	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	REAL300008043806	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	REAL300008043807	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	REAL300008043808	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	REAL300008043809	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	REAL300008043810	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	REAL300008043811	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	REAL300008043812	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	REAL300008043813	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	REAL300008043814	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	REAL300008043815	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	REAL300008043816	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	REAL300008043817	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	REAL300008043818	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	REAL300008043819	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	REAL300008043820	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	REAL300008043821	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	REAL300008043822	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	REAL300008043823	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	REAL300008043824	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	REAL300008043825	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	REAL300008043826	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	REAL300008043827	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	REAL300008043828	0	40	-1.0	-54.13	338.91	3.71	-50.42
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053001	0	34	-1.0	-57.50	304.05	-3.05	-60.55
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3CCS(=O)(=O)N3)C=CC=C12	REAL300008053002	0	40	-1.0	-66.00	347.96	0.87	-65.13
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2CCS(=O)(=O)N2)=C1	REAL300008053003	0	34	-1.0	-61.46	314.90	-2.41	-63.87
O=C([O-])C1=CC(S(=O)(=O)NCC2CCS(=O)(=O)N2)=CC=C1Cl	REAL300008053004	0	34	-1.0	-67.18	324.68	-0.99	-68.17
O=C([O-])C1=C(S(=O)(=O)NCC2CCS(=O)(=O)N2)OC=C1	REAL300008053005	0	31	-1.0	-64.96	290.13	-2.55	-67.51
O=C([O-])C1(S(=O)(=O)NCC2CCS(=O)(=O)N2)CCC1	REAL300008053006	0	34	-1.0	-52.55	297.03	-2.22	-54.77
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2CCS(=O)(=O)N2)=C1	REAL300008053007	0	38	-1.0	-63.30	330.57	-1.15	-64.45
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053008	0	31	-1.0	-63.61	289.02	-4.38	-67.99
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053009	0	34	-1.0	-57.50	304.05	-3.05	-60.55
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCS(=O)(=O)N2)C=C1C(=O)[O-]	REAL300008053010	0	36	-2.0	-154.15	339.03	-0.42	-154.57
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053011	0	41	-1.0	-63.04	358.39	-1.23	-64.27
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2CCS(=O)(=O)N2)=C1	REAL300008053012	0	33	-1.0	-58.07	308.36	-3.26	-61.33
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053013	0	37	-1.0	-68.85	327.21	-0.31	-69.16
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2CCS(=O)(=O)N2)=C1	REAL300008053014	0	31	-1.0	-60.61	311.84	-2.73	-63.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCS(=O)(=O)N2)=C1	REAL300008053014	1	30	-2.0	-103.44	311.25	-3.20	-106.64
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCS(=O)(=O)N2)C2=CC=CC=C12	REAL300008053015	0	40	-1.0	-63.85	347.66	0.89	-62.96
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053016	0	41	-1.0	-69.18	352.83	-0.69	-69.87
COC1=CC=C(S(=O)(=O)NCC2CCS(=O)(=O)N2)C(C(=O)[O-])=C1	REAL300008053017	0	38	-1.0	-59.63	332.28	-1.30	-60.93
O=C([O-])C1=CC(S(=O)(=O)NCC2CCS(=O)(=O)N2)=CC=N1	REAL300008053018	0	33	-1.0	-64.97	308.24	-3.16	-68.13
O=C([O-])C1=CC(S(=O)(=O)NCC2CCS(=O)(=O)N2)=NN1	REAL300008053019	0	31	-1.0	-56.41	295.66	-5.13	-61.54
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053020	0	34	-1.0	-65.00	314.42	-3.67	-68.67
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC3CCS(=O)(=O)N3)C=C2C=C1	REAL300008053021	0	40	-1.0	-65.90	358.07	0.88	-65.02
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2CCS(=O)(=O)N2)C1	REAL300008053022	0	34	-1.0	-67.16	300.92	-2.35	-69.51
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2CCS(=O)(=O)N2)C1	REAL300008053023	0	37	-1.0	-64.88	319.19	-1.68	-66.56
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CCS(=O)(=O)N2)S1	REAL300008053024	0	34	-1.0	-64.98	322.25	-1.69	-66.67
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053025	0	40	-1.0	-68.69	346.74	1.81	-66.88
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053026	0	37	-1.0	-69.23	324.55	-0.19	-69.42
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC1CCS(=O)(=O)N1)=C2	REAL300008053027	0	34	-1.0	-62.37	341.90	-0.79	-63.16
O=C([O-])C1=NC(S(=O)(=O)NCC2CCS(=O)(=O)N2)=C2C=CC=CN12	REAL300008053028	0	37	-1.0	-84.42	338.48	-2.75	-87.17
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC3CCS(=O)(=O)N3)=C2C=C1	REAL300008053029	0	37	-1.0	-57.13	337.71	-0.00	-57.13
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053030	0	34	-1.0	-69.26	309.15	-2.05	-71.31
O=C([O-])C1CCCCN1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053031	0	39	-1.0	-62.43	319.25	-1.32	-63.75
O=C([O-])C1=CC(S(=O)(=O)NCC2CCS(=O)(=O)N2)=NN1	REAL300008053032	0	31	-1.0	-56.41	295.66	-5.13	-61.54
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053033	0	36	-1.0	-73.35	312.29	-2.23	-75.58
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053034	0	31	-1.0	-63.61	289.02	-4.38	-67.99
O=C([O-])C1=C(S(=O)(=O)NCC2CCS(=O)(=O)N2)C=C(Cl)S1	REAL300008053035	0	31	-1.0	-56.43	312.35	-0.97	-57.40
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053036	0	34	-1.0	-67.04	294.30	-1.54	-68.58
CC1=CC(S(=O)(=O)NCC2CCS(=O)(=O)N2)=CN=C1C(=O)[O-]	REAL300008053037	0	36	-1.0	-66.82	324.57	-2.62	-69.44
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053038	0	37	-1.0	-69.23	324.55	-0.19	-69.42
CCOC1=CC=C(S(=O)(=O)NCC2CCS(=O)(=O)N2)C=C1C(=O)[O-]	REAL300008053039	0	41	-1.0	-67.89	361.31	-0.40	-68.29
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3CCS(=O)(=O)N3)C=C2C1	REAL300008053040	0	41	-1.0	-62.72	356.27	0.49	-62.23
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1CCS(=O)(=O)N1	REAL300008053041	0	33	-1.0	-58.85	296.98	-2.29	-61.14
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC3CCS(=O)(=O)N3)C=C2C=C1	REAL300008053042	0	39	-1.0	-70.24	353.92	-0.98	-71.22
C=CCCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300008053043	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-]	REAL300008053044	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-]	REAL300008053045	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-]	REAL300008053046	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-]	REAL300008053047	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-]	REAL300008053048	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-]	REAL300008053049	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-]	REAL300008053050	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-]	REAL300008053051	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-]	REAL300008053052	0	35	-1.0	-39.07	316.44	5.67	-33.40
C=CCCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300008053053	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-]	REAL300008053054	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-]	REAL300008053055	0	48	-1.0	-52.70	391.46	8.15	-44.55
C=CCCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008053056	0	38	-1.0	-56.02	334.30	3.49	-52.53
C=CCCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008053057	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-]	REAL300008053058	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-]	REAL300008053059	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-]	REAL300008053060	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-]	REAL300008053061	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-]	REAL300008053062	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-]	REAL300008053063	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-]	REAL300008053064	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-]	REAL300008053065	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-]	REAL300008053066	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-]	REAL300008053067	0	41	-1.0	-66.07	374.62	2.55	-63.52
C=CCCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008053068	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-]	REAL300008053069	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-]	REAL300008053070	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-]	REAL300008053071	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-]	REAL300008053072	0	37	-1.0	-47.19	331.58	4.78	-42.41
C=CCCC(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300008053073	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-]	REAL300008053074	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-]	REAL300008053075	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-]	REAL300008053076	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-]	REAL300008053077	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-]	REAL300008053078	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-]	REAL300008053079	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-]	REAL300008053080	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-]	REAL300008053081	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-]	REAL300008053082	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-]	REAL300008053083	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-]	REAL300008053084	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-]	REAL300008053085	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-]	REAL300008053086	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-]	REAL300008053087	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-]	REAL300008053088	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-]	REAL300008053089	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-]	REAL300008053090	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-]	REAL300008053091	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-]	REAL300008053092	0	43	-1.0	-46.07	355.89	4.20	-41.87
CC1=C(CN(C)S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300008066001	0	44	-1.0	-58.12	352.83	7.93	-50.19
CC1=C(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C2=CC=CC=C2O1	REAL300008066002	0	41	-1.0	-52.60	362.44	8.06	-44.54
CC1=C(CN(C)S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C2=CC=CC=C2O1	REAL300008066003	0	44	-1.0	-57.63	363.38	9.08	-48.55
CC1=C(CN(C)S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C2=CC=CC=C2O1	REAL300008066004	0	44	-1.0	-70.08	379.45	6.64	-63.44
CC1=C(CN(C)S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C2=CC=CC=C2O1	REAL300008066005	0	44	-1.0	-46.26	381.23	9.21	-37.05
CC1=C(CN(C)S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300008066006	0	41	-1.0	-56.86	346.76	7.05	-49.81
CC1=C(CN(C)S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300008066007	0	46	-1.0	-58.68	362.00	7.71	-50.97
CC1=C(CN(C)S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300008066008	0	38	-1.0	-48.22	338.11	4.27	-43.95
CC1=C(CN(C)S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300008066009	0	43	-1.0	-64.71	349.88	7.22	-57.49
CC1=C(CN(C)S(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008066010	0	38	-1.0	-56.45	326.31	5.03	-51.42
CC1=C(CN(C)S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C2=CC=CC=C2O1	REAL300008066011	0	38	-1.0	-61.84	352.37	8.24	-53.60
CC1=C(CN(C)S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300008066012	0	41	-1.0	-65.84	337.18	7.91	-57.93
CC1=C(CN(C)S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C2O1	REAL300008066013	0	43	-1.0	-53.93	365.26	6.68	-47.25
CC1=C(CN(C)S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C2=CC=CC=C2O1	REAL300008066014	0	44	-1.0	-57.63	363.38	9.08	-48.55
CC1=C(CN(C)S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=CC=CC=C2O1	REAL300008066015	0	48	-1.0	-54.98	401.04	10.06	-44.92
CC1=C(CN(C)S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008066016	0	40	-1.0	-60.37	342.55	7.46	-52.91
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300008066017	0	48	-1.0	-51.36	386.50	9.60	-41.76
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)=C1C	REAL300008066018	0	48	-1.0	-55.09	386.48	9.58	-45.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300008066019	0	51	-1.0	-57.07	389.72	9.90	-47.17
CC1=CC=C(S(=O)(=O)N2CCC(C3=CC=CC(C)=C3C)CC2)C=C1C(=O)[O-]	REAL300008066020	0	51	-1.0	-52.61	401.94	10.15	-42.46
CC1=CC=CC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)CC2)=C1C	REAL300008066021	0	45	-1.0	-63.43	371.86	9.35	-54.08
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)=C1C	REAL300008066022	0	48	-1.0	-55.09	386.48	9.58	-45.51
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300008066023	0	48	-1.0	-51.36	386.50	9.60	-41.76
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CC2)=C1C	REAL300008066024	0	48	-1.0	-69.26	376.51	10.63	-58.63
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)CC2)=C1C	REAL300008066025	0	46	-1.0	-51.26	374.53	7.36	-43.90
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CN(CC(=O)[O-])N=C3)CC2)=C1C	REAL300008066026	0	48	-1.0	-49.58	390.57	7.76	-41.82
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)CC2)=C1C	REAL300008066027	0	45	-1.0	-47.98	378.27	8.75	-39.23
CC1=CC=CC(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2)=C1C	REAL300008066028	0	45	-1.0	-52.12	359.67	6.53	-45.59
CC1=CC=CC(C2CCN(S(=O)(=O)N3CCCC(C(=O)[O-])C3)CC2)=C1C	REAL300008066029	0	53	-1.0	-50.16	400.35	8.57	-41.59
CC1=CC=CC(C2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)=C1C	REAL300008066030	0	53	-1.0	-51.59	400.70	8.59	-43.00
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CC2)=C1C	REAL300008066031	0	48	-1.0	-69.26	376.51	10.63	-58.63
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)=C1C	REAL300008066032	0	45	-1.0	-49.95	370.81	7.99	-41.96
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C3=C(C)C(C)=CC=C3)CC2)O1	REAL300008066033	0	48	-1.0	-49.72	390.61	8.51	-41.21
CC1=CC=CC(C2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)=C1C	REAL300008066034	0	47	-1.0	-51.61	372.57	8.24	-43.37
CC1=CC=CC(C2CCN(S(=O)(=O)N3CCCC3C(=O)[O-])CC2)=C1C	REAL300008066035	0	50	-1.0	-60.36	385.66	8.75	-51.61
CC1=CC=CC(C2CCN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300008066036	0	51	-1.0	-59.27	409.79	10.34	-48.93
CC1=CC=CC(C2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)=C1C	REAL300008066037	0	53	-1.0	-51.59	400.70	8.59	-43.00
CC1=CC=CC(C2CCN(S(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2)=C1C	REAL300008066038	0	51	-1.0	-59.08	410.34	10.34	-48.74
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)=C1C	REAL300008066039	0	45	-1.0	-49.95	370.81	7.99	-41.96
CC1=CC=CC(C2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)=C1C	REAL300008066040	0	47	-1.0	-51.61	372.57	8.24	-43.37
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=C1C	REAL300008066041	0	45	-1.0	-49.84	379.20	8.64	-41.20
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC(C)=C3C(=O)[O-])CC2)=C1C	REAL300008066042	0	51	-1.0	-54.91	394.14	10.54	-44.37
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)CC2)=C1C	REAL300008066043	0	45	-1.0	-53.70	378.14	8.62	-45.08
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)CC2)=C1C	REAL300008066044	0	51	-1.0	-48.91	387.12	9.81	-39.10
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2)=C1C	REAL300008066045	0	51	-1.0	-50.20	408.72	10.36	-39.84
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CC2)=C1C	REAL300008066046	0	45	-1.0	-49.26	371.05	7.72	-41.54
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2)=C1C	REAL300008066047	0	51	-1.0	-52.83	408.65	10.35	-42.48
CC1=C(S(=O)(=O)N2CCC(C3=C(C)C(C)=CC=C3)CC2)C=C(C(=O)[O-])O1	REAL300008066048	0	48	-1.0	-54.25	384.15	8.56	-45.69
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)CC2)=C1C	REAL300008066049	0	47	-1.0	-49.79	381.69	7.79	-42.00
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CSN=C3C(=O)[O-])CC2)=C1C	REAL300008066050	0	44	-1.0	-68.29	366.95	7.80	-60.49
CC1=CC=CC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])N=CS3)CC2)=C1C	REAL300008066051	0	44	-1.0	-67.97	368.43	7.41	-60.56
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CN=C3C(=O)[O-])CC2)=C1C	REAL300008066052	0	47	-1.0	-72.06	374.90	8.92	-63.14
CC1=CC=CC(C2CCN(S(=O)(=O)CCCCCC(=O)[O-])CC2)=C1C	REAL300008066053	0	53	-1.0	-52.53	415.56	9.79	-42.74
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)CC2)=C1C	REAL300008066054	0	47	-1.0	-53.73	382.35	7.79	-45.94
CC1=CC(S(=O)(=O)N2CCC(C3=CC=CC(C)=C3C)CC2)=CC=C1C(=O)[O-]	REAL300008066055	0	51	-1.0	-48.51	401.87	10.16	-38.35
CC1=CC=CC(C2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)=C1C	REAL300008066056	0	49	-1.0	-47.88	383.88	7.75	-40.13
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=C(C)C(C)=CC=C2)CC1	REAL300008066057	0	48	-1.0	-50.53	378.15	9.82	-40.71
CC1=CC=CC(C2CCN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300008066058	0	51	-1.0	-59.27	409.79	10.34	-48.93
CC1=CC=C(S(=O)(=O)N2CCC(C3=CC=CC(C)=C3C)CC2)C=C1C(=O)[O-]	REAL300008066059	0	51	-1.0	-52.61	401.94	10.15	-42.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300008066060	0	51	-1.0	-57.07	389.72	9.90	-47.17
CC1=CC=CC(C2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2)=C1C	REAL300008066061	0	51	-1.0	-52.85	397.53	9.47	-43.38
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2)=C1C	REAL300008066062	0	51	-1.0	-52.83	408.65	10.35	-42.48
CCC1=C(S(=O)(=O)N2CCC(C3=CC=CC(C)=C3C)CC2)C=C(C(=O)[O-])O1	REAL300008066063	0	51	-1.0	-53.47	404.88	9.21	-44.26
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CN=C(C)C(C(=O)[O-])=C3)CC2)=C1C	REAL300008066064	0	50	-1.0	-48.42	400.76	8.42	-40.00
CC1=CC=CC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CC2)=C1C	REAL300008066065	0	48	-1.0	-51.72	376.72	8.00	-43.72
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC(C3=CC=CC(C)=C3C)CC2)=C1	REAL300008066066	0	48	-1.0	-50.97	388.74	8.57	-42.40
CC1=CC=CC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CC2)=C1C	REAL300008066067	0	45	-1.0	-62.65	367.40	8.02	-54.63
CC1=CC=CC(C2CCN(S(=O)(=O)C3(C(=O)[O-])CCC3)CC2)=C1C	REAL300008066068	0	48	-1.0	-44.55	359.29	8.30	-36.25
CC1=CC=CC(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2)=C1C	REAL300008066069	0	45	-1.0	-52.12	359.67	6.53	-45.59
CC1=CC=CC(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CC2)=C1C	REAL300008066070	0	48	-1.0	-51.72	376.72	8.00	-43.72
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CC2)=C1C	REAL300008066071	0	47	-1.0	-50.88	383.00	7.69	-43.19
CC1=CC=CC(C2CCN(S(=O)(=O)CC3=CC=CC=C3C(=O)[O-])CC2)=C1C	REAL300008066072	0	51	-1.0	-57.10	400.04	10.71	-46.39
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CC2)=C1C	REAL300008066073	0	45	-1.0	-49.49	386.16	8.24	-41.25
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=NC(C(=O)[O-])=C3)CC2)=C1C	REAL300008066074	0	47	-1.0	-55.06	382.07	7.84	-47.22
CC1=CC=CC(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CC2)=C1C	REAL300008066075	0	45	-1.0	-44.02	369.53	5.86	-38.16
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=NN3C)CC2)=C1C	REAL300008066076	0	48	-1.0	-55.00	386.50	7.41	-47.59
CC1=CC=CC(C2CCN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=C1C	REAL300008066077	0	48	-1.0	-54.71	375.40	8.75	-45.96
CC1=CC=CC(C2CCN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=C1C	REAL300008066078	0	51	-1.0	-54.12	389.35	9.17	-44.95
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C3=C(C)C(C)=CC=C3)CC2)S1	REAL300008066079	0	48	-1.0	-50.01	397.33	9.34	-40.67
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CC2)=C1C	REAL300008066080	0	51	-1.0	-64.86	400.28	10.89	-53.97
CC1=CC=CC(C2CCN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])CC2)=C1C	REAL300008066081	0	48	-1.0	-54.05	382.54	8.91	-45.14
CC1=CC=CC(C2CCN(S(=O)(=O)N3CCCCC3C(=O)[O-])CC2)=C1C	REAL300008066082	0	53	-1.0	-52.45	387.99	9.28	-43.17
CC1=CC=CC(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CC2)=C1C	REAL300008066083	0	45	-1.0	-44.02	369.53	5.86	-38.16
CC1=CC=CC(C2CCN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CC2)=C1C	REAL300008066084	0	50	-1.0	-58.79	385.59	8.70	-50.09
CC1=CC=CC(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2)=C1C	REAL300008066085	0	45	-1.0	-52.12	359.67	6.53	-45.59
CC1=CC=CC(C2CCN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)=C1C	REAL300008066086	0	48	-1.0	-60.54	366.37	9.32	-51.22
CC1=CC(S(=O)(=O)N2CCC(C3=CC=CC(C)=C3C)CC2)=CN=C1C(=O)[O-]	REAL300008066087	0	50	-1.0	-51.37	398.30	8.36	-43.01
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CC2)=C1C	REAL300008066088	0	51	-1.0	-64.86	400.28	10.89	-53.97
CC1=CC=CC(C2CCN(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])CC2)=C1C	REAL300008066089	0	47	-1.0	-60.68	374.00	8.97	-51.71
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)C=C1	REAL300008066090	0	43	-1.0	-58.05	368.85	0.72	-57.33
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=C1	REAL300008066091	0	43	-1.0	-58.54	369.31	0.67	-57.87
O=C([O-])C1=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)C=CS1	REAL300008066092	0	40	-1.0	-67.41	355.15	0.46	-66.95
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=C1	REAL300008066093	0	43	-1.0	-58.54	369.31	0.67	-57.87
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)C=C1	REAL300008066094	0	43	-1.0	-58.05	368.85	0.72	-57.33
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066095	0	43	-1.0	-74.50	354.65	1.60	-72.90
O=C([O-])C1=CC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=CN1	REAL300008066096	0	41	-1.0	-56.91	357.83	-1.59	-58.50
O=C([O-])CN1C=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)C=N1	REAL300008066097	0	43	-1.0	-58.89	373.41	-1.16	-60.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)S1	REAL300008066098	0	40	-1.0	-53.14	361.60	-0.20	-53.34
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066099	0	40	-1.0	-57.29	342.61	-2.43	-59.72
O=C([O-])C1CCCN(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)C1	REAL300008066100	0	48	-1.0	-54.98	383.00	-0.34	-55.32
O=C([O-])C1CCN(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)CC1	REAL300008066101	0	48	-1.0	-56.58	387.80	-0.14	-56.72
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066102	0	43	-1.0	-74.50	354.65	1.60	-72.90
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)O1	REAL300008066103	0	40	-1.0	-55.33	354.44	-0.96	-56.29
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)O1	REAL300008066104	0	43	-1.0	-55.47	372.33	-0.48	-55.95
O=C([O-])CCCS(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066105	0	42	-1.0	-59.22	354.87	-0.67	-59.89
O=C([O-])C1CCCN1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066106	0	45	-1.0	-67.19	369.01	-0.17	-67.36
O=C([O-])C1CCN(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)CC1	REAL300008066107	0	48	-1.0	-56.58	387.80	-0.14	-56.72
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)O1	REAL300008066108	0	40	-1.0	-55.33	354.44	-0.96	-56.29
O=C([O-])CCCS(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066109	0	42	-1.0	-59.22	354.87	-0.67	-59.89
O=C([O-])C1=CSC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=C1	REAL300008066110	0	40	-1.0	-55.73	362.53	-0.29	-56.02
O=C([O-])C1=CC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=CS1	REAL300008066111	0	40	-1.0	-56.71	360.96	-0.28	-56.99
O=C([O-])C1=COC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=C1	REAL300008066112	0	40	-1.0	-54.92	354.34	-1.21	-56.13
CC1=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)C=C(C(=O)[O-])O1	REAL300008066113	0	43	-1.0	-62.15	367.01	-0.34	-62.49
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=C1	REAL300008066114	0	42	-1.0	-52.62	364.48	-1.12	-53.74
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066115	0	39	-1.0	-73.32	345.01	-1.30	-74.62
O=C([O-])C1=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)SC=N1	REAL300008066116	0	39	-1.0	-73.59	348.25	-1.66	-75.25
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066117	0	42	-1.0	-75.28	358.11	0.13	-75.15
O=C([O-])CCCCCS(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066118	0	48	-1.0	-61.73	398.37	0.88	-60.85
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)C=N1	REAL300008066119	0	42	-1.0	-56.53	365.17	-1.11	-57.64
CN(CCC(=O)[O-])S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066120	0	44	-1.0	-55.38	365.04	-1.23	-56.61
O=C([O-])CC1(CS(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)CC1	REAL300008066121	0	46	-1.0	-58.37	380.54	0.55	-57.82
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066122	0	43	-1.0	-56.96	357.34	-1.12	-58.08
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=C1	REAL300008066123	0	43	-1.0	-56.21	372.06	-0.35	-56.56
O=C([O-])C1=C(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)OC=C1	REAL300008066124	0	40	-1.0	-67.47	347.82	-0.56	-68.03
O=C([O-])C1(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)CCC1	REAL300008066125	0	43	-1.0	-50.83	347.04	-0.48	-51.31
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066126	0	40	-1.0	-57.29	342.61	-2.43	-59.72
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066127	0	43	-1.0	-56.96	357.34	-1.12	-58.08
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=C1	REAL300008066128	0	42	-1.0	-58.28	366.26	-1.23	-59.51
O=C([O-])C1=CC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=CC=N1	REAL300008066129	0	42	-1.0	-61.27	365.37	-1.09	-62.36
O=C([O-])C1=CC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=NN1	REAL300008066130	0	40	-1.0	-49.22	353.16	-3.06	-52.28
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066131	0	43	-1.0	-60.29	370.17	-1.54	-61.83
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)C1	REAL300008066132	0	43	-1.0	-60.86	360.05	-0.14	-61.00
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)C1	REAL300008066133	0	46	-1.0	-61.16	374.56	0.36	-60.80
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066134	0	43	-1.0	-61.84	366.41	0.02	-61.82
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066135	0	48	-1.0	-58.81	373.07	0.47	-58.34
O=C([O-])C1=CC(S(=O)(=O)N2CCC(N3CCNS3(=O)=O)CC2)=NN1	REAL300008066136	0	40	-1.0	-49.22	353.16	-3.06	-52.28
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066137	0	45	-1.0	-66.42	369.44	-0.19	-66.61
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066138	0	40	-1.0	-57.29	342.61	-2.43	-59.72
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066139	0	43	-1.0	-66.20	350.08	0.42	-65.78
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC(N2CCNS2(=O)=O)CC1	REAL300008066140	0	42	-1.0	-65.01	350.09	-0.22	-65.23
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066141	0	37	-1.0	-66.06	310.29	5.86	-60.20
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066142	0	44	-1.0	-59.73	346.13	7.95	-51.78
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300008066143	0	29	-1.0	-56.86	278.39	5.11	-51.75
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066144	0	39	-1.0	-52.90	313.75	5.32	-47.58
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066145	0	35	-1.0	-59.93	309.06	6.92	-53.01
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008066146	0	36	-1.0	-46.49	308.68	5.13	-41.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008066147	0	38	-1.0	-65.38	331.64	2.98	-62.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008066148	0	36	-1.0	-55.58	313.52	5.17	-50.41
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OC	REAL300008066149	0	43	-1.0	-63.47	346.41	5.51	-57.96
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066150	0	35	-1.0	-46.08	291.95	5.73	-40.35
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066151	0	43	-1.0	-59.32	322.41	5.80	-53.52
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066152	0	38	-1.0	-61.90	300.22	4.22	-57.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008066153	0	48	-1.0	-59.56	369.47	9.20	-50.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008066154	0	38	-1.0	-62.16	311.98	4.52	-57.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300008066155	0	32	-1.0	-45.64	274.54	5.13	-40.51
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008066156	0	32	-1.0	-57.22	288.83	6.00	-51.22
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066157	0	37	-1.0	-44.50	291.69	6.54	-37.96
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008066158	0	38	-1.0	-63.42	334.25	7.58	-55.84
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066159	0	42	-1.0	-72.61	353.47	2.08	-70.53
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066160	0	43	-1.0	-59.24	353.50	7.28	-51.96
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066161	0	35	-1.0	-56.95	295.30	6.11	-50.84
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008066162	0	38	-1.0	-59.95	316.54	5.99	-53.96
COCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066163	0	39	-1.0	-61.04	322.69	5.12	-55.92
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300008066164	0	38	-1.0	-43.53	311.48	2.32	-41.21
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008066165	0	41	-1.0	-73.77	352.65	3.61	-70.16
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(C)(=O)=O	REAL300008066166	0	37	-1.0	-77.40	319.10	1.56	-75.84
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1C	REAL300008066167	0	42	-1.0	-64.04	332.38	6.22	-57.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008066168	0	37	-1.0	-51.52	323.64	5.32	-46.20
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008066169	0	35	-1.0	-62.04	315.27	6.87	-55.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008066170	0	37	-1.0	-62.04	308.29	5.75	-56.29
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300008066171	0	42	-1.0	-65.01	339.08	0.97	-64.04
CN(C1CCOCC1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066172	0	41	-1.0	-59.21	313.18	3.40	-55.81
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008066173	0	41	-1.0	-55.35	334.43	5.70	-49.65
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300008066174	0	41	-1.0	-52.91	322.36	4.62	-48.29
CC(C)N1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300008066175	0	38	-1.0	-44.78	307.74	3.70	-41.08
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066176	0	41	-1.0	-68.41	336.12	6.67	-61.74
CC(C)N1C=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066177	0	38	-1.0	-67.81	317.04	6.08	-61.73
CC(C)C1=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1	REAL300008066178	0	38	-1.0	-64.20	312.39	4.40	-59.80
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066179	0	44	-1.0	-63.81	325.85	8.20	-55.61
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008066180	0	45	-1.0	-73.64	375.70	8.52	-65.12
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066181	0	40	-1.0	-66.15	333.91	4.79	-61.36
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OC	REAL300008066182	0	40	-1.0	-48.75	331.68	4.25	-44.50
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Br	REAL300008066183	0	35	-1.0	-57.42	307.00	6.56	-50.86
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066184	0	35	-1.0	-63.80	292.52	6.34	-57.46
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008066185	0	38	-1.0	-65.45	326.59	8.32	-57.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008066186	0	37	-1.0	-42.78	319.72	6.73	-36.05
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008066187	0	36	-1.0	-59.11	312.93	5.01	-54.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008066188	0	39	-1.0	-50.13	328.63	6.33	-43.80
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066189	0	47	-1.0	-61.08	355.43	6.19	-54.89
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008066190	0	35	-1.0	-58.92	301.79	6.32	-52.60
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066191	0	43	-1.0	-53.95	347.06	4.36	-49.59
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067001	0	42	-2.0	-133.98	351.18	6.77	-127.21
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1C	REAL300008067002	0	42	-2.0	-126.10	358.34	2.92	-123.18
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300008067003	0	44	-2.0	-123.11	345.11	5.82	-117.29
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008067004	0	44	-2.0	-122.62	347.71	5.59	-117.03
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300008067005	0	42	-2.0	-125.54	337.63	6.33	-119.21
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300008067006	0	39	-2.0	-125.18	324.38	5.83	-119.35
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300008067007	0	39	-2.0	-121.00	345.71	5.96	-115.04
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067008	0	42	-2.0	-130.72	357.55	6.52	-124.20
CN(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067009	0	36	-2.0	-121.09	298.65	3.86	-117.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300008067010	0	44	-2.0	-126.31	380.42	6.83	-119.48
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)CC1	REAL300008067011	0	37	-2.0	-138.04	321.04	4.40	-133.64
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067012	0	56	-2.0	-123.97	434.25	8.30	-115.67
CC1=CC=CC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067013	0	40	-2.0	-125.73	339.65	6.65	-119.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2)CC1	REAL300008067014	0	37	-2.0	-125.25	324.66	6.07	-119.18
CC1=CC=CC=C1CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067015	0	40	-2.0	-124.36	333.08	6.51	-117.85
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067016	0	44	-2.0	-127.01	360.00	6.69	-120.32
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1	REAL300008067017	0	39	-2.0	-133.03	342.73	5.43	-127.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300008067018	0	41	-2.0	-126.51	355.02	6.38	-120.13
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067019	0	50	-2.0	-122.04	409.36	7.82	-114.22
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CC1	REAL300008067020	0	44	-2.0	-124.81	338.71	7.35	-117.46
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CC1	REAL300008067021	0	40	-2.0	-126.81	341.98	7.03	-119.78
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3COCC3=C2)CC1	REAL300008067022	0	39	-2.0	-122.53	330.43	4.55	-117.98
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300008067023	0	42	-2.0	-133.95	358.14	6.53	-127.42
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1	REAL300008067024	0	40	-2.0	-130.38	335.57	1.68	-128.70
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1	REAL300008067025	0	39	-2.0	-125.90	341.79	5.41	-120.49
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300008067026	0	44	-2.0	-123.03	348.90	5.78	-117.25
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300008067027	0	38	-2.0	-125.34	326.63	5.37	-119.97
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067028	0	38	-2.0	-122.36	333.72	6.25	-116.11
CCCCCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067029	0	45	-2.0	-122.60	364.86	6.82	-115.78
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300008067030	0	40	-2.0	-125.39	357.30	7.02	-118.37
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067031	0	45	-2.0	-124.62	368.22	7.27	-117.35
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1C	REAL300008067032	0	40	-2.0	-130.51	340.00	5.06	-125.45
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)CC1	REAL300008067033	0	40	-2.0	-126.81	328.85	4.80	-122.01
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)CC1	REAL300008067034	0	39	-2.0	-125.00	324.58	5.34	-119.66
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCO2)CC1	REAL300008067035	0	38	-2.0	-126.20	312.93	3.56	-122.64
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCO2)CC1	REAL300008067036	0	41	-2.0	-125.72	331.96	4.50	-121.22
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300008067037	0	40	-2.0	-122.28	348.88	6.77	-115.51
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1	REAL300008067038	0	43	-2.0	-124.31	359.29	6.85	-117.46
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300008067039	0	42	-2.0	-124.61	360.77	4.98	-119.63
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067040	0	41	-2.0	-127.05	363.15	5.88	-121.17
COCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067041	0	41	-2.0	-123.69	349.52	4.97	-118.72
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2O1	REAL300008067042	0	45	-2.0	-130.23	368.96	6.57	-123.66
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067043	0	37	-2.0	-125.17	320.52	3.82	-121.35
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2Cl)CC1	REAL300008067044	0	37	-2.0	-125.39	330.76	6.38	-119.01
CC(C1CC1)N(C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067045	0	42	-2.0	-121.92	332.30	5.09	-116.83
CN1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067046	0	34	-2.0	-119.27	291.91	2.69	-116.58
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300008067047	0	37	-2.0	-126.82	345.12	6.88	-119.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCOC2)CC1	REAL300008067048	0	38	-2.0	-123.67	312.77	3.12	-120.55
CC1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C2O1	REAL300008067049	0	42	-2.0	-123.93	351.51	5.87	-118.06
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067050	0	46	-2.0	-123.37	343.30	7.75	-115.62
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300008067051	0	40	-2.0	-126.34	360.87	5.95	-120.39
CCCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067052	0	39	-2.0	-122.41	321.87	5.25	-117.16
COCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067053	0	39	-2.0	-124.92	323.83	3.05	-121.87
CN(CC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067054	0	39	-2.0	-124.14	313.66	4.48	-119.66
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)=CO1	REAL300008067055	0	43	-2.0	-127.37	369.91	4.30	-123.07
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300008067056	0	37	-2.0	-128.45	321.89	3.64	-124.81
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)O1	REAL300008067057	0	37	-2.0	-121.33	311.78	4.63	-116.70
CC1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067058	0	34	-2.0	-121.88	308.01	4.92	-116.96
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300008067059	0	37	-2.0	-125.45	323.29	5.62	-119.83
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)CC1	REAL300008067060	0	37	-2.0	-122.64	320.49	3.91	-118.73
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067061	0	37	-2.0	-121.98	321.62	1.94	-120.04
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CO2)CC1	REAL300008067062	0	31	-2.0	-122.72	277.12	3.25	-119.47
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3CCCN23)CC1	REAL300008067063	0	38	-2.0	-126.14	322.42	4.70	-121.44
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=COC=C2)CC1	REAL300008067064	0	31	-2.0	-122.66	276.98	3.14	-119.52
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300008067065	0	34	-2.0	-122.62	298.83	4.94	-117.68
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)CC1	REAL300008067066	0	42	-2.0	-124.56	348.15	5.88	-118.68
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)CC1	REAL300008067067	0	41	-2.0	-124.98	337.39	7.06	-117.92
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2CCOC2)CC1	REAL300008067068	0	35	-2.0	-121.89	289.73	2.29	-119.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC=N2)CC1	REAL300008067069	0	31	-2.0	-128.91	275.74	2.65	-126.26
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=N2)C=C1	REAL300008067070	0	44	-2.0	-126.56	376.42	7.05	-119.51
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008067071	0	39	-2.0	-120.04	338.65	6.43	-113.61
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCCCF)CC1	REAL300008067072	0	36	-2.0	-123.56	306.96	4.61	-118.95
CC1=NN(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067073	0	37	-2.0	-126.00	310.14	3.39	-122.61
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300008067074	0	34	-2.0	-123.12	299.03	4.07	-119.05
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N(C)N=C1	REAL300008067075	0	37	-2.0	-119.90	308.33	3.63	-116.27
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)CC1	REAL300008067076	0	36	-2.0	-124.21	326.44	4.75	-119.46
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067077	0	42	-2.0	-124.99	345.01	5.64	-119.35
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300008067078	0	43	-2.0	-125.19	361.74	8.19	-117.00
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300008067079	0	35	-2.0	-127.35	312.98	3.87	-123.48
C=CCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067080	0	37	-2.0	-123.50	314.14	5.09	-118.41
CN(C)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067081	0	42	-2.0	-124.72	345.95	5.64	-119.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCC2)CC1	REAL300008067082	0	37	-2.0	-122.53	306.00	5.00	-117.53
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)CC1	REAL300008067083	0	39	-2.0	-127.67	326.87	5.14	-122.53
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)CC1	REAL300008067084	0	39	-2.0	-128.07	341.60	5.33	-122.74
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)CC1	REAL300008067085	0	39	-2.0	-125.24	329.32	5.08	-120.16
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)CC1	REAL300008067086	0	40	-2.0	-124.19	356.48	7.29	-116.90
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C21	REAL300008067087	0	46	-2.0	-124.47	368.94	5.81	-118.66
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CC1	REAL300008067088	0	36	-2.0	-120.47	329.17	4.50	-115.97
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067089	0	42	-2.0	-130.31	348.45	5.74	-124.57
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067090	0	42	-2.0	-124.74	342.18	6.71	-118.03
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300008067091	0	42	-2.0	-131.62	345.39	8.06	-123.56
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008067092	0	42	-2.0	-121.02	344.81	6.88	-114.14
COC1=CC=C(CCS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067093	0	44	-2.0	-125.95	369.25	6.06	-119.89
COC1=CN=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067094	0	37	-2.0	-122.50	318.09	2.71	-119.79
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067095	0	43	-2.0	-122.48	366.53	6.88	-115.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)CC1	REAL300008067096	0	41	-2.0	-123.03	343.68	7.36	-115.67
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(OC)=C1	REAL300008067097	0	42	-2.0	-125.40	352.51	3.84	-121.56
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCCC2)CC1	REAL300008067098	0	46	-2.0	-123.63	360.52	6.93	-116.70
CC1=CC=C(CCS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067099	0	43	-2.0	-124.64	361.15	7.43	-117.21
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)OCO2	REAL300008067100	0	40	-2.0	-122.54	323.58	4.22	-118.32
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CC1	REAL300008067101	0	37	-2.0	-128.21	320.42	5.57	-122.64
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300008067102	0	38	-2.0	-120.93	339.98	5.11	-115.82
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCC2)CC1	REAL300008067103	0	43	-2.0	-123.46	344.57	6.39	-117.07
CN1C=NC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300008067104	0	40	-2.0	-130.95	341.79	6.58	-124.37
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008067105	0	42	-2.0	-133.19	343.51	6.88	-126.31
CC1=NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2O1	REAL300008067106	0	39	-2.0	-124.29	337.17	2.89	-121.40
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1CC	REAL300008067107	0	46	-2.0	-123.69	371.57	7.82	-115.87
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067108	0	42	-2.0	-117.93	345.42	7.30	-110.63
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067109	0	44	-2.0	-127.05	350.14	6.72	-120.33
CC1=C(C)SC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067110	0	37	-2.0	-122.88	328.08	5.67	-117.21
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067111	0	35	-2.0	-118.35	311.21	3.06	-115.29
CC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067112	0	33	-2.0	-121.34	302.05	3.06	-118.28
CCC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067113	0	36	-2.0	-121.17	324.45	3.84	-117.33
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(N)=NO1	REAL300008067114	0	35	-2.0	-119.47	299.95	2.64	-116.83
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067115	0	41	-2.0	-125.48	343.77	4.97	-120.51
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067116	0	37	-2.0	-124.78	323.12	5.70	-119.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CC1	REAL300008067117	0	40	-2.0	-128.56	329.50	6.69	-121.87
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)CC1	REAL300008067118	0	37	-2.0	-127.71	319.39	3.86	-123.85
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C)=C1F	REAL300008067119	0	40	-2.0	-120.77	341.46	6.58	-114.19
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1	REAL300008067120	0	41	-2.0	-128.24	350.45	5.01	-123.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)CC1	REAL300008067121	0	47	-2.0	-125.03	394.31	6.77	-118.26
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)CC1	REAL300008067122	0	38	-2.0	-134.30	324.42	5.06	-129.24
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300008067123	0	36	-2.0	-130.04	321.89	4.96	-125.08
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067124	0	36	-2.0	-123.14	311.05	4.09	-119.05
CC1=NC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300008067125	0	36	-2.0	-126.32	323.85	3.62	-122.70
COC(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CC1	REAL300008067126	0	41	-2.0	-124.00	335.64	4.94	-119.06
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)CC1	REAL300008067127	0	37	-2.0	-123.62	334.98	6.52	-117.10
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300008067128	0	37	-2.0	-120.56	329.92	6.35	-114.21
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC1	REAL300008067129	0	40	-2.0	-130.02	342.55	6.25	-123.77
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)CC1	REAL300008067130	0	42	-2.0	-127.38	337.69	6.40	-120.98
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)CC1	REAL300008067131	0	43	-2.0	-124.56	342.92	5.20	-119.36
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300008067132	0	37	-2.0	-124.39	338.21	6.51	-117.88
CCC1(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300008067133	0	37	-2.0	-123.30	286.93	5.24	-118.06
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067134	0	47	-2.0	-123.35	384.50	6.92	-116.43
COC(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCC1	REAL300008067135	0	47	-2.0	-122.36	368.78	5.54	-116.82
COC(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCCC1	REAL300008067136	0	50	-2.0	-122.53	385.38	6.09	-116.44
CC1(C)CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CO1	REAL300008067137	0	41	-2.0	-122.39	333.16	3.83	-118.56
CCOC(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CC1	REAL300008067138	0	44	-2.0	-123.42	358.39	5.53	-117.89
CCC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1CC1CC1	REAL300008067139	0	47	-2.0	-128.91	388.55	7.04	-121.87
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)CC1	REAL300008067140	0	37	-2.0	-121.56	333.27	4.73	-116.83
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300008067141	0	42	-2.0	-126.31	346.14	7.13	-119.18
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067142	0	41	-2.0	-121.27	339.99	5.20	-116.07
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067143	0	37	-2.0	-118.91	333.06	3.68	-115.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CC1	REAL300008067144	0	44	-2.0	-129.71	352.51	8.31	-121.40
CCC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)C=C1OC	REAL300008067145	0	47	-2.0	-122.78	369.36	6.34	-116.44
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300008067146	0	36	-2.0	-129.91	318.22	4.08	-125.83
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300008067147	0	43	-2.0	-127.46	342.22	8.21	-119.25
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067148	0	43	-2.0	-122.36	363.62	3.80	-118.56
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067149	0	38	-2.0	-127.05	324.31	5.39	-121.66
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(C)C	REAL300008067150	0	50	-2.0	-123.44	404.41	7.50	-115.94
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300008067151	0	46	-2.0	-122.14	372.69	7.50	-114.64
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067152	0	44	-2.0	-122.28	349.94	5.20	-117.08
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300008067153	0	46	-2.0	-120.79	365.78	5.57	-115.22
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)CC1	REAL300008067154	0	44	-2.0	-123.87	361.91	5.61	-118.26
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067155	0	37	-2.0	-118.96	320.04	3.85	-115.11
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067156	0	41	-2.0	-127.41	352.83	5.42	-121.99
C=CCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067157	0	44	-2.0	-122.77	371.66	8.03	-114.74
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067158	0	40	-2.0	-124.92	333.46	3.98	-120.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)CC1	REAL300008067159	0	38	-2.0	-122.25	343.08	6.96	-115.29
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1CC	REAL300008067160	0	50	-2.0	-123.14	409.01	7.76	-115.38
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067161	0	40	-2.0	-119.53	333.92	7.13	-112.40
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCCC2CC2)CC1	REAL300008067162	0	40	-2.0	-123.44	332.94	6.09	-117.35
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)CC1	REAL300008067163	0	38	-2.0	-123.67	340.60	6.87	-116.80
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067164	0	43	-2.0	-124.39	347.75	7.80	-116.59
COC1=NC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067165	0	37	-2.0	-126.67	314.74	2.51	-124.16
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)CC1	REAL300008067166	0	39	-2.0	-125.66	324.24	5.79	-119.87
CC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1C	REAL300008067167	0	37	-2.0	-123.53	311.13	4.15	-119.38
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=N2)CC1	REAL300008067168	0	33	-2.0	-126.13	290.27	3.37	-122.76
CC1=CSC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067169	0	37	-2.0	-120.80	311.97	5.78	-115.02
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)CC1	REAL300008067170	0	41	-2.0	-123.54	343.42	4.91	-118.63
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCC2)CC1	REAL300008067171	0	41	-2.0	-120.38	340.03	5.05	-115.33
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)CC1	REAL300008067172	0	44	-2.0	-119.65	356.05	5.70	-113.95
CC1(C)COC2=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=NN2C1	REAL300008067173	0	45	-2.0	-125.90	368.54	3.24	-122.66
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CC1	REAL300008067174	0	40	-2.0	-124.20	361.28	6.16	-118.04
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3CCCCN23)CC1	REAL300008067175	0	41	-2.0	-124.93	335.95	5.38	-119.55
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008067176	0	50	-2.0	-126.81	391.82	7.25	-119.56
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067177	0	44	-2.0	-124.31	359.12	6.59	-117.72
CC1CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2O1	REAL300008067178	0	42	-2.0	-128.42	347.92	5.90	-122.52
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067179	0	42	-2.0	-122.03	363.11	4.92	-117.11
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067180	0	39	-2.0	-134.45	333.21	4.75	-129.70
CCN1N=NC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067181	0	36	-2.0	-118.41	301.80	2.27	-116.14
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1	REAL300008067182	0	43	-2.0	-122.40	339.86	5.25	-117.15
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)CC1	REAL300008067183	0	35	-2.0	-119.68	309.33	4.05	-115.63
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300008067184	0	37	-2.0	-124.78	333.29	6.69	-118.09
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067185	0	41	-2.0	-120.47	343.43	4.90	-115.57
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1F	REAL300008067186	0	43	-2.0	-120.74	339.94	7.25	-113.49
COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC	REAL300008067187	0	42	-2.0	-129.34	346.93	5.11	-124.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=COC3=CC=CC=C32)CC1	REAL300008067188	0	37	-2.0	-125.51	320.95	5.43	-120.08
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300008067189	0	47	-2.0	-126.49	374.79	5.82	-120.67
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067190	0	46	-2.0	-125.58	370.58	5.77	-119.81
CCCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300008067191	0	46	-2.0	-126.50	374.61	5.79	-120.71
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300008067192	0	41	-2.0	-127.59	336.19	4.64	-122.95
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)CC1	REAL300008067193	0	38	-2.0	-124.36	332.76	4.81	-119.55
CN1N=NC2=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C21	REAL300008067194	0	39	-2.0	-139.13	336.36	3.75	-135.38
CC1(C)CCCN(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300008067195	0	45	-2.0	-122.02	349.11	5.70	-116.32
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCC2)=N1	REAL300008067196	0	44	-2.0	-126.10	357.64	5.35	-120.75
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067197	0	52	-2.0	-128.76	402.95	9.16	-119.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)CC1	REAL300008067198	0	44	-2.0	-125.01	368.44	5.90	-119.11
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)CC1	REAL300008067199	0	38	-2.0	-125.78	330.29	6.23	-119.55
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008067200	0	43	-2.0	-137.87	359.88	6.45	-131.42
CCCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067201	0	43	-2.0	-122.94	358.85	7.46	-115.48
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067202	0	41	-2.0	-123.26	337.15	4.69	-118.57
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)CC1	REAL300008067203	0	40	-2.0	-122.15	322.66	4.75	-117.40
CC1=CC=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067204	0	40	-2.0	-123.12	317.19	6.63	-116.49
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067205	0	43	-2.0	-120.54	336.56	4.75	-115.79
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067206	0	43	-2.0	-125.21	358.96	4.98	-120.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2C2CCC2)CC1	REAL300008067207	0	41	-2.0	-124.36	334.77	4.04	-120.32
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300008067208	0	39	-2.0	-120.48	345.15	5.03	-115.45
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300008067209	0	37	-2.0	-118.15	338.66	6.30	-111.85
CC1=NN(C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067210	0	37	-2.0	-119.39	313.82	3.29	-116.10
CC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300008067211	0	40	-2.0	-123.16	315.12	6.13	-117.03
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067212	0	45	-2.0	-130.56	379.05	7.28	-123.28
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)CC1	REAL300008067213	0	45	-2.0	-124.53	363.17	8.35	-116.18
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)CC1	REAL300008067214	0	40	-2.0	-122.79	336.85	5.69	-117.10
CN(C1CCC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067215	0	39	-2.0	-121.11	314.15	4.33	-116.78
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=C2COCC3)CC1	REAL300008067216	0	41	-2.0	-127.30	347.55	3.63	-123.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)N2CCC(F)(F)CC2)CC1	REAL300008067217	0	38	-2.0	-119.66	298.77	6.92	-112.74
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)CC1	REAL300008067218	0	34	-2.0	-120.41	316.15	5.47	-114.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)CC1	REAL300008067219	0	41	-2.0	-123.41	342.74	7.34	-116.07
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CS1	REAL300008067220	0	35	-2.0	-124.22	314.26	3.69	-120.53
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)CC1	REAL300008067221	0	44	-2.0	-120.51	357.89	5.82	-114.69
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067222	0	43	-2.0	-119.46	351.44	4.97	-114.49
CN(C(C)(C)C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067223	0	41	-2.0	-122.71	312.21	4.24	-118.47
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300008067224	0	37	-2.0	-122.82	320.51	4.85	-117.97
CN(C1CCCCCC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067225	0	48	-2.0	-122.90	360.48	6.06	-116.84
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067226	0	40	-2.0	-121.48	347.66	6.78	-114.70
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)CC1	REAL300008067227	0	38	-2.0	-124.53	333.72	4.83	-119.70
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CC1	REAL300008067228	0	49	-2.0	-131.51	385.65	7.73	-123.78
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067229	0	35	-2.0	-121.41	317.32	3.68	-117.73
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300008067230	0	45	-2.0	-132.37	360.93	7.30	-125.07
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CC1	REAL300008067231	0	42	-2.0	-128.11	345.64	5.17	-122.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CCF)N=C2)CC1	REAL300008067232	0	37	-2.0	-123.72	327.12	3.96	-119.76
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067233	0	44	-2.0	-123.79	371.38	5.94	-117.85
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067234	0	44	-2.0	-122.88	369.89	6.33	-116.55
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)CC1	REAL300008067235	0	47	-2.0	-124.67	380.85	6.21	-118.46
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CF)CC1	REAL300008067236	0	37	-2.0	-125.56	309.64	6.14	-119.42
CC1=CN=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067237	0	36	-2.0	-122.34	309.97	4.08	-118.26
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008067238	0	43	-2.0	-128.26	346.91	8.11	-120.15
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300008067239	0	44	-2.0	-123.38	370.65	6.40	-116.98
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CC2C3)CC1	REAL300008067240	0	37	-2.0	-124.04	306.15	4.14	-119.90
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CC1	REAL300008067241	0	38	-2.0	-123.08	332.76	6.51	-116.57
CCOCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067242	0	40	-2.0	-123.96	335.36	3.78	-120.18
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2NC(=O)NC2=O)CC1	REAL300008067243	0	39	-2.0	-129.23	338.33	-0.84	-130.07
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)CC1	REAL300008067244	0	37	-2.0	-126.99	319.02	5.62	-121.37
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2CCC(F)(F)CC2)CC1	REAL300008067245	0	40	-2.0	-124.25	329.06	5.77	-118.48
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)CC1	REAL300008067246	0	36	-2.0	-125.78	325.40	4.65	-121.13
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCOC2CCOC2)CC1	REAL300008067247	0	42	-2.0	-126.38	349.31	2.46	-123.92
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2COCCO2)CC1	REAL300008067248	0	39	-2.0	-125.91	323.28	2.45	-123.46
CC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300008067249	0	43	-2.0	-126.05	368.53	4.43	-121.62
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CC1	REAL300008067250	0	51	-2.0	-124.45	371.47	8.14	-116.31
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCN2C=NN=N2)CC1	REAL300008067251	0	35	-2.0	-132.26	309.26	3.15	-129.11
CC1(C)COC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300008067252	0	44	-2.0	-125.48	353.95	4.48	-121.00
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CS(=O)(=O)C2)CC1	REAL300008067253	0	37	-2.0	-129.85	325.48	0.95	-128.90
CC(C)(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)(F)F	REAL300008067254	0	42	-2.0	-125.67	333.48	5.73	-119.94
CS(=O)(=O)CCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067255	0	42	-2.0	-134.86	364.01	2.03	-132.83
CC1(C)CCC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC1	REAL300008067256	0	47	-2.0	-124.82	368.23	5.36	-119.46
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	REAL300008067257	0	44	-2.0	-123.57	365.01	7.56	-116.01
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300008067258	0	38	-2.0	-130.56	342.46	4.32	-126.24
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CC1	REAL300008067259	0	43	-2.0	-127.16	346.72	2.75	-124.41
COCCC1(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300008067260	0	41	-2.0	-121.81	333.61	4.60	-117.21
CCN1N=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300008067261	0	36	-2.0	-123.33	315.13	2.11	-121.22
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	REAL300008067262	0	47	-2.0	-123.85	361.62	7.27	-116.58
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)CC1	REAL300008067263	0	38	-2.0	-122.80	338.24	6.57	-116.23
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067264	0	45	-2.0	-123.94	371.74	6.30	-117.64
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067265	0	39	-2.0	-125.53	318.44	1.94	-123.59
CC1=COC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067266	0	34	-2.0	-122.70	299.02	3.92	-118.78
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300008067267	0	34	-2.0	-123.12	299.03	4.07	-119.05
CCC1=NNC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067268	0	37	-2.0	-124.43	308.02	2.64	-121.79
COC1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC	REAL300008067269	0	39	-2.0	-121.34	342.00	3.68	-117.66
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	REAL300008067270	0	46	-2.0	-124.26	350.79	5.94	-118.32
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067271	0	45	-2.0	-122.88	375.19	7.09	-115.79
COC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(F)=C1	REAL300008067272	0	38	-2.0	-123.63	332.42	4.83	-118.80
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CC1	REAL300008067273	0	38	-2.0	-124.39	339.92	4.89	-119.50
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067274	0	40	-2.0	-124.15	335.65	5.09	-119.06
CN1C=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300008067275	0	41	-2.0	-127.96	347.23	7.00	-120.96
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067276	0	40	-2.0	-131.34	333.99	7.14	-124.20
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067277	0	45	-2.0	-125.59	378.10	6.88	-118.71
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300008067278	0	44	-2.0	-125.47	366.08	5.85	-119.62
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300008067279	0	38	-2.0	-126.91	322.30	4.21	-122.70
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CC1	REAL300008067280	0	40	-2.0	-122.64	357.09	8.04	-114.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)CC1	REAL300008067281	0	33	-2.0	-122.97	321.77	3.25	-119.72
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067282	0	47	-2.0	-120.86	379.69	6.39	-114.47
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)OC=C2)CC1	REAL300008067283	0	31	-2.0	-122.07	285.98	3.48	-118.59
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COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC(=O)[O-])C1CCC1	REAL300008076013	0	41	-1.0	-40.83	352.44	3.28	-37.55
O=C([O-])CC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C1CCC1	REAL300008076014	0	40	-1.0	-54.59	324.01	5.57	-49.02
CCOC1=CC=CN=C1S(=O)(=O)NC(CC(=O)[O-])C1CCC1	REAL300008076015	0	41	-1.0	-62.72	329.79	4.32	-58.40
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CCC2)C2=NC=CC=C12	REAL300008076016	0	43	-1.0	-50.08	345.04	5.79	-44.29
O=C([O-])CC(NS(=O)(=O)C1=CNC2=CC=CC=C21)C1CCC1	REAL300008076017	0	39	-1.0	-56.82	325.43	4.73	-52.09
O=C([O-])CC(NS(=O)(=O)N1CCC(F)(F)C1)C1CCC1	REAL300008076018	0	37	-1.0	-53.11	300.28	3.62	-49.49
O=C([O-])CC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C1CCC1	REAL300008076019	0	37	-1.0	-57.49	325.13	4.05	-53.44
O=C([O-])CC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12)C1CCC1	REAL300008076020	0	42	-1.0	-56.84	354.14	5.45	-51.39
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CC(=O)[O-])C2CCC2)=C1	REAL300008076021	0	48	-1.0	-60.20	375.97	7.30	-52.90
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076022	0	38	-1.0	-46.81	343.99	6.64	-40.17
O=C([O-])CC(NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076023	0	38	-1.0	-42.02	353.81	6.90	-35.12
CN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076024	0	36	-1.0	-39.19	325.08	4.30	-34.89
CCCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076025	0	45	-1.0	-51.21	373.22	6.71	-44.50
CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076026	0	40	-1.0	-39.59	352.73	6.08	-33.51
CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076027	0	34	-1.0	-39.63	309.73	4.50	-35.13
CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076028	0	31	-1.0	-46.58	285.94	3.44	-43.14
CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076029	0	37	-1.0	-39.66	331.23	5.30	-34.36
O=C([O-])CC(NS(=O)(=O)C1=CC=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076030	0	35	-1.0	-40.50	339.80	5.90	-34.60
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300008076031	0	38	-1.0	-41.32	362.64	6.70	-34.62
O=C([O-])CC(NS(=O)(=O)N1CCOCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076032	0	41	-1.0	-51.08	348.83	4.13	-46.95
CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300008076033	0	38	-1.0	-45.52	352.83	4.53	-40.99
CCN(CC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076034	0	42	-1.0	-51.66	363.22	6.47	-45.19
CC1=NNC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076035	0	38	-1.0	-51.24	346.09	4.66	-46.58
O=C([O-])CC(NS(=O)(=O)CCC1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076036	0	41	-1.0	-39.92	362.81	6.88	-33.04
O=C([O-])CC(NS(=O)(=O)CC1=NOC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076037	0	37	-1.0	-44.71	344.59	4.83	-39.88
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=NN1C	REAL300008076038	0	41	-1.0	-54.55	368.93	5.90	-48.65
O=C([O-])CC(NS(=O)(=O)N1CC2CCC1C2)C1=CC=C(C(F)(F)F)C=C1	REAL300008076039	0	44	-1.0	-53.11	370.67	7.05	-46.06
O=C([O-])CC(NS(=O)(=O)CC1CCCOC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076040	0	45	-1.0	-47.25	377.27	5.40	-41.85
COCCC(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076041	0	44	-1.0	-45.60	377.54	5.05	-40.55
CCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076042	0	43	-1.0	-39.65	365.84	6.65	-33.00
CCN(CC1CC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076043	0	46	-1.0	-52.69	390.26	7.92	-44.77
O=C([O-])CC(NS(=O)(=O)CCOCC1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076044	0	45	-1.0	-42.31	397.50	6.15	-36.16
COCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076045	0	44	-1.0	-39.21	380.54	5.09	-34.12
CCOCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076046	0	47	-1.0	-39.25	402.40	6.07	-33.18
CC(C)(C)CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076047	0	46	-1.0	-39.83	386.46	7.02	-32.81
CC1CCN(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300008076048	0	43	-1.0	-52.05	372.16	6.57	-45.48
CC(C)CN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076049	0	45	-1.0	-51.06	391.15	6.80	-44.26
CCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076050	0	39	-1.0	-51.48	332.91	5.29	-46.19
CN(C1CCCC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076051	0	46	-1.0	-39.08	380.02	6.65	-32.43
CCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076052	0	42	-1.0	-51.50	354.41	6.05	-45.45
CC1=NOC(CS(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008076053	0	40	-1.0	-54.48	370.69	6.02	-48.46
O=C([O-])CC(NS(=O)(=O)CCC1CCCO1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076054	0	45	-1.0	-48.83	385.33	5.46	-43.37
COC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076055	0	41	-1.0	-41.93	362.50	4.50	-37.43
CN1N=NC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076056	0	37	-1.0	-44.39	338.37	3.11	-41.28
O=C([O-])CC(NS(=O)(=O)CCC1CCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076057	0	44	-1.0	-39.86	380.03	7.41	-32.45
CC(C)(C)CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076058	0	49	-1.0	-39.56	407.96	7.77	-31.79
COCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008076059	0	42	-1.0	-42.94	375.30	6.07	-36.87
O=C([O-])CC(NS(=O)(=O)CCC1CCOC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076060	0	45	-1.0	-46.81	382.86	5.15	-41.66
CN1C=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300008076061	0	38	-1.0	-48.39	354.08	4.45	-43.94
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300008076062	0	41	-1.0	-51.65	373.29	7.79	-43.86
CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076063	0	34	-1.0	-39.63	309.73	4.50	-35.13
CC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008076064	0	41	-1.0	-42.39	368.82	7.50	-34.89
O=C([O-])CC(NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076065	0	42	-1.0	-43.65	381.71	8.13	-35.52
CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076066	0	40	-1.0	-39.59	352.73	6.08	-33.51
O=C([O-])CC(NS(=O)(=O)CC1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076067	0	41	-1.0	-54.33	373.69	7.82	-46.51
CC1=NNC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076068	0	41	-1.0	-49.35	363.36	4.79	-44.56
CC1=NOC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076069	0	40	-1.0	-42.23	355.31	5.56	-36.67
O=C([O-])CC(NS(=O)(=O)N1CCCCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076070	0	46	-1.0	-51.69	383.41	7.16	-44.53
O=C([O-])CC(NS(=O)(=O)N1CCCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076071	0	43	-1.0	-51.43	357.21	6.52	-44.91
O=C([O-])CC(NS(=O)(=O)N1CCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076072	0	40	-1.0	-51.65	351.97	5.48	-46.17
CC1CCN(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008076073	0	46	-1.0	-40.06	385.91	6.88	-33.18
CC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076074	0	41	-1.0	-53.23	358.39	8.35	-44.88
CC1=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CN1C	REAL300008076075	0	41	-1.0	-51.28	372.81	5.83	-45.45
CN1C=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008076076	0	38	-1.0	-56.51	349.12	5.79	-50.72
O=C([O-])CC(NS(=O)(=O)C1=CC=CN=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076077	0	37	-1.0	-50.35	346.96	5.28	-45.07
CC1CCCCN1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076078	0	46	-1.0	-51.60	379.25	7.66	-43.94
CC(C)N(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076079	0	42	-1.0	-40.41	362.32	5.53	-34.88
CCCN(CCC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076080	0	48	-1.0	-51.72	406.24	7.98	-43.74
O=C([O-])CC(NS(=O)(=O)C1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076081	0	35	-1.0	-40.91	319.99	5.39	-35.52
O=C([O-])CC(NS(=O)(=O)CC1CCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076082	0	44	-1.0	-53.03	376.92	7.54	-45.49
O=C([O-])CC(NS(=O)(=O)C1=CSC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076083	0	35	-1.0	-39.67	339.43	5.79	-33.88
O=C([O-])CC(NS(=O)(=O)CC1CCCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076084	0	47	-1.0	-39.77	389.92	7.92	-31.85
CN(C1CC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076085	0	40	-1.0	-50.69	351.84	6.28	-44.41
COCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076086	0	38	-1.0	-41.79	343.40	3.58	-38.21
CCCCCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076087	0	49	-1.0	-39.58	417.23	8.42	-31.16
O=C([O-])CC(NS(=O)(=O)CC1CCCO1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076088	0	42	-1.0	-43.05	365.77	4.93	-38.12
O=C([O-])CC(NS(=O)(=O)CC1CCCCO1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076089	0	45	-1.0	-41.15	384.68	5.76	-35.39
O=C([O-])CC(NS(=O)(=O)CC1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076090	0	38	-1.0	-40.16	341.74	6.10	-34.06
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300008076091	0	41	-1.0	-46.42	374.66	5.39	-41.03
CC(C1CC1)N(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076092	0	46	-1.0	-51.49	383.49	7.42	-44.07
CN1N=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076093	0	38	-1.0	-41.05	338.90	4.28	-36.77
O=C([O-])CC(NS(=O)(=O)CC1CCOC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076094	0	42	-1.0	-48.16	359.66	4.57	-43.59
CCCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076095	0	43	-1.0	-39.61	374.23	6.86	-32.75
COCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076096	0	43	-1.0	-50.31	363.41	4.66	-45.65
CN(CC1CC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076097	0	43	-1.0	-52.15	369.35	7.01	-45.14
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C(C)O1	REAL300008076098	0	41	-1.0	-53.53	368.50	7.28	-46.25
CC1=CSC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008076099	0	38	-1.0	-40.84	362.40	6.58	-34.26
O=C([O-])CC(NS(=O)(=O)C1=CC=CO1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076100	0	35	-1.0	-51.97	334.67	5.06	-46.91
O=C([O-])CC(NS(=O)(=O)C1=COC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076101	0	35	-1.0	-50.52	334.46	4.97	-45.55
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)SC=C1	REAL300008076102	0	38	-1.0	-41.07	349.17	6.23	-34.84
O=C([O-])CC(NS(=O)(=O)C1CCOC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076103	0	39	-1.0	-45.97	341.87	3.77	-42.20
C=CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076104	0	38	-1.0	-39.68	344.04	5.86	-33.82
O=C([O-])CC(NS(=O)(=O)C1=CNC=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076105	0	35	-1.0	-49.26	325.95	4.03	-45.23
O=C([O-])CC(NS(=O)(=O)CCCF)C1=CC=C(C(F)(F)F)C=C1	REAL300008076106	0	37	-1.0	-38.56	337.82	5.44	-33.12
O=C([O-])CC(NS(=O)(=O)CCCCF)C1=CC=C(C(F)(F)F)C=C1	REAL300008076107	0	40	-1.0	-40.68	359.32	6.22	-34.46
CC1=NN(C)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076108	0	41	-1.0	-52.46	372.03	6.01	-46.45
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300008076109	0	38	-1.0	-52.22	356.55	5.92	-46.30
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N(C)N=C1	REAL300008076110	0	41	-1.0	-42.89	363.05	5.26	-37.63
C=C(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076111	0	38	-1.0	-40.43	344.06	5.73	-34.70
C=CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076112	0	41	-1.0	-39.55	365.54	6.64	-32.91
O=C([O-])CC(NS(=O)(=O)CC1CCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076113	0	41	-1.0	-45.95	355.64	6.44	-39.51
O=C([O-])CC(NS(=O)(=O)CCC1CCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076114	0	47	-1.0	-52.62	399.49	8.19	-44.43
CC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008076115	0	38	-1.0	-53.58	332.14	6.71	-46.87
CC1=NC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300008076116	0	37	-1.0	-42.46	356.72	4.71	-37.75
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(N)=NO1	REAL300008076117	0	39	-1.0	-43.81	352.40	4.08	-39.73
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(N)=NO1	REAL300008076117	1	38	-2.0	-110.30	356.67	4.14	-106.16
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300008076118	0	40	-1.0	-50.77	368.58	5.90	-44.87
COC(CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300008076119	0	45	-1.0	-53.59	393.33	6.59	-47.00
CCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008076120	0	41	-1.0	-43.21	352.49	7.06	-36.15
CC1(C)CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CO1	REAL300008076121	0	45	-1.0	-40.95	381.81	5.34	-35.61
O=C([O-])CC(NS(=O)(=O)CCCC1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076122	0	44	-1.0	-39.60	384.24	7.73	-31.87
CC1=NC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N1C	REAL300008076123	0	41	-1.0	-48.05	358.12	5.51	-42.54
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076124	0	37	-1.0	-48.06	339.73	4.77	-43.29
CCN1N=NC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076125	0	40	-1.0	-42.28	358.53	4.11	-38.17
O=C([O-])CC(NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076126	0	44	-1.0	-51.98	373.82	7.09	-44.89
CC1=NN(C)C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008076127	0	41	-1.0	-43.40	371.98	5.18	-38.22
CN(C1CCC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076128	0	43	-1.0	-50.66	368.67	6.14	-44.52
O=C([O-])CC(NC(=O)N1CCC(F)(F)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076129	0	42	-1.0	-51.80	354.69	9.83	-41.97
CN(C(C)(C)C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076130	0	45	-1.0	-43.73	360.33	6.65	-37.08
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300008076131	0	41	-1.0	-49.43	371.19	6.30	-43.13
CC1=CN=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008076132	0	40	-1.0	-48.25	360.49	5.48	-42.77
O=C([O-])CC(NS(=O)(=O)N1CC2CC1C2)C1=CC=C(C(F)(F)F)C=C1	REAL300008076133	0	41	-1.0	-53.17	358.15	6.65	-46.52
CCOCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076134	0	44	-1.0	-39.72	386.76	5.33	-34.39
O=C([O-])CC(NS(=O)(=O)CC1COCCO1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076135	0	43	-1.0	-42.04	374.67	4.27	-37.77
O=C([O-])CC(NS(=O)(=O)CCN1C=NN=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076136	0	39	-1.0	-56.47	364.73	4.98	-51.49
COCCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008076137	0	45	-1.0	-40.73	373.21	5.96	-34.77
CCN1N=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300008076138	0	40	-1.0	-49.70	365.98	3.55	-46.15
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300008076138	1	39	-2.0	-120.31	371.05	3.61	-116.70
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076139	0	43	-1.0	-47.75	372.07	3.56	-44.19
CC1=COC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008076140	0	38	-1.0	-51.68	356.54	5.77	-45.91
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300008076141	0	38	-1.0	-52.22	356.55	5.92	-46.30
CCC1=NNC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076142	0	41	-1.0	-51.21	358.75	5.23	-45.98
O=C([O-])CC(NS(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076143	0	35	-1.0	-41.48	339.15	5.18	-36.30
O=C([O-])CC([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076143	1	34	-2.0	-116.13	349.12	5.23	-110.90
CC1=CN=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076144	0	40	-1.0	-50.07	355.24	6.57	-43.50
C=CCN(CC=C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076145	0	44	-1.0	-51.87	389.92	7.61	-44.26
CC1=CC=CN=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008076146	0	40	-1.0	-52.68	356.19	5.60	-47.08
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=N1	REAL300008076147	0	40	-1.0	-42.11	364.87	5.69	-36.42
O=C([O-])CC(NS(=O)(=O)C1=CN=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076148	0	34	-1.0	-41.36	334.69	4.00	-37.36
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1	REAL300008076149	0	43	-1.0	-48.02	341.26	5.91	-42.11
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076150	0	43	-1.0	-53.18	347.51	6.14	-47.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076151	0	46	-1.0	-58.89	355.27	6.63	-52.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076152	0	47	-1.0	-58.07	371.16	5.99	-52.08
CC1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1C(=O)[O-]	REAL300008076153	0	46	-1.0	-54.04	363.54	6.67	-47.37
O=C([O-])C1=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=CS1	REAL300008076154	0	40	-1.0	-48.58	326.47	5.89	-42.69
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076155	0	43	-1.0	-53.18	347.51	6.14	-47.04
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1	REAL300008076156	0	43	-1.0	-48.02	341.26	5.91	-42.11
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076157	0	43	-1.0	-68.42	337.63	7.49	-60.93
O=C([O-])C1=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=CN1	REAL300008076158	0	41	-1.0	-50.30	334.25	4.06	-46.24
O=C([O-])CN1C=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=N1	REAL300008076159	0	43	-1.0	-51.07	347.90	4.09	-46.98
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)S1	REAL300008076160	0	40	-1.0	-48.36	337.94	5.48	-42.88
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076161	0	40	-1.0	-53.61	323.65	3.15	-50.46
O=C([O-])C1CCCN(S(=O)(=O)N2CCCC2C2CCCCO2)C1	REAL300008076162	0	48	-1.0	-47.82	364.32	5.48	-42.34
O=C([O-])C1CCN(S(=O)(=O)N2CCCC2C2CCCCO2)CC1	REAL300008076163	0	48	-1.0	-51.48	362.40	5.51	-45.97
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076164	0	43	-1.0	-68.42	337.63	7.49	-60.93
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076165	0	43	-1.0	-62.15	355.19	7.62	-54.53
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)O1	REAL300008076166	0	40	-1.0	-52.83	333.45	4.33	-48.50
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC2C2CCCCO2)O1	REAL300008076167	0	43	-1.0	-50.34	352.11	5.04	-45.30
O=C([O-])CCCS(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076168	0	42	-1.0	-52.21	327.94	4.59	-47.62
O=C([O-])C1CCCN1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076169	0	45	-1.0	-63.14	348.30	5.06	-58.08
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCC2C2CCCCO2)C=C1	REAL300008076170	0	46	-1.0	-56.96	369.31	7.08	-49.88
O=C([O-])C1CCN(S(=O)(=O)N2CCCC2C2CCCCO2)CC1	REAL300008076171	0	48	-1.0	-51.48	362.40	5.51	-45.97
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076172	0	46	-1.0	-60.33	369.22	7.10	-53.23
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)O1	REAL300008076173	0	40	-1.0	-52.83	333.45	4.33	-48.50
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1	REAL300008076174	0	47	-1.0	-48.15	376.85	6.62	-41.53
O=C([O-])CCCS(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076175	0	42	-1.0	-52.21	327.94	4.59	-47.62
O=C([O-])C1=CSC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076176	0	40	-1.0	-49.14	338.89	5.38	-43.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1C	REAL300008076177	0	49	-1.0	-58.69	371.70	7.18	-51.51
CC1=CC=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1C(=O)[O-]	REAL300008076178	0	46	-1.0	-75.26	363.95	7.07	-68.19
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076179	0	50	-1.0	-53.12	400.79	6.04	-47.08
O=C([O-])C1=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=CS1	REAL300008076180	0	40	-1.0	-52.31	339.16	5.18	-47.13
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076181	0	46	-1.0	-49.38	349.74	6.53	-42.85
O=C([O-])C1=C(S(=O)(=O)N2CCCC2C2CCCCO2)C2=CC=CC=C2S1	REAL300008076182	0	46	-1.0	-59.14	370.65	8.23	-50.91
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1	REAL300008076183	0	46	-1.0	-48.56	363.53	6.69	-41.87
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1[N+](=O)[O-]	REAL300008076184	0	48	-1.0	-42.94	387.95	7.43	-35.51
O=C([O-])C1=COC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076185	0	40	-1.0	-51.08	333.58	4.08	-47.00
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076186	0	46	-1.0	-53.01	369.68	6.91	-46.10
CC1=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C(C(=O)[O-])O1	REAL300008076187	0	43	-1.0	-52.40	344.37	5.37	-47.03
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076188	0	42	-1.0	-46.04	340.89	4.53	-41.51
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076189	0	39	-1.0	-51.88	320.76	4.28	-47.60
O=C([O-])C1=C(S(=O)(=O)N2CCCC2C2CCCCO2)SC=N1	REAL300008076190	0	39	-1.0	-72.76	325.40	4.54	-68.22
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076191	0	42	-1.0	-73.58	335.31	5.30	-68.28
O=C([O-])CCCCCS(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076192	0	48	-1.0	-53.10	370.94	6.16	-46.94
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=N1	REAL300008076193	0	42	-1.0	-49.35	337.18	4.12	-45.23
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076194	0	43	-1.0	-49.16	362.45	6.84	-42.32
COC1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1C(=O)[O-]	REAL300008076195	0	47	-1.0	-60.13	374.80	6.21	-53.92
CC1=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=CC=C1C(=O)[O-]	REAL300008076196	0	46	-1.0	-47.62	357.01	6.46	-41.16
CN(CCC(=O)[O-])S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076197	0	44	-1.0	-48.55	345.17	4.54	-44.01
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCCC3C3CCCCO3)C=CC=C21	REAL300008076198	0	48	-1.0	-51.47	374.09	6.23	-45.24
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076199	0	50	-1.0	-53.12	400.79	6.04	-47.08
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076200	0	43	-1.0	-49.16	362.45	6.84	-42.32
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076201	0	43	-1.0	-50.51	339.37	6.62	-43.89
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076202	0	46	-1.0	-52.68	366.63	7.29	-45.39
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCCC3C3CCCCO3)C=C21	REAL300008076203	0	49	-1.0	-49.59	388.11	7.27	-42.32
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCC2C2CCCCO2)C=C1	REAL300008076204	0	46	-1.0	-56.96	369.31	7.08	-49.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076205	0	47	-1.0	-58.07	371.16	5.99	-52.08
CC1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1C(=O)[O-]	REAL300008076206	0	46	-1.0	-54.04	363.54	6.67	-47.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076207	0	46	-1.0	-58.89	355.27	6.63	-52.26
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076208	0	47	-1.0	-50.68	368.86	6.20	-44.48
O=C([O-])CC1(CS(=O)(=O)N2CCCC2C2CCCCO2)CC1	REAL300008076209	0	46	-1.0	-49.65	358.60	5.76	-43.89
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076210	0	46	-1.0	-53.01	369.68	6.91	-46.10
COC1=C(S(=O)(=O)N2CCCC2C2CCCCO2)SC(C(=O)[O-])=C1	REAL300008076211	0	44	-1.0	-47.67	368.11	5.36	-42.31
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCCC3C3CCCCO3)=CC=C2O1	REAL300008076212	0	48	-1.0	-49.45	382.56	7.00	-42.45
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCCC3C3CCCCO3)C=C2)CC1	REAL300008076213	0	50	-1.0	-52.92	388.33	7.56	-45.36
CCC1=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C(C(=O)[O-])O1	REAL300008076214	0	46	-1.0	-54.54	363.48	5.98	-48.56
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076215	0	45	-1.0	-60.34	363.88	8.07	-52.27
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCCC3C3CCCCO3)=CC=C2S1	REAL300008076216	0	46	-1.0	-49.67	383.54	7.83	-41.84
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076217	0	45	-1.0	-54.46	366.62	7.76	-46.70
CC1=NC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1C(=O)[O-]	REAL300008076218	0	45	-1.0	-48.37	357.11	4.97	-43.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076219	0	47	-1.0	-49.32	371.20	5.99	-43.33
COC1=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=CC=C1C(=O)[O-]	REAL300008076220	0	47	-1.0	-53.83	374.77	6.22	-47.61
COC1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C(CC(=O)[O-])=C1	REAL300008076221	0	50	-1.0	-46.15	373.49	5.95	-40.20
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1F	REAL300008076222	0	46	-1.0	-51.40	375.13	6.97	-44.43
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1	REAL300008076223	0	52	-1.0	-51.05	400.67	8.01	-43.04
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076224	0	43	-1.0	-49.83	335.08	4.63	-45.20
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCCC3C3CCCCO3)C=CC=C12	REAL300008076225	0	49	-1.0	-50.51	377.86	8.01	-42.50
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076226	0	43	-1.0	-51.12	350.23	5.10	-46.02
O=C([O-])C1=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=CC=C1Cl	REAL300008076227	0	43	-1.0	-52.07	360.02	6.53	-45.54
O=C([O-])C1=C(S(=O)(=O)N2CCCC2C2CCCCO2)OC=C1	REAL300008076228	0	40	-1.0	-63.73	326.38	5.09	-58.64
O=C([O-])C1(S(=O)(=O)N2CCCC2C2CCCCO2)CCC1	REAL300008076229	0	43	-1.0	-59.00	323.75	5.04	-53.96
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076230	0	47	-1.0	-66.99	367.81	6.41	-60.58
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076231	0	40	-1.0	-53.61	323.65	3.15	-50.46
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076232	0	43	-1.0	-49.83	335.08	4.63	-45.20
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1C(=O)[O-]	REAL300008076233	0	45	-2.0	-136.48	374.37	7.09	-129.39
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076234	0	50	-1.0	-47.84	394.35	6.22	-41.62
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076235	0	42	-1.0	-49.97	341.98	4.22	-45.75
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076236	0	46	-1.0	-56.68	359.03	7.50	-49.18
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCCC2C2CCCCO2)=C1	REAL300008076237	0	40	-1.0	-46.29	347.18	4.80	-41.49
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C2=CC=CC=C12	REAL300008076238	0	49	-1.0	-51.33	372.57	7.69	-43.64
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076239	0	50	-1.0	-57.71	390.37	6.81	-50.90
COC1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C(C(=O)[O-])=C1	REAL300008076240	0	47	-1.0	-68.34	365.12	6.69	-61.65
O=C([O-])C1=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=CC=N1	REAL300008076241	0	42	-1.0	-55.91	343.58	4.38	-51.53
O=C([O-])C1=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=NN1	REAL300008076242	0	40	-1.0	-46.28	328.38	2.02	-44.26
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076243	0	43	-1.0	-53.75	346.19	4.15	-49.60
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCCC3C3CCCCO3)C=C2C=C1	REAL300008076244	0	49	-1.0	-50.96	386.99	8.17	-42.79
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCCC2C2CCCCO2)C1	REAL300008076245	0	43	-1.0	-55.62	337.32	5.31	-50.31
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCCC2C2CCCCO2)C1	REAL300008076246	0	46	-1.0	-56.67	352.34	5.80	-50.87
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC2C2CCCCO2)S1	REAL300008076247	0	43	-1.0	-48.64	351.20	5.66	-42.98
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076248	0	49	-1.0	-74.96	384.11	9.38	-65.58
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076249	0	46	-1.0	-65.55	361.25	7.62	-57.93
O=C([O-])C1=NC(S(=O)(=O)N2CCCC2C2CCCCO2)=C2C=CC=CN21	REAL300008076250	0	46	-1.0	-68.83	374.93	4.75	-64.08
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCCC3C3CCCCO3)=C2C=C1	REAL300008076251	0	46	-1.0	-47.14	375.56	7.34	-39.80
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076252	0	43	-1.0	-53.48	344.44	5.22	-48.26
O=C([O-])C1CCCCN1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076253	0	48	-1.0	-55.62	347.00	5.39	-50.23
O=C([O-])C1=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=NN1	REAL300008076254	0	40	-1.0	-46.28	328.38	2.02	-44.26
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076255	0	45	-1.0	-58.73	332.07	5.14	-53.59
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076256	0	40	-1.0	-53.61	323.65	3.15	-50.46
O=C([O-])C1=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C(Cl)S1	REAL300008076257	0	40	-1.0	-41.93	335.27	5.75	-36.18
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076258	0	43	-1.0	-61.20	322.38	5.61	-55.59
CC1=CC(S(=O)(=O)N2CCCC2C2CCCCO2)=CN=C1C(=O)[O-]	REAL300008076259	0	45	-1.0	-50.48	358.37	5.07	-45.41
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076260	0	46	-1.0	-65.55	361.25	7.62	-57.93
CCOC1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1C(=O)[O-]	REAL300008076261	0	50	-1.0	-59.21	396.65	7.11	-52.10
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCCC3C3CCCCO3)C=C2C1	REAL300008076262	0	50	-1.0	-47.53	386.31	7.80	-39.73
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCCC1C1CCCCO1	REAL300008076263	0	42	-1.0	-48.78	327.00	4.93	-43.85
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCCC3C3CCCCO3)C=C2C=C1	REAL300008076264	0	48	-1.0	-54.64	389.25	6.54	-48.10
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(C)(C)C	REAL300008076265	0	46	-1.0	-48.76	372.73	6.49	-42.27
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076266	0	46	-1.0	-55.43	371.44	6.37	-49.06
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1=NC=CC=C1C)C(C)(C)C	REAL300008076267	0	49	-1.0	-55.59	382.52	6.92	-48.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1=NC=CC=C1C)C(C)(C)C	REAL300008076268	0	50	-1.0	-56.03	400.52	6.29	-49.74
CC1=CC=C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)C=C1C(=O)[O-]	REAL300008076269	0	49	-1.0	-49.27	387.75	7.20	-42.07
CC1=CC=CN=C1C(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C(C)(C)C	REAL300008076270	0	43	-1.0	-52.04	355.79	6.44	-45.60
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076271	0	46	-1.0	-55.43	371.44	6.37	-49.06
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(C)(C)C	REAL300008076272	0	46	-1.0	-48.76	372.73	6.49	-42.27
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C(C)(C)C	REAL300008076273	0	46	-1.0	-55.84	360.37	7.56	-48.28
CC1=CC=CN=C1C(NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076274	0	44	-1.0	-52.71	362.37	4.20	-48.51
CC1=CC=CN=C1C(NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C(C)(C)C	REAL300008076275	0	46	-1.0	-52.08	379.08	4.66	-47.42
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(C)(C)C	REAL300008076276	0	43	-1.0	-47.89	366.60	5.65	-42.24
CC1=CC=CN=C1C(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C(C)(C)C	REAL300008076277	0	43	-1.0	-55.51	351.38	3.58	-51.93
CC1=CC=CN=C1C(NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300008076278	0	51	-1.0	-50.88	380.31	5.26	-45.62
CC1=CC=CN=C1C(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C	REAL300008076279	0	51	-1.0	-45.09	381.91	5.48	-39.61
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C(C)(C)C	REAL300008076280	0	46	-1.0	-55.84	360.37	7.56	-48.28
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C(C)(C)C	REAL300008076281	0	46	-1.0	-49.00	377.07	8.09	-40.91
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C(C)(C)C	REAL300008076282	0	43	-1.0	-47.51	359.80	4.88	-42.63
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)O1	REAL300008076283	0	46	-1.0	-50.34	377.46	5.38	-44.96
CC1=CC=CN=C1C(NS(=O)(=O)CCCC(=O)[O-])C(C)(C)C	REAL300008076284	0	45	-1.0	-54.16	359.47	5.12	-49.04
CC1=CC=CN=C1C(NS(=O)(=O)N1CCCC1C(=O)[O-])C(C)(C)C	REAL300008076285	0	48	-1.0	-49.61	363.83	5.34	-44.27
CC1=CC=CN=C1C(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C(C)(C)C	REAL300008076286	0	49	-1.0	-55.74	398.31	7.20	-48.54
CC1=CC=CN=C1C(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C	REAL300008076287	0	51	-1.0	-45.09	381.91	5.48	-39.61
CC1=CC=CN=C1C(NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076288	0	49	-1.0	-60.44	396.78	7.23	-53.21
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C(C)(C)C	REAL300008076289	0	43	-1.0	-47.51	359.80	4.88	-42.63
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(C)(C)C	REAL300008076290	0	50	-1.0	-49.16	403.82	6.77	-42.39
CC1=CC=CN=C1C(NS(=O)(=O)CCCC(=O)[O-])C(C)(C)C	REAL300008076291	0	45	-1.0	-54.16	359.47	5.12	-49.04
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(C)(C)C	REAL300008076292	0	43	-1.0	-51.17	366.50	5.56	-45.61
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C(C)(C)C	REAL300008076293	0	52	-1.0	-54.18	403.28	8.02	-46.16
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-])C(C)(C)C	REAL300008076294	0	49	-1.0	-58.39	390.58	7.82	-50.57
CC1=CC=CN=C1C(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076295	0	43	-1.0	-53.37	365.39	5.55	-47.82
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C(C)(C)C	REAL300008076296	0	49	-1.0	-50.39	379.81	7.46	-42.93
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(C)(C)C	REAL300008076297	0	49	-1.0	-49.89	394.94	7.27	-42.62
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C(C)(C)C	REAL300008076298	0	43	-1.0	-49.82	360.06	4.62	-45.20
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(C)(C)C	REAL300008076299	0	49	-1.0	-54.65	393.62	7.13	-47.52
CC1=C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)C=C(C(=O)[O-])O1	REAL300008076300	0	46	-1.0	-50.60	373.92	5.82	-44.78
CC1=CC=CN=C1C(NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076301	0	45	-1.0	-48.08	366.24	4.59	-43.49
CC1=CC=CN=C1C(NS(=O)(=O)C1=CSN=C1C(=O)[O-])C(C)(C)C	REAL300008076302	0	42	-1.0	-55.97	348.82	4.91	-51.06
CC1=CC=CN=C1C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C(C)(C)C	REAL300008076302	1	41	-2.0	-123.69	349.42	4.40	-119.29
CC1=CC=CN=C1C(NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C(C)(C)C	REAL300008076303	0	42	-1.0	-67.39	345.15	3.85	-63.54
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C(C)(C)C	REAL300008076304	0	45	-1.0	-58.98	356.54	6.00	-52.98
CC1=CC=CN=C1C(NS(=O)(=O)CCCCCC(=O)[O-])C(C)(C)C	REAL300008076305	0	51	-1.0	-55.79	402.47	6.68	-49.11
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C(C)(C)C	REAL300008076306	0	45	-1.0	-49.11	368.61	4.62	-44.49
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076307	0	46	-1.0	-48.44	390.81	7.02	-41.42
COC1=CC=C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)C=C1C(=O)[O-]	REAL300008076308	0	50	-1.0	-55.42	400.76	6.58	-48.84
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C(C)(C)C	REAL300008076309	0	49	-1.0	-46.97	387.65	7.19	-39.78
CC1=CC=CN=C1C(NS(=O)(=O)N(C)CCC(=O)[O-])C(C)(C)C	REAL300008076310	0	47	-1.0	-51.71	371.38	4.67	-47.04
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076311	0	46	-1.0	-48.44	390.81	7.02	-41.42
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC(C1=NC=CC=C1C)C(C)(C)C	REAL300008076312	0	46	-1.0	-52.98	369.77	6.98	-46.00
CC1=CC=CN=C1C(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C(C)(C)C	REAL300008076313	0	49	-1.0	-55.74	398.31	7.20	-48.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1=NC=CC=C1C)C(C)(C)C	REAL300008076314	0	50	-1.0	-56.03	400.52	6.29	-49.74
CC1=CC=C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)C=C1C(=O)[O-]	REAL300008076315	0	49	-1.0	-49.27	387.75	7.20	-42.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C1=NC=CC=C1C)C(C)(C)C	REAL300008076316	0	49	-1.0	-55.59	382.52	6.92	-48.67
CC1=CC=CN=C1C(NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(C)(C)C	REAL300008076317	0	49	-1.0	-51.25	383.28	6.41	-44.84
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(C)(C)C	REAL300008076318	0	49	-1.0	-54.65	393.62	7.13	-47.52
COC1=C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)SC(C(=O)[O-])=C1	REAL300008076319	0	47	-1.0	-49.02	386.29	4.63	-44.39
CCC1=C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)C=C(C(=O)[O-])O1	REAL300008076320	0	49	-1.0	-50.67	390.69	6.74	-43.93
CC1=CC=CN=C1C(NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1)C(C)(C)C	REAL300008076321	0	48	-1.0	-47.68	389.79	5.34	-42.34
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C1=NC=CC=C1C)C(C)(C)C	REAL300008076322	0	50	-1.0	-49.18	386.33	6.45	-42.73
COC1=CC(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)=CC=C1C(=O)[O-]	REAL300008076323	0	50	-1.0	-52.90	400.79	6.56	-46.34
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C(C)(C)C	REAL300008076324	0	49	-1.0	-51.00	401.16	7.31	-43.69
CC1=CC=CN=C1C(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C(C)(C)C	REAL300008076325	0	46	-1.0	-48.22	356.61	4.75	-43.47
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)=C1	REAL300008076326	0	46	-1.0	-48.41	377.95	5.55	-42.86
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(C)(C)C	REAL300008076327	0	46	-1.0	-47.77	386.00	6.90	-40.87
CC1=CC=CN=C1C(NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C(C)(C)C	REAL300008076328	0	43	-1.0	-56.65	352.47	5.40	-51.25
CC1=CC=CN=C1C(NS(=O)(=O)C1(C(=O)[O-])CCC1)C(C)(C)C	REAL300008076329	0	46	-1.0	-45.39	344.94	5.51	-39.88
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)=C1	REAL300008076330	0	50	-1.0	-53.79	389.72	6.89	-46.90
CC1=CC=CN=C1C(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C(C)(C)C	REAL300008076331	0	43	-1.0	-55.51	351.38	3.58	-51.93
CC1=CC=CN=C1C(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C(C)(C)C	REAL300008076332	0	46	-1.0	-48.22	356.61	4.75	-43.47
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(C)(C)C	REAL300008076333	0	45	-1.0	-47.74	369.31	4.57	-43.17
CC1=CC=CN=C1C(NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C(C)(C)C	REAL300008076334	0	49	-1.0	-61.30	386.80	7.63	-53.67
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)(C)C	REAL300008076335	0	43	-1.0	-46.36	374.13	5.20	-41.16
COC1=CC=C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)C(C(=O)[O-])=C1	REAL300008076336	0	50	-1.0	-56.68	389.73	6.85	-49.83
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076337	0	45	-1.0	-52.09	369.59	4.73	-47.36
CC1=CC=CN=C1C(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076338	0	43	-1.0	-44.03	357.83	2.77	-41.26
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C(C)(C)C	REAL300008076339	0	46	-1.0	-54.15	376.52	4.27	-49.88
CC1=CC=CN=C1C(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(C)(C)C	REAL300008076340	0	46	-1.0	-49.96	358.27	5.45	-44.51
CC1=CC=CN=C1C(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)(C)C	REAL300008076341	0	49	-1.0	-53.23	381.97	6.25	-46.98
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C2=NC=CC=C2C)C(C)(C)C)S1	REAL300008076342	0	46	-1.0	-50.72	384.49	6.22	-44.50
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C(C)(C)C	REAL300008076343	0	49	-1.0	-45.65	381.24	7.40	-38.25
CC1=CC=CN=C1C(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C(C)(C)C	REAL300008076344	0	46	-1.0	-55.91	370.58	5.84	-50.07
CC1=CC=CN=C1C(NS(=O)(=O)N1CCCCC1C(=O)[O-])C(C)(C)C	REAL300008076345	0	51	-1.0	-56.75	384.56	6.37	-50.38
CC1=CC=CN=C1C(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C(C)(C)C	REAL300008076346	0	43	-1.0	-44.03	357.83	2.77	-41.26
CC1=CC=CN=C1C(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(C)(C)C	REAL300008076347	0	48	-1.0	-44.74	354.39	4.61	-40.13
CC1=CC=CN=C1C(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C(C)(C)C	REAL300008076348	0	43	-1.0	-55.51	351.38	3.58	-51.93
CC1=CC=CN=C1C(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C(C)(C)C	REAL300008076349	0	46	-1.0	-57.63	355.77	6.29	-51.34
CC1=CC=CN=C1C(NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C(C)(C)C	REAL300008076350	0	48	-1.0	-51.37	386.94	5.25	-46.12
CC1=CC=CN=C1C(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C(C)(C)C	REAL300008076351	0	49	-1.0	-45.65	381.24	7.40	-38.25
CC1=CC=CN=C1C(NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C(C)(C)C	REAL300008076352	0	45	-1.0	-49.40	353.33	5.29	-44.11
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008076353	0	42	-1.0	-57.88	373.13	8.09	-49.79
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008076354	0	42	-1.0	-55.41	373.76	8.05	-47.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300008076355	0	45	-1.0	-56.93	388.56	8.91	-48.02
CC1=CC=C(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300008076356	0	45	-1.0	-57.26	393.84	8.69	-48.57
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008076357	0	39	-1.0	-53.23	349.26	7.48	-45.75
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008076358	0	42	-1.0	-55.41	373.76	8.05	-47.36
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008076359	0	42	-1.0	-57.88	373.13	8.09	-49.79
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008076360	0	42	-1.0	-69.56	364.23	9.17	-60.39
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008076361	0	40	-1.0	-58.71	347.53	5.54	-53.17
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008076362	0	42	-1.0	-53.49	372.07	5.92	-47.57
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008076363	0	39	-1.0	-52.34	365.80	7.18	-45.16
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008076364	0	39	-1.0	-62.61	346.16	4.96	-57.65
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008076365	0	47	-1.0	-53.82	392.41	7.19	-46.63
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008076366	0	47	-1.0	-63.13	390.74	7.20	-55.93
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008076367	0	42	-1.0	-69.56	364.23	9.17	-60.39
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008076368	0	39	-1.0	-51.45	356.60	6.44	-45.01
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)O1	REAL300008076369	0	42	-1.0	-58.19	363.55	6.71	-51.48
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300008076370	0	41	-1.0	-52.52	356.60	6.64	-45.88
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008076371	0	44	-1.0	-75.55	372.90	7.22	-68.33
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008076372	0	45	-1.0	-68.85	396.60	8.87	-59.98
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008076373	0	47	-1.0	-63.13	390.74	7.20	-55.93
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008076374	0	45	-1.0	-73.05	396.61	8.86	-64.19
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008076375	0	39	-1.0	-51.45	356.60	6.44	-45.01
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300008076376	0	41	-1.0	-52.52	356.60	6.64	-45.88
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008076377	0	39	-1.0	-54.90	359.92	6.86	-48.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)=C1C	REAL300008076378	0	48	-1.0	-60.17	396.70	9.07	-51.10
CC1=CC=CC(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)=C1C(=O)[O-]	REAL300008076379	0	45	-1.0	-80.74	389.27	9.29	-71.45
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008076380	0	39	-1.0	-59.95	365.40	7.10	-52.85
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300008076381	0	45	-1.0	-55.86	374.29	8.40	-47.46
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008076382	0	45	-1.0	-59.44	395.91	8.84	-50.60
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008076383	0	39	-1.0	-53.71	356.75	6.18	-47.53
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008076384	0	45	-1.0	-62.28	395.91	8.83	-53.45
CC1=C(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300008076385	0	42	-1.0	-67.97	369.37	7.02	-60.95
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008076386	0	41	-1.0	-50.39	369.09	6.26	-44.13
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008076387	0	38	-1.0	-75.91	353.98	6.25	-69.66
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008076388	0	38	-1.0	-58.91	347.78	5.60	-53.31
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008076389	0	41	-1.0	-80.18	360.19	7.26	-72.92
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008076390	0	47	-1.0	-53.52	399.60	8.20	-45.32
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008076391	0	41	-1.0	-53.21	362.43	5.95	-47.26
CC1=CC(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300008076392	0	45	-1.0	-57.52	389.75	8.60	-48.92
CN(CCC(=O)[O-])S(=O)(=O)N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300008076393	0	43	-1.0	-52.54	363.01	5.91	-46.63
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300008076394	0	42	-1.0	-53.98	363.43	8.18	-45.80
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008076395	0	45	-1.0	-68.85	396.60	8.87	-59.98
CC1=CC=C(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300008076396	0	45	-1.0	-57.26	393.84	8.69	-48.57
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300008076397	0	45	-1.0	-56.93	388.56	8.91	-48.02
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008076398	0	45	-1.0	-58.63	383.83	7.99	-50.64
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008076399	0	45	-1.0	-62.28	395.91	8.83	-53.45
CCC1=C(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])O1	REAL300008076400	0	45	-1.0	-62.76	387.31	7.55	-55.21
CC1=NC=C(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300008076401	0	44	-1.0	-52.78	380.76	6.85	-45.93
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008076402	0	42	-1.0	-65.43	363.34	6.36	-59.07
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300008076403	0	42	-1.0	-52.34	374.58	7.03	-45.31
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008076404	0	39	-1.0	-63.48	347.21	6.77	-56.71
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008076405	0	42	-1.0	-47.35	352.33	7.13	-40.22
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008076406	0	39	-1.0	-62.61	346.16	4.96	-57.65
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008076407	0	42	-1.0	-65.43	363.34	6.36	-59.07
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008076408	0	41	-1.0	-59.57	369.36	6.21	-53.36
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008076409	0	45	-1.0	-63.36	384.25	9.32	-54.04
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008076410	0	39	-1.0	-54.25	360.38	6.51	-47.74
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008076411	0	41	-1.0	-58.74	362.53	6.27	-52.47
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008076412	0	39	-1.0	-52.29	343.45	4.10	-48.19
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008076413	0	42	-1.0	-64.75	371.28	5.68	-59.07
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008076414	0	42	-1.0	-57.23	361.25	7.34	-49.89
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008076415	0	45	-1.0	-67.06	376.60	7.72	-59.34
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)S1	REAL300008076416	0	42	-1.0	-52.91	383.86	7.77	-45.14
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008076417	0	45	-1.0	-60.46	386.30	9.21	-51.25
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008076418	0	42	-1.0	-66.87	370.26	7.48	-59.39
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008076419	0	47	-1.0	-63.88	376.91	7.87	-56.01
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008076420	0	39	-1.0	-52.29	343.45	4.10	-48.19
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008076421	0	44	-1.0	-63.54	372.42	7.11	-56.43
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008076422	0	39	-1.0	-62.61	346.16	4.96	-57.65
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008076423	0	42	-1.0	-73.74	353.26	7.84	-65.90
CC1=CC(S(=O)(=O)N(C)CC2=NN(C3=CC=CC=C3)C=C2)=CN=C1C(=O)[O-]	REAL300008076424	0	44	-1.0	-58.15	381.95	6.89	-51.26
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008076425	0	45	-1.0	-60.46	386.30	9.21	-51.25
CN(CC1=NN(C2=CC=CC=C2)C=C1)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008076426	0	41	-1.0	-69.74	359.59	7.31	-62.43
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076427	0	43	-1.0	-42.14	348.03	6.13	-36.01
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076428	0	38	-1.0	-43.54	304.86	4.02	-39.52
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076429	0	34	-1.0	-40.52	306.94	5.08	-35.44
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008076430	0	35	-1.0	-42.08	293.68	3.69	-38.39
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008076431	0	37	-1.0	-54.26	334.36	1.13	-53.13
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008076432	0	35	-1.0	-40.97	314.87	3.30	-37.67
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1OC	REAL300008076433	0	42	-1.0	-43.33	339.76	3.53	-39.80
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076434	0	34	-1.0	-39.81	298.27	4.86	-34.95
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008076435	0	47	-1.0	-42.38	371.23	7.35	-35.03
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008076436	0	37	-1.0	-45.39	310.36	2.61	-42.78
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008076437	0	31	-1.0	-42.64	287.58	4.33	-38.31
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008076438	0	31	-1.0	-41.55	290.16	4.13	-37.42
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076439	0	36	-1.0	-47.61	303.45	6.06	-41.55
CC(C)[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008076440	0	37	-1.0	-40.53	325.36	5.42	-35.11
CC(C)[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008076441	0	41	-1.0	-45.81	350.72	0.03	-45.78
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076442	0	42	-1.0	-43.30	350.57	5.37	-37.93
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008076443	0	37	-1.0	-44.20	307.64	3.86	-40.34
COCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076444	0	38	-1.0	-43.24	326.70	3.35	-39.89
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300008076445	0	37	-1.0	-42.19	318.39	1.18	-41.01
CC(C)[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008076446	0	40	-1.0	-53.40	350.91	1.66	-51.74
CC(C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008076447	0	36	-1.0	-48.95	316.42	-0.49	-49.44
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1C	REAL300008076448	0	41	-1.0	-44.28	332.10	4.41	-39.87
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008076449	0	36	-1.0	-43.40	313.41	4.60	-38.80
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008076450	0	34	-1.0	-40.88	317.36	4.91	-35.97
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008076451	0	36	-1.0	-49.15	309.84	3.90	-45.25
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076452	0	48	-1.0	-48.27	409.66	2.80	-45.47
CC(C)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300008076453	0	41	-1.0	-43.08	341.74	-0.77	-43.85
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300008076454	0	40	-1.0	-51.63	345.70	4.95	-46.68
CCN1N=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300008076455	0	40	-1.0	-48.53	332.13	3.52	-45.01
CC(C)CN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076456	0	40	-1.0	-51.05	323.76	5.23	-45.82
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008076457	0	43	-1.0	-45.46	316.86	5.79	-39.67
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300008076458	0	44	-1.0	-51.43	372.71	6.44	-44.99
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008076459	0	39	-1.0	-50.15	335.34	2.92	-47.23
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300008076460	0	37	-1.0	-42.93	340.30	4.74	-38.19
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1OC	REAL300008076461	0	39	-1.0	-53.62	342.88	3.26	-50.36
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(OC)C=C1Br	REAL300008076462	0	39	-1.0	-41.07	329.83	3.24	-37.83
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008076463	0	34	-1.0	-40.81	305.38	4.65	-36.16
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008076464	0	37	-1.0	-42.24	318.00	6.09	-36.15
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008076465	0	36	-1.0	-38.36	316.59	5.60	-32.76
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008076466	0	35	-1.0	-43.94	311.35	3.11	-40.83
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008076467	0	38	-1.0	-44.05	321.86	5.17	-38.88
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076468	0	46	-1.0	-48.23	366.38	4.63	-43.60
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008076469	0	34	-1.0	-43.67	307.82	4.55	-39.12
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076470	0	42	-1.0	-45.96	339.33	3.28	-42.68
CC(=O)C1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300008084001	0	42	-1.0	-55.37	361.25	6.51	-48.86
CC1=CC=C(C)C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300008084002	0	43	-1.0	-57.99	353.36	7.23	-50.76
CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1C	REAL300008084003	0	43	-1.0	-52.50	359.24	7.31	-45.19
CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C(C)=C1	REAL300008084004	0	43	-1.0	-52.42	347.94	7.33	-45.09
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300008084005	0	49	-1.0	-53.14	396.99	8.44	-44.70
CC(C)C1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300008084006	0	46	-1.0	-52.74	381.01	8.05	-44.69
CCCCS(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300008084007	0	39	-1.0	-51.25	327.64	5.39	-45.86
CCCC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300008084008	0	46	-1.0	-53.17	385.19	8.34	-44.83
COC1=CC=CC=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300008084009	0	41	-1.0	-53.53	340.39	6.03	-47.50
O=C([O-])C1=CC=C2CN(S(=O)(=O)CC3=CC=CC=C3)CCOC2=C1	REAL300008084010	0	40	-1.0	-53.43	344.55	6.86	-46.57
CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1[N+](=O)[O-]	REAL300008084011	0	42	-1.0	-60.50	364.99	7.31	-53.19
CC1=NNC(C)=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300008084012	0	40	-1.0	-59.00	334.29	3.84	-55.16
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C4CCCCC4=C3)CCOC2=C1	REAL300008084013	0	47	-1.0	-53.29	383.51	8.61	-44.68
COC1=CC=C(OC)C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300008084014	0	45	-1.0	-60.99	376.09	5.20	-55.79
COC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1OC	REAL300008084015	0	45	-1.0	-59.67	380.23	5.27	-54.40
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C4CCCC4=C3)CCOC2=C1	REAL300008084016	0	44	-1.0	-53.65	366.35	8.04	-45.61
CC1=NOC(C)=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300008084017	0	39	-1.0	-56.95	331.36	4.93	-52.02
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC4=CC=CC=C4CC3)CCOC2=C1	REAL300008084018	0	45	-1.0	-53.73	373.91	8.48	-45.25
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C4OCCC4=C3)CCOC2=C1	REAL300008084019	0	42	-1.0	-53.87	356.72	5.99	-47.88
O=C([O-])C1=CC=C2CN(S(=O)(=O)N3CCCCCC3)CCOC2=C1	REAL300008084020	0	45	-1.0	-49.99	349.05	6.06	-43.93
CC1=CC2=CC=CC(S(=O)(=O)N3CCOC4=CC(C(=O)[O-])=CC=C4C3)=C2N=C1	REAL300008084021	0	45	-1.0	-61.91	379.86	7.60	-54.31
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300008084022	0	41	-1.0	-53.53	357.35	6.55	-46.98
O=C([O-])C1=CC=C2CN(S(=O)(=O)N3CCCCC3)CCOC2=C1	REAL300008084023	0	42	-1.0	-50.62	324.60	4.73	-45.89
O=C([O-])C1=CC=C2CN(S(=O)(=O)N3CCCC3)CCOC2=C1	REAL300008084024	0	39	-1.0	-50.28	320.38	4.28	-46.00
O=C([O-])C1=CC=C2CN(S(=O)(=O)N3CCC4=CC=CC=C4C3)CCOC2=C1	REAL300008084025	0	46	-1.0	-56.72	378.63	7.36	-49.36
CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C2=CC=CN=C12	REAL300008084026	0	45	-1.0	-59.56	372.76	7.05	-52.51
CC1CCN(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)CC1	REAL300008084027	0	45	-1.0	-56.20	360.93	5.87	-50.33
CC1CC(C)CN(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C1	REAL300008084028	0	48	-1.0	-51.00	364.13	5.82	-45.18
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC4=CC=CC=C43)CCOC2=C1	REAL300008084029	0	43	-1.0	-63.68	363.09	8.62	-55.06
CC1=CC=C(F)C=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300008084030	0	40	-1.0	-59.11	335.18	6.49	-52.62
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC4=NSN=C43)CCOC2=C1	REAL300008084031	0	38	-1.0	-56.33	339.95	4.64	-51.69
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300008084032	0	41	-1.0	-59.01	363.36	6.42	-52.59
COC1=CC=CC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300008084033	0	41	-1.0	-54.65	350.29	5.42	-49.23
CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1Cl	REAL300008084034	0	40	-1.0	-57.13	356.97	7.18	-49.95
CC(C)OC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300008084035	0	47	-1.0	-53.35	390.06	6.97	-46.38
CCC1=CC=CC=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300008084036	0	43	-1.0	-51.89	344.07	7.50	-44.39
CC1=CC=CC=C1S(=O)(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300008084037	0	40	-1.0	-52.31	327.26	6.62	-45.69
CC1=NC(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)=CN1C	REAL300008084038	0	40	-1.0	-63.47	345.04	4.99	-58.48
O=C([O-])C1=CC=C2CN(S(=O)(=O)CC3=CC=CC(Cl)=C3)CCOC2=C1	REAL300008084039	0	40	-1.0	-53.82	361.28	7.37	-46.45
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC4=NON=C43)CCOC2=C1	REAL300008084040	0	38	-1.0	-56.85	333.16	4.98	-51.87
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC4=CC=CN=C43)CCOC2=C1	REAL300008084041	0	42	-1.0	-62.48	358.45	6.95	-55.53
COC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1F	REAL300008084042	0	41	-1.0	-54.79	356.51	5.49	-49.30
CC1=CC=C(S(=O)(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=C1F	REAL300008084043	0	40	-1.0	-57.58	348.23	6.77	-50.81
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COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)=C1	REAL300008084342	0	43	-1.0	-53.99	360.27	4.92	-49.07
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008084343	0	33	-1.0	-50.47	296.69	4.26	-46.21
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008084344	0	39	-1.0	-42.25	335.29	7.14	-35.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C	REAL300008084345	0	39	-1.0	-48.66	315.97	5.98	-42.68
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008084346	0	39	-1.0	-52.35	333.86	7.56	-44.79
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008084347	0	39	-1.0	-48.18	326.97	5.98	-42.20
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)C=C1[N+](=O)[O-]	REAL300008084348	0	41	-1.0	-42.67	343.45	6.24	-36.43
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008084349	0	39	-1.0	-51.29	327.32	5.97	-45.32
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008084350	0	32	-1.0	-50.67	284.51	3.53	-47.14
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008084351	0	32	-1.0	-54.12	287.14	2.96	-51.16
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008084352	0	36	-1.0	-46.72	321.92	5.71	-41.01
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008084353	0	36	-1.0	-46.73	326.48	5.82	-40.91
COC1=CC=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)C=C1C(=O)[O-]	REAL300008084354	0	40	-1.0	-57.65	332.27	5.28	-52.37
CC1=CC(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)=CC=C1C(=O)[O-]	REAL300008084355	0	39	-1.0	-47.70	321.20	5.73	-41.97
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008084356	0	41	-1.0	-51.91	341.46	5.75	-46.16
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)=C1	REAL300008084357	0	43	-1.0	-53.99	360.27	4.92	-49.07
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008084358	0	36	-1.0	-46.72	321.92	5.71	-41.01
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C	REAL300008084359	0	36	-1.0	-49.15	307.34	5.87	-43.28
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C	REAL300008084360	0	39	-1.0	-50.22	337.31	6.66	-43.56
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N[C@@H]3CC=CC[C@H]3C)C=C21	REAL300008084361	0	42	-1.0	-50.75	352.15	6.54	-44.21
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008084362	0	39	-1.0	-56.46	327.79	5.92	-50.54
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C	REAL300008084363	0	40	-1.0	-54.63	320.15	5.02	-49.61
CC1=CC=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)C=C1C(=O)[O-]	REAL300008084364	0	39	-1.0	-52.42	321.01	5.74	-46.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C	REAL300008084365	0	39	-1.0	-55.92	323.45	6.23	-49.69
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C	REAL300008084366	0	40	-1.0	-46.22	341.45	5.29	-40.93
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008084367	0	39	-1.0	-51.29	327.32	5.97	-45.32
COC1=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)SC(C(=O)[O-])=C1	REAL300008084368	0	37	-1.0	-46.59	325.45	4.41	-42.18
CC1=C(Br)C=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)C=C1C(=O)[O-]	REAL300008084369	0	39	-1.0	-47.45	343.08	6.37	-41.08
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008084370	0	41	-1.0	-48.95	342.01	5.88	-43.07
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008084371	0	39	-1.0	-47.27	335.30	6.01	-41.26
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008084372	0	43	-1.0	-51.99	351.33	7.08	-44.91
CCC1=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)C=C(C(=O)[O-])O1	REAL300008084373	0	39	-1.0	-53.04	331.11	5.18	-47.86
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008084374	0	38	-1.0	-43.99	324.47	6.79	-37.20
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008084375	0	39	-1.0	-50.27	343.07	6.70	-43.57
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008084376	0	38	-1.0	-39.11	324.43	6.79	-32.32
CC1=NC=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)C=C1C(=O)[O-]	REAL300008084377	0	38	-1.0	-46.68	316.66	3.91	-42.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C	REAL300008084378	0	40	-1.0	-48.04	320.48	5.03	-43.01
COC1=CC(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)=CC=C1C(=O)[O-]	REAL300008084379	0	40	-1.0	-53.64	332.46	5.28	-48.36
COC1=CC=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)C(CC(=O)[O-])=C1	REAL300008084380	0	43	-1.0	-56.94	348.89	5.78	-51.16
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008084381	0	39	-1.0	-50.48	332.78	6.01	-44.47
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008084382	0	39	-1.0	-46.30	343.89	6.19	-40.11
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008084383	0	45	-1.0	-47.75	357.94	6.83	-40.92
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008084384	0	42	-1.0	-50.51	343.36	7.49	-43.02
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008084385	0	36	-1.0	-43.81	317.56	6.74	-37.07
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008084386	0	36	-1.0	-49.92	317.50	5.60	-44.32
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)=C1	REAL300008084387	0	40	-1.0	-48.69	325.48	5.46	-43.23
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)=C1OC	REAL300008084388	0	48	-1.0	-49.71	379.58	6.28	-43.43
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008084389	0	38	-2.0	-135.74	331.84	6.18	-129.56
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C	REAL300008084390	0	43	-1.0	-54.00	353.26	5.44	-48.56
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008084391	0	39	-1.0	-56.42	318.06	6.32	-50.10
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008084392	0	33	-1.0	-46.06	305.75	3.94	-42.12
C[C@@H]1CC=CC[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008084392	1	32	-2.0	-96.37	302.02	3.73	-92.64
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008084393	0	42	-1.0	-50.94	343.06	7.50	-43.44
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C	REAL300008084394	0	43	-1.0	-54.37	335.30	5.66	-48.71
COC1=CC=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)C(C(=O)[O-])=C1	REAL300008084395	0	40	-1.0	-50.97	325.57	5.44	-45.53
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008084396	0	42	-1.0	-51.29	351.17	7.47	-43.82
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)S1	REAL300008084397	0	36	-1.0	-48.92	314.64	4.92	-44.00
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008084398	0	42	-1.0	-53.21	341.74	8.40	-44.81
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008084399	0	39	-1.0	-46.24	329.51	6.74	-39.50
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008084400	0	39	-1.0	-56.20	319.11	6.46	-49.74
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008084401	0	36	-1.0	-47.81	334.26	5.82	-41.99
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008084402	0	39	-1.0	-60.38	335.29	3.93	-56.45
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008084403	0	39	-1.0	-44.98	335.09	6.59	-38.39
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008084404	0	41	-1.0	-53.59	310.34	5.24	-48.35
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008084405	0	33	-1.0	-41.67	306.95	5.65	-36.02
CC1=CC(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)=CN=C1C(=O)[O-]	REAL300008084406	0	38	-1.0	-50.68	317.75	3.94	-46.74
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008084407	0	39	-1.0	-56.20	319.11	6.46	-49.74
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C)C=C1C(=O)[O-]	REAL300008084408	0	43	-1.0	-58.04	354.13	6.19	-51.85
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008084409	0	43	-1.0	-51.86	350.26	7.09	-44.77
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008084410	0	41	-1.0	-54.60	346.91	5.59	-49.01
CCC(C)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084411	0	43	-1.0	-51.34	340.99	7.01	-44.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300008084412	0	38	-1.0	-44.74	308.95	4.92	-39.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300008084413	0	34	-1.0	-39.46	296.31	5.67	-33.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008084414	0	35	-1.0	-43.20	299.86	5.16	-38.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008084415	0	37	-1.0	-57.25	323.53	2.00	-55.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008084416	0	35	-1.0	-52.63	306.67	5.15	-47.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300008084417	0	42	-1.0	-43.74	328.47	3.95	-39.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300008084418	0	34	-1.0	-50.48	287.26	5.69	-44.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008084419	0	47	-1.0	-51.19	364.70	8.29	-42.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008084420	0	37	-1.0	-46.44	310.41	3.74	-42.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300008084421	0	31	-1.0	-51.06	272.15	5.11	-45.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008084422	0	31	-1.0	-54.14	280.91	5.93	-48.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300008084423	0	36	-1.0	-74.50	289.95	6.81	-67.69
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008084424	0	37	-1.0	-43.24	327.31	6.62	-36.62
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008084425	0	41	-1.0	-69.96	350.55	1.70	-68.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300008084426	0	42	-1.0	-51.62	345.44	6.33	-45.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008084427	0	37	-1.0	-56.69	305.33	5.83	-50.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300008084428	0	38	-1.0	-52.49	317.38	4.16	-48.33
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=N1	REAL300008084429	0	37	-1.0	-54.96	316.33	2.36	-52.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008084430	0	40	-1.0	-64.66	347.33	2.63	-62.03
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300008084431	0	36	-1.0	-73.93	311.03	1.53	-72.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300008084432	0	41	-1.0	-41.60	314.57	4.78	-36.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008084433	0	36	-1.0	-43.03	318.27	4.89	-38.14
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008084434	0	34	-1.0	-56.72	309.44	5.88	-50.84
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008084435	0	36	-1.0	-56.55	301.52	5.73	-50.82
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084436	0	48	-1.0	-56.11	403.88	3.52	-52.59
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300008084437	0	41	-1.0	-53.05	336.82	0.20	-52.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300008084438	0	40	-1.0	-53.16	326.27	5.96	-47.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300008084439	0	40	-1.0	-48.77	323.10	4.46	-44.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300008084440	0	40	-1.0	-58.94	327.94	5.74	-53.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008084441	0	43	-1.0	-54.76	309.93	7.15	-47.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008084442	0	44	-1.0	-48.85	357.28	7.04	-41.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008084443	0	39	-1.0	-64.13	328.52	3.84	-60.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300008084444	0	37	-1.0	-42.95	332.69	5.75	-37.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300008084445	0	39	-1.0	-42.85	330.48	4.06	-38.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(Br)C=C1OC	REAL300008084446	0	39	-1.0	-41.45	337.38	4.22	-37.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300008084447	0	34	-1.0	-44.92	305.42	5.77	-39.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008084448	0	37	-1.0	-42.69	316.77	7.38	-35.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008084449	0	36	-1.0	-49.99	310.34	6.37	-43.62
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008084450	0	35	-1.0	-44.52	311.40	4.22	-40.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008084451	0	38	-1.0	-43.64	323.09	6.08	-37.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300008084452	0	46	-1.0	-45.11	355.73	5.47	-39.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008084453	0	34	-1.0	-51.13	295.02	5.35	-45.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300008084454	0	42	-1.0	-46.06	341.14	3.91	-42.15
CC1CN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CCC(C2=CC=CC=C2)O1	REAL300008091001	0	46	-1.0	-55.35	377.93	7.90	-47.45
CC1CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCC(C2=CC=CC=C2)O1	REAL300008091002	0	51	-1.0	-51.71	376.45	8.07	-43.64
CC1CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCC(C2=CC=CC=C2)O1	REAL300008091003	0	43	-1.0	-46.98	354.33	4.01	-42.97
CC1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC(C2=CC=CC=C2)O1	REAL300008091004	0	48	-1.0	-66.54	381.29	7.26	-59.28
CC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCC(C2=CC=CC=C2)O1	REAL300008091005	0	43	-1.0	-57.39	350.53	5.73	-51.66
CC1CN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCC(C2=CC=CC=C2)O1	REAL300008091006	0	46	-1.0	-55.61	352.86	7.92	-47.69
CC1=CC(S(=O)(=O)N2CCC(C3=CC=CC=C3)OC(C)C2)=CN=C1C(=O)[O-]	REAL300008091007	0	48	-1.0	-59.67	379.94	6.26	-53.41
CC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCC(C2=CC=CC=C2)O1	REAL300008091008	0	49	-1.0	-70.83	382.68	9.14	-61.69
CC1CN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])CCC(C2=CC=CC=C2)O1	REAL300008091009	0	45	-1.0	-62.24	357.14	7.40	-54.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091010	0	39	-1.0	-57.02	305.92	6.69	-50.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091011	0	40	-1.0	-56.29	324.67	6.06	-50.23
CC1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1C(=O)[O-]	REAL300008091012	0	39	-1.0	-52.42	311.77	6.73	-45.69
O=C([O-])C1=C(S(=O)(=O)N2CCCCC23CC3)C=CS1	REAL300008091013	0	33	-1.0	-48.22	278.03	5.71	-42.51
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC23CC3)S1	REAL300008091014	0	33	-1.0	-47.99	289.13	5.35	-42.64
O=C([O-])C1CCCN(S(=O)(=O)N2CCCCC23CC3)C1	REAL300008091015	0	41	-1.0	-49.64	312.95	5.28	-44.36
O=C([O-])C1CCN(S(=O)(=O)N2CCCCC23CC3)CC1	REAL300008091016	0	41	-1.0	-46.45	309.65	5.18	-41.27
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091017	0	36	-1.0	-59.78	303.94	7.79	-51.99
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCCC23CC3)C=C1	REAL300008091018	0	39	-1.0	-56.25	323.65	7.14	-49.11
O=C([O-])C1CCN(S(=O)(=O)N2CCCCC23CC3)CC1	REAL300008091019	0	41	-1.0	-46.45	309.65	5.18	-41.27
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091020	0	39	-1.0	-59.33	321.91	6.99	-52.34
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1	REAL300008091021	0	40	-1.0	-47.35	326.85	6.45	-40.90
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091022	0	40	-1.0	-45.48	335.47	7.25	-38.23
O=C([O-])C1=CSC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091023	0	33	-1.0	-50.01	290.08	5.26	-44.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCCC23CC3)=C1C	REAL300008091024	0	42	-1.0	-58.59	322.69	7.21	-51.38
CC1=CC=CC(S(=O)(=O)N2CCCCC23CC3)=C1C(=O)[O-]	REAL300008091025	0	39	-1.0	-57.31	306.26	7.15	-50.16
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091026	0	43	-1.0	-53.62	350.82	5.91	-47.71
O=C([O-])C1=CC(S(=O)(=O)N2CCCCC23CC3)=CS1	REAL300008091027	0	33	-1.0	-51.09	287.38	5.21	-45.88
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091028	0	39	-1.0	-57.28	326.00	8.29	-48.99
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091029	0	39	-1.0	-49.43	302.07	6.52	-42.91
O=C([O-])C1=C(S(=O)(=O)N2CCCCC23CC3)C2=CC=CC=C2S1	REAL300008091030	0	39	-1.0	-60.52	321.62	8.22	-52.30
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1	REAL300008091031	0	39	-1.0	-48.59	317.85	6.94	-41.65
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCCC23CC3)C=C1[N+](=O)[O-]	REAL300008091032	0	41	-1.0	-42.05	334.01	7.22	-34.83
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091033	0	39	-1.0	-48.47	317.85	6.93	-41.54
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091034	0	32	-1.0	-66.92	276.38	4.31	-62.61
O=C([O-])C1=C(S(=O)(=O)N2CCCCC23CC3)SC=N1	REAL300008091035	0	32	-1.0	-67.42	276.49	3.85	-63.57
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091036	0	36	-1.0	-47.41	312.49	6.70	-40.71
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091037	0	36	-1.0	-47.43	317.05	6.81	-40.62
COC1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1C(=O)[O-]	REAL300008091038	0	40	-1.0	-58.02	322.97	6.24	-51.78
CC1=CC(S(=O)(=O)N2CCCCC23CC3)=CC=C1C(=O)[O-]	REAL300008091039	0	39	-1.0	-47.45	311.54	6.70	-40.75
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCCCC34CC4)C=CC=C21	REAL300008091040	0	41	-1.0	-51.56	326.46	6.47	-45.09
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091041	0	43	-1.0	-53.62	350.82	5.91	-47.71
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091042	0	36	-1.0	-47.41	312.49	6.70	-40.71
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091043	0	36	-1.0	-50.43	289.89	6.40	-44.03
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091044	0	39	-1.0	-50.04	321.25	7.28	-42.76
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCCCC34CC4)C=C21	REAL300008091045	0	42	-1.0	-49.91	342.69	7.52	-42.39
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCCC23CC3)C=C1	REAL300008091046	0	39	-1.0	-56.25	323.65	7.14	-49.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091047	0	40	-1.0	-56.29	324.67	6.06	-50.23
CC1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1C(=O)[O-]	REAL300008091048	0	39	-1.0	-52.42	311.77	6.73	-45.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091049	0	39	-1.0	-57.02	305.92	6.69	-50.33
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091050	0	40	-1.0	-46.91	330.39	6.32	-40.59
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091051	0	39	-1.0	-48.47	317.85	6.93	-41.54
COC1=C(S(=O)(=O)N2CCCCC23CC3)SC(C(=O)[O-])=C1	REAL300008091052	0	37	-1.0	-47.64	319.53	5.18	-42.46
CC1=C(Br)C=C(S(=O)(=O)N2CCCCC23CC3)C=C1C(=O)[O-]	REAL300008091053	0	39	-1.0	-46.48	329.40	7.22	-39.26
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCCCC34CC4)=CC=C2O1	REAL300008091054	0	41	-1.0	-48.27	332.56	6.84	-41.43
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1C(F)(F)F	REAL300008091055	0	39	-1.0	-46.52	325.87	7.00	-39.52
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCCCC34CC4)C=C2)CC1	REAL300008091056	0	43	-1.0	-52.12	341.90	8.05	-44.07
CCC1=C(S(=O)(=O)N2CCCCC23CC3)C=C(C(=O)[O-])O1	REAL300008091057	0	39	-1.0	-53.28	317.90	5.92	-47.36
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091058	0	38	-1.0	-61.03	315.40	7.95	-53.08
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCCCC34CC4)=CC=C2S1	REAL300008091059	0	39	-1.0	-49.88	333.62	7.68	-42.20
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091060	0	38	-1.0	-52.34	315.37	7.95	-44.39
CC1=NC=C(S(=O)(=O)N2CCCCC23CC3)C=C1C(=O)[O-]	REAL300008091061	0	38	-1.0	-45.87	307.22	4.88	-40.99
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091062	0	40	-1.0	-48.26	327.59	6.21	-42.05
COC1=CC(S(=O)(=O)N2CCCCC23CC3)=CC=C1C(=O)[O-]	REAL300008091063	0	40	-1.0	-53.24	322.95	6.26	-46.98
COC1=CC=C(S(=O)(=O)N2CCCCC23CC3)C(CC(=O)[O-])=C1	REAL300008091064	0	43	-1.0	-64.66	339.26	6.67	-57.99
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1F	REAL300008091065	0	39	-1.0	-50.52	323.34	6.98	-43.54
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091066	0	39	-1.0	-45.47	334.80	7.17	-38.30
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1	REAL300008091067	0	45	-1.0	-49.35	348.93	7.81	-41.54
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCCCC34CC4)C=CC=C12	REAL300008091068	0	42	-1.0	-50.35	329.16	8.12	-42.23
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091069	0	36	-1.0	-59.85	308.51	7.90	-51.95
O=C([O-])C1=CC(S(=O)(=O)N2CCCCC23CC3)=CC=C1Cl	REAL300008091070	0	36	-1.0	-49.97	308.26	6.58	-43.39
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091071	0	40	-1.0	-64.87	316.58	6.60	-58.27
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CCCCC23CC3)=C1OC	REAL300008091072	0	48	-1.0	-50.30	384.91	7.40	-42.90
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1C(=O)[O-]	REAL300008091073	0	38	-2.0	-135.30	322.38	7.11	-128.19
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091074	0	43	-1.0	-54.81	337.81	5.91	-48.90
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCCCC12CC2	REAL300008091075	0	39	-1.0	-57.72	312.28	7.40	-50.32
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091076	0	33	-1.0	-46.18	298.70	5.02	-41.16
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC23CC3)C2=CC=CC=C12	REAL300008091077	0	42	-1.0	-50.58	329.54	8.26	-42.32
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091078	0	43	-1.0	-55.95	346.49	6.96	-48.99
COC1=CC=C(S(=O)(=O)N2CCCCC23CC3)C(C(=O)[O-])=C1	REAL300008091079	0	40	-1.0	-69.09	316.62	6.60	-62.49
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCCCC34CC4)C=C2C=C1	REAL300008091080	0	42	-1.0	-50.42	341.60	8.43	-41.99
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCCC23CC3)S1	REAL300008091081	0	36	-1.0	-50.18	306.77	5.92	-44.26
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091082	0	42	-1.0	-72.62	331.95	9.49	-63.13
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCCCC23CC3)=C1	REAL300008091083	0	39	-1.0	-43.42	323.29	7.62	-35.80
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091084	0	39	-1.0	-63.02	308.12	7.57	-55.45
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CCCCC13CC3)=C2	REAL300008091085	0	36	-1.0	-47.84	326.34	6.81	-41.03
O=C([O-])C1=NC(S(=O)(=O)N2CCCCC23CC3)=C2C=CC=CN21	REAL300008091086	0	39	-1.0	-66.98	325.07	5.17	-61.81
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCCCC34CC4)=C2C=C1	REAL300008091087	0	39	-1.0	-44.80	327.09	7.65	-37.15
O=C([O-])C1CCCCN1S(=O)(=O)N1CCCCC12CC2	REAL300008091088	0	41	-1.0	-53.50	300.03	5.71	-47.79
O=C([O-])C1=C(S(=O)(=O)N2CCCCC23CC3)C=C(Cl)S1	REAL300008091089	0	33	-1.0	-43.32	295.26	6.37	-36.95
CC1=CC(S(=O)(=O)N2CCCCC23CC3)=CN=C1C(=O)[O-]	REAL300008091090	0	38	-1.0	-50.47	308.49	4.91	-45.56
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCCC12CC2	REAL300008091091	0	39	-1.0	-63.02	308.12	7.57	-55.45
CCOC1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1C(=O)[O-]	REAL300008091092	0	43	-1.0	-59.09	344.90	7.18	-51.91
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCCCC34CC4)C=C2C1	REAL300008091093	0	43	-1.0	-52.46	341.11	8.05	-44.41
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCCCC34CC4)C=C2C=C1	REAL300008091094	0	41	-1.0	-53.29	337.44	6.56	-46.73
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008091095	0	38	-1.0	-53.56	310.80	6.04	-47.52
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC(F)=C2)CC1	REAL300008091096	0	38	-1.0	-42.39	314.82	5.95	-36.44
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091097	0	43	-1.0	-48.62	349.68	6.28	-42.34
CN(C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091098	0	36	-1.0	-47.07	289.06	3.17	-43.90
CCCCN(C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091099	0	45	-1.0	-46.54	349.49	5.52	-41.02
CCCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091100	0	40	-1.0	-50.10	315.74	5.19	-44.91
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CS2)CC1	REAL300008091101	0	35	-1.0	-43.49	303.86	4.99	-38.50
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091102	0	50	-1.0	-44.08	392.04	8.60	-35.48
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)S1	REAL300008091103	0	38	-1.0	-43.80	325.75	5.79	-38.01
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1	REAL300008091104	0	35	-1.0	-42.31	320.90	5.61	-36.70
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091105	0	45	-1.0	-45.11	355.67	6.51	-38.60
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CCOCC2)CC1	REAL300008091106	0	41	-1.0	-47.03	319.26	2.71	-44.32
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091107	0	41	-1.0	-42.11	332.45	6.85	-35.26
CN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091108	0	38	-1.0	-50.12	313.97	3.67	-46.45
CCN(CC)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091109	0	42	-1.0	-47.02	326.07	4.78	-42.24
CN(C1CCCCC1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091110	0	49	-1.0	-41.93	365.87	6.38	-35.55
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091111	0	44	-1.0	-45.71	343.13	4.88	-40.83
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)CC1	REAL300008091112	0	44	-1.0	-45.31	352.89	5.04	-40.27
CCC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091113	0	44	-1.0	-42.22	351.30	7.32	-34.90
CC1=NNC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091114	0	38	-1.0	-53.04	302.71	2.71	-50.33
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091115	0	43	-1.0	-60.54	333.85	7.95	-52.59
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300008091116	0	44	-1.0	-49.43	373.29	8.04	-41.39
CC1=CC(F)=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091117	0	41	-1.0	-44.41	341.18	6.74	-37.67
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2CC2)CC1	REAL300008091118	0	41	-1.0	-42.76	330.37	6.08	-36.68
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)CC1	REAL300008091119	0	44	-1.0	-48.45	354.62	6.47	-41.98
COCC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091120	0	45	-1.0	-42.93	363.48	5.61	-37.32
CCOC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091121	0	44	-1.0	-45.16	362.39	3.63	-41.53
CS(=O)(=O)CCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091122	0	43	-1.0	-63.97	357.93	1.98	-61.99
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=C1C	REAL300008091123	0	48	-1.0	-50.76	362.58	6.29	-44.47
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)CC1	REAL300008091124	0	43	-1.0	-46.29	349.38	6.28	-40.01
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=NOC=C2)CC1	REAL300008091125	0	37	-1.0	-46.12	307.20	3.90	-42.22
CC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=NN1C	REAL300008091126	0	41	-1.0	-50.19	325.68	4.05	-46.14
CN(C1CCOCC1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091127	0	47	-1.0	-46.89	354.53	3.98	-42.91
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CC3CCC2C3)CC1	REAL300008091128	0	44	-1.0	-42.09	337.36	5.45	-36.64
CCN1N=C(C)C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1C	REAL300008091129	0	47	-1.0	-48.81	365.88	5.81	-43.00
CC(C)N1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091130	0	44	-1.0	-46.77	358.13	5.11	-41.66
CC(C)CN1C=NC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091131	0	47	-1.0	-57.41	375.34	7.02	-50.39
CC(C)N1C=NC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091132	0	44	-1.0	-57.41	356.24	6.44	-50.97
CC(C)C1=NC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CN1	REAL300008091133	0	44	-1.0	-48.67	355.76	4.44	-44.23
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091134	0	50	-1.0	-48.58	359.96	8.57	-40.01
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CCCOC2)CC1	REAL300008091135	0	45	-1.0	-49.30	346.25	4.75	-44.55
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091136	0	41	-1.0	-50.58	321.11	6.35	-44.23
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)CC1	REAL300008091137	0	41	-1.0	-45.68	347.53	6.94	-38.74
COCCC(C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091138	0	44	-1.0	-50.07	341.43	4.33	-45.74
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091139	0	42	-1.0	-48.86	339.91	5.85	-43.01
CCC(C)CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091140	0	43	-1.0	-49.29	328.26	5.83	-43.46
CC1=NC2=C(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300008091141	0	46	-1.0	-55.31	367.65	7.65	-47.66
CCN(CC1CC1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091142	0	46	-1.0	-40.01	355.24	6.24	-33.77
CCCN1C=NC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091143	0	44	-1.0	-58.40	358.12	6.79	-51.61
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCOCC2CC2)CC1	REAL300008091144	0	45	-1.0	-48.89	360.46	5.26	-43.63
CC(COC1CCCC1)CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091145	0	54	-1.0	-50.71	409.52	7.34	-43.37
COCC(C)CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091146	0	44	-1.0	-51.38	342.91	4.25	-47.13
CCOCC(C)CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091147	0	47	-1.0	-51.35	364.77	5.23	-46.12
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1	REAL300008091148	0	46	-1.0	-55.59	369.18	4.00	-51.59
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091149	0	47	-1.0	-49.92	360.00	7.96	-41.96
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCCN2CCOCC2)CC1	REAL300008091150	0	50	-1.0	-49.04	384.98	3.00	-46.04
CCOC1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091151	0	45	-1.0	-44.11	359.77	6.11	-38.00
COCCN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091152	0	45	-1.0	-47.64	373.11	3.63	-44.01
CC(C)(C)CCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091153	0	46	-1.0	-49.43	349.53	6.13	-43.30
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)CC1	REAL300008091154	0	43	-1.0	-46.80	349.59	6.25	-40.55
CC1CCN(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C1	REAL300008091155	0	43	-1.0	-53.13	334.80	4.98	-48.15
COCC1=CC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091156	0	45	-1.0	-46.55	348.64	5.60	-40.95
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)CC1	REAL300008091157	0	41	-1.0	-47.07	352.43	4.87	-42.20
CSC1=CC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091158	0	42	-1.0	-44.81	336.11	6.55	-38.26
CCC1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091159	0	44	-1.0	-44.17	356.26	7.44	-36.73
CCC1=CC=C(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091160	0	47	-1.0	-57.86	377.45	8.19	-49.67
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2=CC=CS2)CC1	REAL300008091161	0	41	-1.0	-49.79	344.90	6.54	-43.25
CC1=CC=C(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1C	REAL300008091162	0	47	-1.0	-51.81	371.06	7.85	-43.96
CC(C)CN(C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091163	0	45	-1.0	-46.73	340.78	5.07	-41.66
CCN(C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091164	0	39	-1.0	-52.88	306.38	4.01	-48.87
CN(C1CCCC1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091165	0	46	-1.0	-41.88	350.43	5.86	-36.02
CCCN(C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091166	0	42	-1.0	-46.61	327.99	4.74	-41.87
CC1(C)CN(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CCO1	REAL300008091167	0	47	-1.0	-42.30	358.15	4.24	-38.06
CC1=NOC(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091168	0	40	-1.0	-54.76	330.10	4.82	-49.94
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091169	0	45	-1.0	-57.60	372.76	0.68	-56.92
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2CCCO2)CC1	REAL300008091170	0	45	-1.0	-43.32	350.22	4.71	-38.61
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1N(C)C	REAL300008091171	0	49	-1.0	-46.91	384.04	6.61	-40.30
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=C3OCCCN3N=C2)CC1	REAL300008091172	0	43	-1.0	-46.81	348.53	2.92	-43.89
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCOCC2CCCC2)CC1	REAL300008091173	0	51	-1.0	-48.65	393.64	6.40	-42.25
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091174	0	50	-1.0	-53.80	379.21	6.27	-47.53
COC(C)CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091175	0	41	-1.0	-51.45	325.07	3.86	-47.59
CN1N=CC2=CC(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)=CN=C21	REAL300008091176	0	43	-1.0	-55.65	355.16	5.18	-50.47
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN3CCCCC3=N2)CC1	REAL300008091177	0	45	-1.0	-53.23	354.73	6.00	-47.23
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=C1F	REAL300008091178	0	45	-1.0	-53.21	351.19	5.70	-47.51
CC1(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CCCCC1	REAL300008091179	0	50	-1.0	-49.24	358.79	7.47	-41.77
CN1N=NC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091180	0	37	-1.0	-53.58	304.25	2.24	-51.34
CC1=CC=C(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(F)=C1	REAL300008091181	0	44	-1.0	-44.61	358.93	7.34	-37.27
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091182	0	50	0.0	-66.95	391.73	7.92	-59.03
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=NO1	REAL300008091183	0	49	-1.0	-44.62	390.33	6.64	-37.98
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2CCC2)CC1	REAL300008091184	0	44	-1.0	-56.54	344.38	6.59	-49.95
CC(C)(C)CCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091185	0	49	-1.0	-50.06	371.49	6.90	-43.16
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300008091186	0	41	-1.0	-53.00	346.98	6.50	-46.50
CC1=C(CCS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)SC=N1	REAL300008091187	0	43	-1.0	-43.74	357.68	5.14	-38.60
COCC1(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CC1	REAL300008091188	0	42	-1.0	-47.79	335.23	5.29	-42.50
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC23CCC(CC2)C3)CC1	REAL300008091189	0	48	-1.0	-49.73	353.46	7.44	-42.29
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1	REAL300008091190	0	41	-1.0	-52.76	334.68	5.90	-46.86
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC23CCC(CC2)CC3)CC1	REAL300008091191	0	51	-1.0	-41.96	369.46	8.01	-33.95
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2CCOC2)CC1	REAL300008091192	0	45	-1.0	-44.62	353.85	4.58	-40.04
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CCCCC2(F)F)CC1	REAL300008091193	0	47	-1.0	-50.99	364.65	7.21	-43.78
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300008091194	0	45	-1.0	-56.12	361.50	8.16	-47.96
CN1C=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=N1	REAL300008091195	0	38	-1.0	-51.58	313.74	3.47	-48.11
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300008091196	0	38	-1.0	-43.03	330.09	6.53	-36.50
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300008091197	0	40	-1.0	-44.97	341.58	6.68	-38.29
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC1	REAL300008091198	0	44	-1.0	-44.42	354.35	8.17	-36.25
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300008091199	0	40	-1.0	-45.24	336.64	6.55	-38.69
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091200	0	43	-1.0	-50.32	346.21	7.07	-43.25
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091201	0	42	-1.0	-44.91	342.85	5.31	-39.60
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300008091202	0	40	-1.0	-61.39	328.37	7.76	-53.63
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091203	0	41	-1.0	-44.36	334.77	6.68	-37.68
CCOC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091204	0	45	-1.0	-44.74	364.71	6.23	-38.51
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1C	REAL300008091205	0	50	-1.0	-44.02	366.90	8.41	-35.61
CC1=CC(C)=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=C1	REAL300008091206	0	47	-1.0	-51.83	355.01	8.09	-43.74
CC1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091207	0	41	-1.0	-42.50	329.82	6.55	-35.95
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C=CC2=CC=CC=C2)CC1	REAL300008091208	0	42	-1.0	-43.13	340.32	7.07	-36.06
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)CC1	REAL300008091209	0	38	-1.0	-44.00	330.10	6.53	-37.47
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091210	0	43	-1.0	-47.27	356.11	6.51	-40.76
CC1=CC=C(C)C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091211	0	44	-1.0	-43.50	336.93	6.97	-36.53
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1C	REAL300008091212	0	44	-1.0	-47.62	347.84	7.16	-40.46
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=C1	REAL300008091213	0	44	-1.0	-43.53	336.90	6.97	-36.56
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091214	0	50	-1.0	-42.17	384.62	8.20	-33.97
CC(C)C1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091215	0	47	-1.0	-42.13	368.64	7.81	-34.32
CCCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091216	0	40	-1.0	-50.10	315.74	5.19	-44.91
CCCC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091217	0	47	-1.0	-43.85	377.75	8.23	-35.62
COC1=CC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091218	0	42	-1.0	-50.94	334.90	5.87	-45.07
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=CC=CC=C2)CC1	REAL300008091219	0	41	-1.0	-51.52	332.65	6.65	-44.87
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008091220	0	43	-1.0	-56.50	355.00	7.23	-49.27
CC1=NNC(C)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091221	0	41	-1.0	-53.63	325.16	3.83	-49.80
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300008091222	0	48	-1.0	-47.22	372.14	8.45	-38.77
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091223	0	46	-1.0	-50.76	362.97	5.07	-45.69
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1OC	REAL300008091224	0	46	-1.0	-54.87	369.52	5.25	-49.62
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)CC1	REAL300008091225	0	45	-1.0	-53.34	356.32	7.95	-45.39
CC1=NOC(C)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091226	0	40	-1.0	-45.82	321.66	4.88	-40.94
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300008091227	0	46	-1.0	-44.84	367.90	8.43	-36.41
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)CC1	REAL300008091228	0	43	-1.0	-47.82	345.34	5.81	-42.01
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CCCCCC2)CC1	REAL300008091229	0	46	-1.0	-41.70	344.86	6.07	-35.63
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)=C2N=C1	REAL300008091230	0	46	-1.0	-52.31	366.65	7.48	-44.83
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091231	0	42	-1.0	-41.71	347.73	6.27	-35.44
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CCCCC2)CC1	REAL300008091232	0	43	-1.0	-40.66	322.25	4.91	-35.75
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CCCC2)CC1	REAL300008091233	0	40	-1.0	-48.38	315.83	4.35	-44.03
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)CC1	REAL300008091234	0	47	-1.0	-43.19	368.48	7.30	-35.89
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300008091235	0	46	-1.0	-51.06	361.30	7.25	-43.81
CC1CCN(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CC1	REAL300008091236	0	46	-1.0	-41.45	350.71	5.78	-35.67
CC1CC(C)CN(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C1	REAL300008091237	0	49	-1.0	-41.45	367.10	6.53	-34.92
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300008091238	0	44	-1.0	-45.65	344.77	8.26	-37.39
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091239	0	41	-1.0	-46.89	321.68	6.34	-40.55
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)CC1	REAL300008091240	0	39	-1.0	-54.26	334.12	4.43	-49.83
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091241	0	42	-1.0	-48.49	350.19	6.27	-42.22
COC1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091242	0	42	-1.0	-44.18	337.91	5.18	-39.00
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1Cl	REAL300008091243	0	41	-1.0	-46.57	344.89	7.08	-39.49
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091244	0	48	-1.0	-43.15	377.69	6.73	-36.42
CCC1=CC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091245	0	44	-1.0	-49.06	338.07	7.66	-41.40
CC1=CC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091246	0	41	-1.0	-43.33	316.87	6.32	-37.01
CC1=NC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CN1C	REAL300008091247	0	41	-1.0	-52.96	332.42	4.83	-48.13
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CC1	REAL300008091248	0	41	-1.0	-51.84	349.91	7.18	-44.66
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=NON=C32)CC1	REAL300008091249	0	39	-1.0	-51.33	327.03	4.77	-46.56
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CC1	REAL300008091250	0	43	-1.0	-55.06	346.39	7.09	-47.97
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1F	REAL300008091251	0	42	-1.0	-48.83	345.14	5.33	-43.50
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1F	REAL300008091252	0	41	-1.0	-46.88	336.15	6.66	-40.22
CC1=CC=C(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091253	0	44	-1.0	-42.85	353.61	7.30	-35.55
CN1C=NC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091254	0	38	-1.0	-52.77	312.90	5.03	-47.74
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300008091255	0	37	-1.0	-43.57	303.39	4.11	-39.46
CC1CCCCN1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091256	0	46	-1.0	-52.92	337.32	5.73	-47.19
CC(C)N(C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091257	0	42	-1.0	-46.73	322.97	4.46	-42.27
CCCN(CCC)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091258	0	48	-1.0	-46.88	369.06	6.30	-40.58
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091259	0	43	-1.0	-45.92	343.56	6.98	-38.94
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091260	0	43	-1.0	-47.18	337.11	6.76	-40.42
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091261	0	50	-1.0	-43.77	394.51	8.69	-35.08
COCCC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091262	0	48	-1.0	-42.91	384.98	6.39	-36.52
COCCN(CCOC)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091263	0	50	-1.0	-46.39	386.76	3.21	-43.18
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091264	0	41	-1.0	-46.88	332.06	6.83	-40.05
COC1=C(C)C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1C	REAL300008091265	0	48	-1.0	-47.01	380.72	6.75	-40.26
CCCOC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091266	0	48	-1.0	-44.46	386.20	7.03	-37.43
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1Cl	REAL300008091267	0	42	-1.0	-53.80	356.33	5.90	-47.90
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1C	REAL300008091268	0	45	-1.0	-47.51	359.00	6.00	-41.51
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=C1	REAL300008091269	0	45	-1.0	-44.50	345.00	5.61	-38.89
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=CC=CC=C2F)CC1	REAL300008091270	0	41	-1.0	-46.73	342.48	6.81	-39.92
CC1=NC(C)=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)S1	REAL300008091271	0	40	-1.0	-47.38	336.67	4.40	-42.98
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CSC3=CC=CC=C23)CC1	REAL300008091272	0	41	-1.0	-44.75	341.49	7.11	-37.64
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CCCC2)CC1	REAL300008091273	0	44	-1.0	-42.36	340.50	6.48	-35.88
COC1=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CC=C1F	REAL300008091274	0	42	-1.0	-46.92	345.13	5.34	-41.58
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CSC=C2)CC1	REAL300008091275	0	35	-1.0	-46.30	300.53	4.85	-41.45
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CCCCC2)CC1	REAL300008091276	0	47	-1.0	-42.24	356.11	7.16	-35.08
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091277	0	46	-1.0	-54.79	367.62	7.74	-47.05
CNC(=O)C1=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CN1C	REAL300008091278	0	46	-1.0	-57.61	374.70	3.70	-53.91
COC1=CC(C)=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=C1	REAL300008091279	0	48	-1.0	-52.17	363.00	6.71	-45.46
COC1=CC(C)=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1C	REAL300008091280	0	48	-1.0	-43.43	363.27	6.26	-37.17
CC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300008091281	0	46	-1.0	-53.75	355.25	7.15	-46.60
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300008091282	0	43	-1.0	-50.72	341.28	6.54	-44.18
CCN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300008091283	0	43	-1.0	-42.00	355.42	6.53	-35.47
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091284	0	46	-1.0	-60.56	373.90	7.31	-53.25
CN(C1CC1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091285	0	40	-1.0	-41.98	317.07	4.61	-37.37
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)CC1	REAL300008091286	0	41	-1.0	-63.04	338.73	5.17	-57.87
CC1=CC=CC(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091287	0	44	-1.0	-42.94	353.62	7.30	-35.64
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=CC=CC(F)=C2)CC1	REAL300008091288	0	41	-1.0	-58.83	340.97	6.82	-52.01
CC1=CC=CC=C1CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091289	0	44	-1.0	-42.45	348.01	7.20	-35.25
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091290	0	48	-1.0	-50.71	377.96	7.44	-43.27
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300008091291	0	45	-1.0	-55.66	371.37	7.16	-48.50
COCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091292	0	38	-1.0	-48.46	306.47	2.71	-45.75
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CC1	REAL300008091293	0	48	-1.0	-46.88	356.72	8.14	-38.74
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3COCC3=C2)CC1	REAL300008091294	0	43	-1.0	-47.62	345.40	5.25	-42.37
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300008091295	0	46	-1.0	-50.47	377.06	7.31	-43.16
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1	REAL300008091296	0	44	-1.0	-59.66	350.12	2.24	-57.42
CCOC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=C1	REAL300008091297	0	48	-1.0	-44.41	366.86	6.53	-37.88
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300008091298	0	42	-1.0	-52.85	344.58	6.13	-46.72
CSC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091299	0	42	-1.0	-44.53	353.56	7.03	-37.50
CCCCCCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091300	0	49	-1.0	-50.09	380.24	7.53	-42.56
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091301	0	49	-1.0	-55.07	384.21	7.98	-47.09
CCN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)N=C1C	REAL300008091302	0	44	-1.0	-51.13	357.51	5.78	-45.35
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)CC1	REAL300008091303	0	44	-1.0	-52.30	346.84	5.55	-46.75
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C23)CC1	REAL300008091304	0	43	-1.0	-44.47	339.87	6.38	-38.09
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CCCO2)CC1	REAL300008091305	0	42	-1.0	-53.52	328.31	4.27	-49.25
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CCCCO2)CC1	REAL300008091306	0	45	-1.0	-50.15	350.36	5.03	-45.12
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CC2)CC1	REAL300008091307	0	38	-1.0	-50.26	304.34	5.19	-45.07
COCC1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091308	0	45	-1.0	-43.30	363.48	5.60	-37.70
CCN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091309	0	41	-1.0	-55.50	336.88	4.60	-50.90
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=CC=CC=C2Cl)CC1	REAL300008091310	0	41	-1.0	-45.37	350.63	7.21	-38.16
CC(C1CC1)N(C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091311	0	46	-1.0	-42.15	353.02	5.83	-36.32
CN1N=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091312	0	38	-1.0	-43.36	309.38	3.43	-39.93
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CCOC2)CC1	REAL300008091313	0	42	-1.0	-51.81	327.20	3.79	-48.02
CC1CC2=CC(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)=CC=C2O1	REAL300008091314	0	46	-1.0	-53.49	367.87	6.66	-46.83
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091315	0	50	-1.0	-51.13	360.80	8.54	-42.59
CCCCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091316	0	43	-1.0	-50.08	337.24	5.97	-44.11
COCCN(C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091317	0	43	-1.0	-46.24	336.48	3.16	-43.08
CN(CC1CC1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091318	0	43	-1.0	-53.83	341.81	5.67	-48.16
CC1=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C(C)O1	REAL300008091319	0	41	-1.0	-47.96	327.20	5.36	-42.60
CC1=CSC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091320	0	38	-1.0	-49.54	325.96	5.67	-43.87
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300008091321	0	41	-1.0	-54.83	340.58	6.42	-48.41
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)CC1	REAL300008091322	0	41	-1.0	-54.21	336.85	4.70	-49.51
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091323	0	41	-1.0	-45.16	340.53	2.70	-42.46
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CO2)CC1	REAL300008091324	0	35	-1.0	-47.06	291.63	3.96	-43.10
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN=C3CCCN23)CC1	REAL300008091325	0	42	-1.0	-49.71	336.88	5.37	-44.34
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=COC=C2)CC1	REAL300008091326	0	35	-1.0	-54.05	293.33	3.92	-50.13
CC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)SC=C1	REAL300008091327	0	38	-1.0	-44.07	320.18	5.59	-38.48
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)CC1	REAL300008091328	0	46	-1.0	-53.70	364.50	6.67	-47.03
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)CC1	REAL300008091329	0	45	-1.0	-49.89	354.18	7.76	-42.13
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2CCOC2)CC1	REAL300008091330	0	39	-1.0	-49.34	307.64	3.10	-46.24
C=CCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091331	0	38	-1.0	-49.84	307.06	4.97	-44.87
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CNC=N2)CC1	REAL300008091332	0	35	-1.0	-52.36	290.25	3.35	-49.01
CC1=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008091333	0	43	-1.0	-46.44	353.62	7.15	-39.29
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCCF)CC1	REAL300008091334	0	37	-1.0	-52.41	300.83	4.54	-47.87
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCCCF)CC1	REAL300008091335	0	40	-1.0	-51.13	322.33	5.33	-45.80
CC1=NN(C)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091336	0	41	-1.0	-54.21	325.65	4.02	-50.19
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)O1	REAL300008091337	0	38	-1.0	-46.92	313.55	4.77	-42.15
CC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)N(C)N=C1	REAL300008091338	0	41	-1.0	-45.06	325.78	4.37	-40.69
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)CC1	REAL300008091339	0	40	-1.0	-53.79	342.80	5.53	-48.26
CN(C)C1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091340	0	46	-1.0	-43.88	359.50	6.27	-37.61
C=C(C)CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091341	0	38	-1.0	-49.91	307.07	4.84	-45.07
CC1=CC2=CC=C(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)C=C2C=C1	REAL300008091342	0	47	-1.0	-53.93	378.10	8.98	-44.95
COC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)SC=C1	REAL300008091343	0	39	-1.0	-50.23	329.24	4.97	-45.26
C=CCCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091344	0	41	-1.0	-50.04	328.61	5.77	-44.27
CN(C)C1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091345	0	46	-1.0	-45.83	365.88	6.43	-39.40
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CCC2)CC1	REAL300008091346	0	41	-1.0	-40.88	320.47	5.68	-35.20
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)CC1	REAL300008091347	0	43	-1.0	-50.14	344.02	5.81	-44.33
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)CC1	REAL300008091348	0	43	-1.0	-63.39	357.91	6.09	-57.30
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)CC1	REAL300008091349	0	43	-1.0	-48.97	345.22	5.79	-43.18
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)CC1	REAL300008091350	0	44	-1.0	-50.52	371.41	7.97	-42.55
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091351	0	46	-1.0	-52.97	362.87	6.42	-46.55
COC1=CC=C(CCS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091352	0	48	-1.0	-58.19	385.57	6.83	-51.36
COC1=CN=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091353	0	41	-1.0	-45.97	337.93	3.49	-42.48
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)S1	REAL300008091354	0	47	-1.0	-44.06	386.38	7.67	-36.39
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)CC1	REAL300008091355	0	45	-1.0	-52.94	360.01	8.14	-44.80
COC1=CC(OC)=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091356	0	46	-1.0	-49.04	368.42	4.56	-44.48
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2CCCCC2)CC1	REAL300008091357	0	50	-1.0	-49.98	374.93	7.61	-42.37
CC1=CC=C(CCS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091358	0	47	-1.0	-50.27	375.56	8.11	-42.16
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1)OCO2	REAL300008091359	0	44	-1.0	-51.69	342.73	5.01	-46.68
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CC1	REAL300008091360	0	41	-1.0	-47.79	337.92	6.31	-41.48
COC1=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CC=C1Cl	REAL300008091361	0	42	-1.0	-46.34	354.94	5.82	-40.52
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2CCCC2)CC1	REAL300008091362	0	47	-1.0	-56.57	360.89	7.15	-49.42
CN1C=NC2=CC(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)=CC=C21	REAL300008091363	0	44	-1.0	-59.63	359.07	7.39	-52.24
CC1(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CC1	REAL300008091364	0	38	-1.0	-49.48	302.94	5.38	-44.10
CC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008091365	0	46	-1.0	-53.86	359.19	7.50	-46.36
CC1=NC2=CC=C(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)C=C2O1	REAL300008091366	0	43	-1.0	-49.11	353.06	3.61	-45.50
CCC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1CC	REAL300008091367	0	50	-1.0	-52.98	387.95	8.62	-44.36
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091368	0	48	-1.0	-44.51	367.47	7.43	-37.08
CC1=C(C)SC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091369	0	41	-1.0	-50.03	346.03	6.43	-43.60
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091370	0	39	-1.0	-42.79	328.31	3.91	-38.88
CC1=NC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)S1	REAL300008091371	0	37	-1.0	-50.81	320.92	3.84	-46.97
CCC1=NC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)S1	REAL300008091372	0	40	-1.0	-50.54	342.40	4.59	-45.95
CC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(N)=NO1	REAL300008091373	0	39	-1.0	-45.55	315.66	3.28	-42.27
CN(C)C1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091374	0	45	-1.0	-45.11	356.79	5.75	-39.36
CC1=CC(C)=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)S1	REAL300008091375	0	41	-1.0	-50.04	341.07	6.45	-43.59
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)CC1	REAL300008091376	0	41	-1.0	-48.02	335.85	4.64	-43.38
CC1=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CC(C)=C1F	REAL300008091377	0	44	-1.0	-51.85	357.84	7.38	-44.47
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)CC1	REAL300008091378	0	42	-1.0	-50.53	341.62	5.79	-44.74
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300008091379	0	40	-1.0	-51.85	338.43	5.46	-46.39
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091380	0	40	-1.0	-45.55	329.96	4.83	-40.72
CC1=NC(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CS1	REAL300008091381	0	40	-1.0	-53.52	339.74	4.35	-49.17
COC(CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1)C1CC1	REAL300008091382	0	45	-1.0	-43.50	354.93	5.71	-37.79
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)CC1	REAL300008091383	0	41	-1.0	-51.19	349.90	7.19	-44.00
CC1=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CC=C1Cl	REAL300008091384	0	41	-1.0	-51.78	346.28	7.13	-44.65
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC1	REAL300008091385	0	44	-1.0	-48.54	356.51	6.88	-41.66
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)CC1	REAL300008091386	0	46	-1.0	-45.28	355.21	7.16	-38.12
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300008091387	0	41	-1.0	-42.06	352.19	7.13	-34.93
CCC1(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CC1	REAL300008091388	0	41	-1.0	-46.16	305.15	5.86	-40.30
COC(CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1)C1CCCC1	REAL300008091389	0	51	-1.0	-49.17	381.81	6.37	-42.80
COC(CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1)C1CCCCC1	REAL300008091390	0	54	-1.0	-49.86	402.27	6.78	-43.08
CC1(C)CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CO1	REAL300008091391	0	45	-1.0	-55.56	350.06	4.59	-50.97
CCOC(CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1)C1CC1	REAL300008091392	0	48	-1.0	-42.19	372.93	6.39	-35.80
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)CC1	REAL300008091393	0	41	-1.0	-44.51	351.68	5.49	-39.02
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091394	0	45	-1.0	-45.40	353.40	5.77	-39.63
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=N1	REAL300008091395	0	40	-1.0	-54.19	333.41	4.79	-49.40
CC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300008091396	0	47	-1.0	-49.25	358.78	8.96	-40.29
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091397	0	47	-1.0	-52.85	379.97	4.59	-48.26
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091398	0	42	-1.0	-46.84	340.73	6.07	-40.77
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091399	0	48	-1.0	-45.76	367.14	5.98	-39.78
CN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300008091400	0	50	-1.0	-47.98	381.78	6.31	-41.67
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)CC1	REAL300008091401	0	48	-1.0	-44.53	375.89	6.24	-38.29
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091402	0	45	-1.0	-44.29	366.78	6.06	-38.23
C=CCCC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1	REAL300008091403	0	48	-1.0	-42.10	385.61	8.66	-33.44
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091404	0	44	-1.0	-53.99	348.47	4.72	-49.27
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)CC1	REAL300008091405	0	42	-1.0	-47.25	357.59	7.66	-39.59
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091406	0	44	-1.0	-44.16	348.94	7.85	-36.31
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCCC2CC2)CC1	REAL300008091407	0	44	-1.0	-42.01	348.37	6.77	-35.24
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)CC1	REAL300008091408	0	42	-1.0	-48.55	355.10	7.57	-40.98
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091409	0	47	-1.0	-48.42	362.13	8.38	-40.04
COC1=NC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091410	0	41	-1.0	-47.04	332.21	3.26	-43.78
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)CC1	REAL300008091411	0	43	-1.0	-45.30	339.88	6.47	-38.83
CC1=NC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)N1C	REAL300008091412	0	41	-1.0	-48.16	328.11	5.00	-43.16
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC=N2)CC1	REAL300008091413	0	37	-1.0	-49.44	304.78	4.07	-45.37
CC1=CSC(C)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091414	0	41	-1.0	-45.10	327.13	6.37	-38.73
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)CC1	REAL300008091415	0	45	-1.0	-45.11	358.31	5.57	-39.54
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=NN2C2CCC2)CC1	REAL300008091416	0	45	-1.0	-43.27	356.29	5.71	-37.56
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)CC1	REAL300008091417	0	48	-1.0	-49.78	377.73	6.42	-43.36
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN=C3CCCCN23)CC1	REAL300008091418	0	45	-1.0	-54.10	352.32	6.16	-47.94
CC1CC2=CC=CC(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)=C2O1	REAL300008091419	0	46	-1.0	-51.54	365.83	6.65	-44.89
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)S1	REAL300008091420	0	46	-1.0	-44.34	380.60	5.65	-38.69
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091421	0	43	-1.0	-61.65	351.48	5.64	-56.01
CCN1N=NC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091422	0	40	-1.0	-47.13	324.42	3.27	-43.86
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1	REAL300008091423	0	47	-1.0	-41.59	355.87	5.87	-35.72
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)CC1	REAL300008091424	0	39	-1.0	-45.98	324.30	4.74	-41.24
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300008091425	0	41	-1.0	-52.33	351.24	7.45	-44.88
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091426	0	45	-1.0	-45.23	359.87	5.73	-39.50
CC1=CC(C)=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=C1F	REAL300008091427	0	47	-1.0	-45.56	358.15	7.98	-37.58
COC1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1OC	REAL300008091428	0	46	-1.0	-48.02	363.67	5.81	-42.21
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=COC3=CC=CC=C23)CC1	REAL300008091429	0	41	-1.0	-52.91	337.92	6.15	-46.76
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091430	0	50	-1.0	-54.46	387.92	6.59	-47.87
CCCCN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=N1	REAL300008091431	0	50	-1.0	-54.53	394.55	6.62	-47.91
CN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300008091432	0	45	-1.0	-55.03	361.68	5.78	-49.25
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)CC1	REAL300008091433	0	42	-1.0	-45.02	347.65	5.46	-39.56
CN1N=NC2=C(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)C=CC=C21	REAL300008091434	0	43	-1.0	-60.74	354.32	4.50	-56.24
CC1(C)CCCN(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C1	REAL300008091435	0	49	-1.0	-47.54	368.48	6.48	-41.06
CN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C2CCC2)=N1	REAL300008091436	0	48	-1.0	-48.03	374.63	5.99	-42.04
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)CC1	REAL300008091437	0	48	-1.0	-49.52	383.37	6.60	-42.92
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)CC1	REAL300008091438	0	42	-1.0	-48.76	348.69	7.06	-41.70
CCCC1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091439	0	47	-1.0	-42.11	372.80	8.09	-34.02
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091440	0	45	-1.0	-46.92	354.10	5.53	-41.39
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)CC1	REAL300008091441	0	44	-1.0	-53.22	339.18	5.53	-47.69
CC1=CC=CC(C)=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091442	0	44	-1.0	-41.54	328.47	7.22	-34.32
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091443	0	47	-1.0	-43.57	357.04	5.58	-37.99
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091444	0	47	-1.0	-54.77	375.31	5.75	-49.02
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CNN=C2C2CCC2)CC1	REAL300008091445	0	45	-1.0	-46.90	351.66	4.68	-42.22
CC1=NN(C)C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091446	0	41	-1.0	-50.30	330.38	4.10	-46.20
CC1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1C	REAL300008091447	0	44	-1.0	-49.48	332.67	6.88	-42.60
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)CC1	REAL300008091448	0	49	-1.0	-47.94	378.09	9.02	-38.92
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)CC1	REAL300008091449	0	44	-1.0	-46.81	351.82	6.39	-40.42
CN(C1CCC1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091450	0	43	-1.0	-40.38	328.62	5.01	-35.37
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2=NOC3=C2COCC3)CC1	REAL300008091451	0	45	-1.0	-47.62	366.47	4.41	-43.21
O=C([O-])C1(CC(F)F)CCN(C(=O)N2CCC(F)(F)CC2)CC1	REAL300008091452	0	42	-1.0	-46.52	316.32	7.67	-38.85
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)CC1	REAL300008091453	0	45	-1.0	-42.64	357.62	7.99	-34.65
COC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=CS1	REAL300008091454	0	39	-1.0	-42.32	327.47	4.42	-37.90
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)CC1	REAL300008091455	0	48	-1.0	-43.24	373.80	6.41	-36.83
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091456	0	47	-1.0	-49.78	369.37	5.71	-44.07
CN(C(C)(C)C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091457	0	45	-1.0	-40.02	325.12	4.75	-35.27
CCC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)O1	REAL300008091458	0	41	-1.0	-47.56	334.98	5.53	-42.03
CN(C1CCCCCC1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091459	0	52	-1.0	-39.98	374.41	6.70	-33.28
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091460	0	44	-1.0	-41.62	361.62	7.41	-34.21
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)CC1	REAL300008091461	0	42	-1.0	-44.94	347.67	5.46	-39.48
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)S1	REAL300008091462	0	39	-1.0	-50.17	336.17	4.46	-45.71
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN(CCF)N=C2)CC1	REAL300008091463	0	41	-1.0	-44.83	341.08	4.59	-40.24
CCOCC1=CC=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091464	0	48	-1.0	-43.25	385.34	6.57	-36.68
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC=C2CF)CC1	REAL300008091465	0	41	-1.0	-50.61	331.46	7.10	-43.51
CC1=CN=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091466	0	40	-1.0	-45.11	329.80	4.87	-40.24
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008091467	0	47	-1.0	-46.45	363.96	8.83	-37.62
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CC3CC2C3)CC1	REAL300008091468	0	41	-1.0	-41.64	320.13	4.78	-36.86
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CC1	REAL300008091469	0	42	-1.0	-43.81	348.20	7.17	-36.64
CCOCCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091470	0	44	-1.0	-52.03	349.77	4.44	-47.59
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCC2NC(=O)NC2=O)CC1	REAL300008091471	0	43	-1.0	-47.60	351.65	-0.14	-47.74
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)CC1	REAL300008091472	0	41	-1.0	-58.57	335.30	6.24	-52.33
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2CCC(F)(F)CC2)CC1	REAL300008091473	0	44	-1.0	-58.78	344.65	6.44	-52.34
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)CC1	REAL300008091474	0	40	-1.0	-45.64	339.35	5.28	-40.36
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCOC2CCOC2)CC1	REAL300008091475	0	46	-1.0	-57.17	365.63	3.23	-53.94
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2COCCO2)CC1	REAL300008091476	0	43	-1.0	-45.29	342.21	3.23	-42.06
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CCN2C=NN=N2)CC1	REAL300008091477	0	39	-1.0	-58.65	326.07	3.89	-54.76
CC1(C)COC(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C1	REAL300008091478	0	48	-1.0	-44.58	372.40	5.26	-39.32
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2CS(=O)(=O)C2)CC1	REAL300008091479	0	41	-1.0	-66.03	341.80	1.71	-64.32
CC(C)(CS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1)C(C)(F)F	REAL300008091480	0	46	-1.0	-47.91	347.94	6.43	-41.48
CS(=O)(=O)CCCCS(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091481	0	46	-1.0	-60.52	379.38	2.74	-57.78
CC1(C)CCC(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)OC1	REAL300008091482	0	51	-1.0	-49.92	387.14	6.14	-43.78
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	REAL300008091483	0	48	-1.0	-57.37	384.10	8.40	-48.97
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CC1	REAL300008091484	0	47	-1.0	-46.19	363.99	3.55	-42.64
COCCC1(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CC1	REAL300008091485	0	45	-1.0	-41.06	339.24	4.97	-36.09
CCN1N=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=N1	REAL300008091486	0	40	-1.0	-47.74	329.60	2.79	-44.95
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	REAL300008091487	0	51	-1.0	-47.94	381.61	8.11	-39.83
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)CC1	REAL300008091488	0	42	-1.0	-50.13	356.19	7.33	-42.80
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091489	0	43	-1.0	-44.29	335.70	2.70	-41.59
CC1=COC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091490	0	38	-1.0	-47.47	313.48	4.61	-42.86
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)O1	REAL300008091491	0	38	-1.0	-46.92	313.55	4.77	-42.15
CCC1=NNC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091492	0	41	-1.0	-52.86	325.74	3.39	-49.47
COC1=CSC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1OC	REAL300008091493	0	43	-1.0	-43.68	359.49	4.41	-39.27
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	REAL300008091494	0	50	-1.0	-41.61	372.19	6.44	-35.17
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091495	0	49	-1.0	-47.87	387.91	7.77	-40.10
COC1=CC(F)=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(F)=C1	REAL300008091496	0	42	-1.0	-43.13	346.39	5.46	-37.67
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091497	0	44	-1.0	-48.77	353.16	5.83	-42.94
CN1C=CC2=CC(S(=O)(=O)N3CCC(CC(F)F)(C(=O)[O-])CC3)=CC=C21	REAL300008091498	0	45	-1.0	-50.51	363.13	7.71	-42.80
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091499	0	44	-1.0	-53.69	344.31	7.71	-45.98
CCN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300008091500	0	48	-1.0	-49.01	381.87	6.55	-42.46
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=C(Cl)OC=C2)CC1	REAL300008091501	0	35	-1.0	-44.31	303.33	4.22	-40.09
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC(Cl)=CS2)CC1	REAL300008091502	0	35	-1.0	-41.91	320.74	5.50	-36.41
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091503	0	46	-1.0	-45.37	358.25	3.62	-41.75
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)CC1	REAL300008091504	0	45	-1.0	-44.54	349.70	8.07	-36.47
CC1(C)CCN(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CC1	REAL300008091505	0	49	-1.0	-40.92	356.51	5.78	-35.14
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091506	0	41	-1.0	-49.95	349.43	3.75	-46.20
COC1=NC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=C1C	REAL300008091507	0	44	-1.0	-52.85	358.12	3.46	-49.39
CC(C)CN1C=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=N1	REAL300008091508	0	47	-1.0	-49.19	372.36	6.12	-43.07
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091509	0	47	-1.0	-47.12	365.95	5.43	-41.69
COCC1=CC(CS(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=NO1	REAL300008091510	0	44	-1.0	-60.81	365.15	3.91	-56.90
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)N=C1	REAL300008091511	0	49	-1.0	-48.17	381.28	6.33	-41.84
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091512	0	44	-1.0	-43.22	350.68	5.06	-38.16
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=NN2CC2CC2)CC1	REAL300008091513	0	45	-1.0	-45.37	357.34	6.15	-39.22
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CC1	REAL300008091514	0	45	-1.0	-46.17	363.52	6.86	-39.31
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)CC1	REAL300008091515	0	40	-1.0	-47.40	342.03	5.00	-42.40
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CCC3=CC=CN=C32)CC1	REAL300008091516	0	43	-1.0	-53.13	346.33	6.39	-46.74
CC1=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C=NN1C(C)C	REAL300008091517	0	47	-1.0	-46.61	365.36	5.50	-41.11
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)CC1	REAL300008091518	0	43	-1.0	-51.17	342.09	6.30	-44.87
CC1=CN=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C(C)=C1	REAL300008091519	0	43	-1.0	-46.92	340.44	5.38	-41.54
CC1=CN=CC=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091520	0	40	-1.0	-43.30	311.26	4.53	-38.77
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CC3CCC(C2)O3)CC1	REAL300008091521	0	45	-1.0	-43.16	343.62	4.06	-39.10
N#CC1CCN(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)CC1	REAL300008091522	0	44	-1.0	-44.23	350.02	5.45	-38.78
COC1=CC=NC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=C1	REAL300008091523	0	41	-1.0	-49.26	334.53	3.38	-45.88
C=CCN(CC=C)S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091524	0	44	-1.0	-46.45	352.62	5.98	-40.47
COC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)N=C1	REAL300008091525	0	41	-1.0	-52.98	337.84	3.39	-49.59
CC1=CC=CN=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091526	0	40	-1.0	-49.25	315.56	4.64	-44.61
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)CC1	REAL300008091527	0	43	-1.0	-50.74	341.90	6.40	-44.34
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(CC(F)F)(C(=O)[O-])CC1	REAL300008091528	0	44	-1.0	-53.24	353.79	5.23	-48.01
CC1=CC=C(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300008091529	0	46	-1.0	-53.64	362.99	7.35	-46.29
CC1=CC(S(=O)(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)=CC=N1	REAL300008091530	0	40	-1.0	-46.72	326.22	4.80	-41.92
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CNC3=CC=CC=C23)CC1	REAL300008091531	0	42	-1.0	-54.44	341.53	5.80	-48.64
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)N2CCC(F)(F)C2)CC1	REAL300008091532	0	40	-1.0	-43.56	325.35	4.37	-39.19
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CN=CS2)CC1	REAL300008091533	0	34	-1.0	-44.24	299.96	3.13	-41.11
O=C([O-])C1(CC(F)F)CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)CC1	REAL300008091534	0	40	-1.0	-49.83	337.24	4.92	-44.91
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008091535	0	43	-1.0	-54.83	335.38	6.05	-48.78
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008091536	0	44	-1.0	-54.61	341.09	4.97	-49.64
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008091537	0	43	-1.0	-51.66	336.73	5.68	-45.98
CCC(C)(CC)CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008091538	0	37	-1.0	-46.40	303.86	4.93	-41.47
CCC(C)(CC)CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008091539	0	40	-1.0	-50.65	325.25	3.27	-47.38
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008091540	0	37	-1.0	-46.48	312.96	4.28	-42.20
CCC(C)(CC)CNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008091541	0	45	-1.0	-48.32	338.07	4.27	-44.05
CCC(C)(CC)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008091542	0	45	-1.0	-50.43	337.73	4.28	-46.15
CCC(C)(CC)CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008091543	0	40	-1.0	-43.47	326.82	6.54	-36.93
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008091544	0	40	-1.0	-48.72	323.68	3.98	-44.74
CCC(C)(CC)CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008091545	0	43	-1.0	-56.79	344.48	5.86	-50.93
CCC(C)(CC)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008091546	0	45	-1.0	-50.43	337.73	4.28	-46.15
CCC(C)(CC)CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008091547	0	43	-1.0	-58.30	344.48	5.85	-52.45
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008091548	0	44	-1.0	-47.49	351.79	5.42	-42.07
CCC(C)(CC)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300008091549	0	44	-1.0	-44.84	359.70	6.11	-38.73
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008091550	0	37	-1.0	-48.74	313.89	4.17	-44.57
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008091551	0	46	-1.0	-55.84	352.27	6.58	-49.26
CCC(C)(CC)CNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008091552	0	43	-1.0	-54.06	338.05	6.33	-47.73
CCC(C)(CC)CNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008091553	0	47	-1.0	-52.60	375.77	4.86	-47.74
CCC(C)(CC)CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008091554	0	37	-1.0	-50.39	312.36	4.17	-46.22
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008091555	0	43	-1.0	-41.95	348.78	7.02	-34.93
CCC(C)(CC)CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008091556	0	43	-1.0	-48.00	330.67	5.84	-42.16
CCC(C)(CC)CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008091557	0	43	-1.0	-52.02	348.24	7.47	-44.55
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008091558	0	43	-1.0	-47.97	342.87	5.92	-42.05
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300008091559	0	45	-1.0	-41.78	358.95	6.17	-35.61
CCC(C)(CC)CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008091560	0	43	-1.0	-51.06	342.87	5.91	-45.15
CCC(C)(CC)CNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008091561	0	40	-1.0	-51.95	325.43	4.24	-47.71
CCC(C)(CC)CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008091562	0	39	-1.0	-46.25	315.87	3.33	-42.92
CCC(C)(CC)CNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008091563	0	36	-1.0	-50.11	298.18	3.42	-46.69
CCC(C)(CC)CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008091564	0	36	-1.0	-54.04	302.26	2.86	-51.18
CCC(C)(CC)CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008091565	0	39	-1.0	-52.89	306.90	4.23	-48.66
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008091566	0	39	-1.0	-49.75	316.56	3.35	-46.40
CCC(C)(CC)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008091567	0	40	-1.0	-46.76	337.42	5.64	-41.12
CCC(C)(CC)CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008091568	0	40	-1.0	-46.67	341.98	5.75	-40.92
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008091569	0	44	-1.0	-57.30	347.99	5.20	-52.10
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008091570	0	43	-1.0	-47.16	336.71	5.68	-41.48
CCC(C)(CC)CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008091571	0	45	-1.0	-51.52	353.44	5.56	-45.96
CCC(C)(CC)CNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008091572	0	47	-1.0	-52.60	375.77	4.86	-47.74
CCC(C)(CC)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008091573	0	40	-1.0	-46.76	337.42	5.64	-41.12
CCC(C)(CC)CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008091574	0	40	-1.0	-50.36	320.81	5.65	-44.71
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008091575	0	43	-1.0	-49.18	349.14	6.48	-42.70
CCC(C)(CC)CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008091576	0	46	-1.0	-50.39	367.65	6.47	-43.92
CCC(C)(CC)CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008091577	0	43	-1.0	-56.79	344.48	5.86	-50.93
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008091578	0	44	-1.0	-54.61	341.09	4.97	-49.64
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008091579	0	43	-1.0	-51.66	336.73	5.68	-45.98
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008091580	0	43	-1.0	-54.83	335.38	6.05	-48.78
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300008091581	0	44	-1.0	-44.96	354.97	5.17	-39.79
CCC(C)(CC)CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008091582	0	43	-1.0	-51.06	342.87	5.91	-45.15
CCC(C)(CC)CNS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300008091583	0	41	-1.0	-46.66	337.84	3.39	-43.27
CCC(C)(CC)CNS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300008091584	0	43	-1.0	-46.78	358.54	6.30	-40.48
CCC(C)(CC)CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008091585	0	45	-1.0	-49.33	357.51	5.81	-43.52
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008091586	0	43	-1.0	-46.43	350.82	5.96	-40.47
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008091587	0	47	-1.0	-49.26	364.68	6.97	-42.29
CCC1=C(S(=O)(=O)NCC(C)(CC)CC)C=C(C(=O)[O-])O1	REAL300008091588	0	43	-1.0	-51.59	345.06	5.06	-46.53
CCC(C)(CC)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008091589	0	42	-1.0	-43.57	338.25	6.69	-36.88
CCC(C)(CC)CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008091590	0	43	-1.0	-49.89	358.57	6.63	-43.26
CCC(C)(CC)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008091591	0	42	-1.0	-38.73	338.23	6.69	-32.04
CCC(C)(CC)CNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008091592	0	42	-1.0	-45.32	332.15	3.85	-41.47
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008091593	0	44	-1.0	-47.82	341.12	4.97	-42.85
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008091594	0	44	-1.0	-53.01	347.97	5.22	-47.79
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300008091595	0	47	-1.0	-56.88	362.82	5.66	-51.22
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008091596	0	43	-1.0	-49.98	348.28	5.97	-44.01
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008091597	0	43	-1.0	-44.92	359.40	6.14	-38.78
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008091598	0	49	-1.0	-49.06	373.86	6.78	-42.28
CCC(C)(CC)CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008091599	0	40	-1.0	-50.43	312.60	3.46	-46.97
CCC(C)(CC)CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008091600	0	46	-1.0	-49.79	356.95	7.37	-42.42
CCC(C)(CC)CNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008091601	0	40	-1.0	-49.46	323.41	4.11	-45.35
CCC(C)(CC)CNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008091602	0	40	-1.0	-43.38	331.39	6.65	-36.73
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008091603	0	40	-1.0	-49.53	333.22	5.53	-44.00
CCC(C)(CC)CNS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300008091604	0	44	-1.0	-48.29	339.48	5.32	-42.97
CCC(C)(CC)CNS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300008091605	0	52	-1.0	-49.35	409.47	6.27	-43.08
CCC(C)(CC)CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008091606	0	40	-1.0	-50.43	312.60	3.46	-46.97
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008091607	0	42	-2.0	-134.63	347.57	6.10	-128.53
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300008091608	0	47	-1.0	-52.79	366.90	5.30	-47.49
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008091609	0	39	-1.0	-49.17	314.15	3.48	-45.69
CCC(C)(CC)CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008091610	0	43	-1.0	-56.14	334.16	6.27	-49.87
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008091611	0	37	-1.0	-45.06	320.36	3.80	-41.26
CCC(C)(CC)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008091611	1	36	-2.0	-95.09	320.74	3.47	-91.62
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008091612	0	46	-1.0	-49.97	356.65	7.38	-42.59
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(CC)CC	REAL300008091613	0	47	-1.0	-54.32	362.95	5.89	-48.43
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300008091614	0	44	-1.0	-50.49	339.33	5.31	-45.18
CCC(C)(CC)CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008091615	0	39	-1.0	-54.26	316.77	3.35	-50.91
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008091616	0	40	-1.0	-53.55	322.22	2.88	-50.67
CCC(C)(CC)CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008091617	0	46	-1.0	-50.98	366.59	7.41	-43.57
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008091618	0	40	-1.0	-49.00	331.98	4.86	-44.14
CCC(C)(CC)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008091619	0	46	-1.0	-52.87	355.76	8.31	-44.56
CCC(C)(CC)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008091620	0	43	-1.0	-45.23	345.02	6.73	-38.50
CCC(C)(CC)CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008091621	0	43	-1.0	-56.07	332.45	6.32	-49.75
CCC(C)(CC)CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008091622	0	40	-1.0	-47.45	350.41	5.72	-41.73
CCC(C)(CC)CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008091623	0	43	-1.0	-61.11	348.66	3.72	-57.39
CCC(C)(CC)CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008091624	0	43	-1.0	-44.24	347.30	6.38	-37.86
CCC(C)(CC)CNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008091625	0	45	-1.0	-49.80	327.40	5.21	-44.59
CCC(C)(CC)CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008091626	0	37	-1.0	-41.45	321.00	5.55	-35.90
CCC(C)(CC)CNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008091627	0	42	-1.0	-50.43	333.37	3.89	-46.54
CCC(C)(CC)CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008091628	0	43	-1.0	-56.07	332.45	6.32	-49.75
CCOC1=CC=C(S(=O)(=O)NCC(C)(CC)CC)C=C1C(=O)[O-]	REAL300008091629	0	47	-1.0	-58.18	369.85	6.12	-52.06
CCC(C)(CC)CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008091630	0	47	-1.0	-48.61	366.13	7.02	-41.59
CCC(C)(CC)CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008091631	0	39	-1.0	-44.01	305.61	4.21	-39.80
CCC(C)(CC)CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008091632	0	45	-1.0	-54.08	362.45	5.54	-48.54
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1	REAL300008091633	0	42	-1.0	-49.37	345.26	8.64	-40.73
O=C([O-])C1=CC=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091634	0	42	-1.0	-53.27	345.88	8.58	-44.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091635	0	45	-1.0	-60.47	355.14	9.04	-51.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091636	0	46	-1.0	-57.70	368.36	8.48	-49.22
CC1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1C(=O)[O-]	REAL300008091637	0	45	-1.0	-53.47	360.98	9.09	-44.38
O=C([O-])C1=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=CS1	REAL300008091638	0	39	-1.0	-66.10	329.67	8.28	-57.82
O=C([O-])C1=CC=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091639	0	42	-1.0	-53.27	345.88	8.58	-44.69
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1	REAL300008091640	0	42	-1.0	-49.37	345.26	8.64	-40.73
O=C([O-])C1=CC=CC=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091641	0	42	-1.0	-69.45	332.63	9.27	-60.18
O=C([O-])C1=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=CN1	REAL300008091642	0	40	-1.0	-51.62	333.92	6.34	-45.28
O=C([O-])CN1C=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=N1	REAL300008091643	0	42	-1.0	-51.98	343.08	6.15	-45.83
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)S1	REAL300008091644	0	39	-1.0	-48.79	337.67	7.73	-41.06
O=C([O-])C1=CNN=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091645	0	39	-1.0	-55.41	317.54	5.68	-49.73
O=C([O-])C1CCCN(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C1	REAL300008091646	0	47	-1.0	-50.29	362.88	7.90	-42.39
O=C([O-])C1CCN(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)CC1	REAL300008091647	0	47	-1.0	-47.07	363.58	7.79	-39.28
O=C([O-])C1=CC=CC=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091648	0	42	-1.0	-69.45	332.63	9.27	-60.18
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091649	0	42	-1.0	-61.96	357.96	10.28	-51.68
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)O1	REAL300008091650	0	39	-1.0	-54.22	327.81	6.84	-47.38
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)O1	REAL300008091651	0	42	-1.0	-51.21	348.69	7.95	-43.26
O=C([O-])CCCS(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091652	0	41	-1.0	-51.55	329.23	6.99	-44.56
O=C([O-])C1CCCN1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091653	0	44	-1.0	-49.48	340.67	6.97	-42.51
O=C([O-])C1=CC=C(CS(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1	REAL300008091654	0	45	-1.0	-55.33	367.03	9.10	-46.23
O=C([O-])C1CCN(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)CC1	REAL300008091655	0	47	-1.0	-47.07	363.58	7.79	-39.28
O=C([O-])C1=CC=CC(CS(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091656	0	45	-1.0	-59.28	367.03	9.09	-50.19
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)O1	REAL300008091657	0	39	-1.0	-54.22	327.81	6.84	-47.38
O=C([O-])COC1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1	REAL300008091658	0	46	-1.0	-48.95	376.36	8.91	-40.04
O=C([O-])CCCS(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091659	0	41	-1.0	-51.55	329.23	6.99	-44.56
O=C([O-])C1=CSC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091660	0	39	-1.0	-50.59	338.59	7.63	-42.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1C	REAL300008091661	0	48	-1.0	-61.98	364.10	9.16	-52.82
CC1=CC=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1C(=O)[O-]	REAL300008091662	0	45	-1.0	-74.09	365.66	9.84	-64.25
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091663	0	49	-1.0	-59.04	398.36	8.30	-50.74
O=C([O-])C1=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=CS1	REAL300008091664	0	39	-1.0	-52.68	337.06	7.65	-45.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091665	0	45	-1.0	-50.98	350.03	8.90	-42.08
O=C([O-])CC1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1	REAL300008091666	0	45	-1.0	-50.36	367.47	9.42	-40.94
O=C([O-])C1=COC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091667	0	39	-1.0	-51.57	328.27	6.61	-44.96
O=C([O-])CC1=CC=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091668	0	45	-1.0	-53.42	368.04	9.35	-44.07
CC1=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C(C(=O)[O-])O1	REAL300008091669	0	42	-1.0	-54.29	332.30	7.22	-47.07
O=C([O-])C1=CN=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091670	0	41	-1.0	-48.53	340.49	6.84	-41.69
O=C([O-])C1=NSC=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091671	0	38	-1.0	-66.64	323.46	6.49	-60.15
O=C([O-])C1=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)SC=N1	REAL300008091672	0	38	-1.0	-57.59	312.65	5.36	-52.23
O=C([O-])C1=NC=CC=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091673	0	41	-1.0	-72.22	329.77	7.47	-64.75
O=C([O-])CCCCCS(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091674	0	47	-1.0	-51.53	372.23	8.55	-42.98
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=N1	REAL300008091675	0	41	-1.0	-52.50	337.85	6.41	-46.09
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091676	0	42	-1.0	-51.85	358.64	8.78	-43.07
COC1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1C(=O)[O-]	REAL300008091677	0	46	-1.0	-58.92	372.57	8.70	-50.22
CC1=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=CC=C1C(=O)[O-]	REAL300008091678	0	45	-1.0	-48.90	361.88	9.11	-39.79
CN(CCC(=O)[O-])S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091679	0	43	-1.0	-50.23	342.96	6.98	-43.25
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N(CC3=CC=CC=C3)C3CCC3)C=CC=C21	REAL300008091680	0	47	-1.0	-54.29	374.30	8.66	-45.63
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091681	0	49	-1.0	-59.04	398.36	8.30	-50.74
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091682	0	42	-1.0	-51.85	358.64	8.78	-43.07
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091683	0	42	-1.0	-53.55	330.12	8.11	-45.44
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091684	0	45	-1.0	-53.54	369.64	9.73	-43.81
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N(CC3=CC=CC=C3)C3CCC3)C=C21	REAL300008091685	0	48	-1.0	-52.11	388.82	9.60	-42.51
O=C([O-])C1=CC=C(CS(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1	REAL300008091686	0	45	-1.0	-55.33	367.03	9.10	-46.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091687	0	46	-1.0	-57.70	368.36	8.48	-49.22
CC1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1C(=O)[O-]	REAL300008091688	0	45	-1.0	-53.47	360.98	9.09	-44.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091689	0	45	-1.0	-60.47	355.14	9.04	-51.43
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091690	0	46	-1.0	-48.44	375.23	8.66	-39.78
O=C([O-])CC1(CS(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)CC1	REAL300008091691	0	45	-1.0	-50.76	353.51	8.27	-42.49
O=C([O-])CC1=CC=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091692	0	45	-1.0	-53.42	368.04	9.35	-44.07
COC1=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)SC(C(=O)[O-])=C1	REAL300008091693	0	43	-1.0	-48.87	358.88	6.91	-41.96
O=C([O-])C1CC2=CC(S(=O)(=O)N(CC3=CC=CC=C3)C3CCC3)=CC=C2O1	REAL300008091694	0	47	-1.0	-50.67	379.68	8.96	-41.71
O=C([O-])C1(C2=CC=C(S(=O)(=O)N(CC3=CC=CC=C3)C3CCC3)C=C2)CC1	REAL300008091695	0	49	-1.0	-53.69	388.62	10.34	-43.35
CCC1=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C(C(=O)[O-])O1	REAL300008091696	0	45	-1.0	-50.87	372.88	8.48	-42.39
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091697	0	44	-1.0	-64.46	363.65	10.18	-54.28
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091698	0	44	-1.0	-54.51	368.96	10.42	-44.09
CC1=NC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1C(=O)[O-]	REAL300008091699	0	44	-1.0	-47.48	357.44	7.32	-40.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091700	0	46	-1.0	-49.43	368.12	8.67	-40.76
COC1=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=CC=C1C(=O)[O-]	REAL300008091701	0	46	-1.0	-54.53	372.52	8.70	-45.83
COC1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C(CC(=O)[O-])=C1	REAL300008091702	0	49	-1.0	-68.19	387.08	9.02	-59.17
O=C([O-])CC1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1F	REAL300008091703	0	45	-1.0	-48.70	372.92	9.46	-39.24
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1	REAL300008091704	0	51	-1.0	-51.04	398.44	10.27	-40.77
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091705	0	42	-1.0	-53.36	324.34	6.59	-46.77
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N(CC3=CC=CC=C3)C3CCC3)C=CC=C12	REAL300008091706	0	48	-1.0	-52.60	377.42	10.45	-42.15
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091707	0	42	-1.0	-52.21	348.41	8.07	-44.14
O=C([O-])C1=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=CC=C1Cl	REAL300008091708	0	42	-1.0	-52.79	357.78	9.02	-43.77
O=C([O-])C1=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)OC=C1	REAL300008091709	0	39	-1.0	-65.65	326.76	7.00	-58.65
O=C([O-])C1(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)CCC1	REAL300008091710	0	42	-1.0	-46.19	322.90	7.68	-38.51
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=C1	REAL300008091711	0	46	-1.0	-67.15	370.80	9.09	-58.06
O=C([O-])C1=CNN=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091712	0	39	-1.0	-55.41	317.54	5.68	-49.73
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091713	0	42	-1.0	-53.36	324.34	6.59	-46.77
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1C(=O)[O-]	REAL300008091714	0	44	-2.0	-137.18	372.76	9.55	-127.63
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1=CC=CC=C1)C1CCC1	REAL300008091715	0	49	-1.0	-49.97	397.49	8.80	-41.17
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CC1=CC(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)=CN=C1C(=O)[O-]	REAL300008091740	0	44	-1.0	-51.66	358.55	7.35	-44.31
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C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2C1	REAL300008091746	0	48	0.0	-76.52	367.11	7.64	-68.88
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CC2C1	REAL300008091747	0	48	0.0	-78.17	367.16	7.62	-70.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091748	0	51	0.0	-82.93	381.85	7.96	-74.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091749	0	52	0.0	-81.01	390.81	7.51	-73.50
CC1=CC=C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C1C(=O)[O-]	REAL300008091750	0	51	0.0	-76.82	383.69	8.16	-68.66
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)CC2C1	REAL300008091751	0	45	0.0	-92.47	360.51	7.18	-85.29
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CC2C1	REAL300008091752	0	48	0.0	-78.17	367.16	7.62	-70.55
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C[NH+](C)C1CCC2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2C1	REAL300008091758	0	45	0.0	-78.17	348.90	4.41	-73.76
C[NH+](C)C1CCC2CN(S(=O)(=O)N3CCCC(C(=O)[O-])C3)CC2C1	REAL300008091759	0	53	0.0	-78.01	392.10	6.58	-71.43
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C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CC2C1	REAL300008091761	0	48	0.0	-100.72	360.13	8.86	-91.86
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C[NH+](C)C1CCC2CN(S(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2C1	REAL300008091769	0	51	0.0	-87.59	391.42	8.36	-79.23
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2C1	REAL300008091770	0	45	0.0	-78.08	351.92	6.02	-72.06
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2C1	REAL300008091771	0	52	0.0	-75.85	398.20	7.92	-67.93
C[NH+](C)C1CCC2CN(S(=O)(=O)CCCC(=O)[O-])CC2C1	REAL300008091772	0	47	0.0	-81.07	353.04	6.29	-74.78
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2C1	REAL300008091773	0	45	0.0	-74.76	367.09	6.47	-68.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)=C1C	REAL300008091774	0	54	0.0	-83.60	395.22	8.70	-74.90
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COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)=C1	REAL300008091776	0	55	0.0	-82.67	428.97	7.15	-75.52
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C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2C1	REAL300008091779	0	51	0.0	-76.56	389.30	8.42	-68.14
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CC2C1	REAL300008091780	0	45	0.0	-69.25	352.60	5.77	-63.48
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C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CSN=C3C(=O)[O-])CC2C1	REAL300008091784	0	44	0.0	-70.36	337.51	5.29	-65.07
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=C(C(=O)[O-])N=CS3)CC2C1	REAL300008091785	0	44	0.0	-75.65	349.92	4.88	-70.77
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=CN=C3C(=O)[O-])CC2C1	REAL300008091786	0	47	0.0	-95.34	356.11	7.01	-88.33
C[NH+](C)C1CCC2CN(S(=O)(=O)CCCCCC(=O)[O-])CC2C1	REAL300008091787	0	53	0.0	-82.83	396.03	7.86	-74.97
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)CC2C1	REAL300008091788	0	47	0.0	-78.61	369.77	5.66	-72.95
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CC2C1	REAL300008091789	0	48	0.0	-75.51	390.63	7.95	-67.56
COC1=CC=C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C1C(=O)[O-]	REAL300008091790	0	52	0.0	-86.12	394.87	7.70	-78.42
CC1=CC(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)=CC=C1C(=O)[O-]	REAL300008091791	0	51	0.0	-76.12	389.97	7.99	-68.13
CN(CCC(=O)[O-])S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091792	0	49	0.0	-75.50	366.49	5.86	-69.64
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)=C1	REAL300008091793	0	55	0.0	-82.67	428.97	7.15	-75.52
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CC2C1	REAL300008091794	0	48	0.0	-75.51	390.63	7.95	-67.56
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091795	0	48	0.0	-70.50	363.19	7.97	-62.53
C[NH+](C)C1CCC2CN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2C1	REAL300008091796	0	51	0.0	-89.86	391.42	8.38	-81.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091797	0	52	0.0	-81.01	390.81	7.51	-73.50
CC1=CC=C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C1C(=O)[O-]	REAL300008091798	0	51	0.0	-76.82	383.69	8.16	-68.66
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091799	0	51	0.0	-82.93	381.85	7.96	-74.97
C[NH+](C)C1CCC2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2C1	REAL300008091800	0	51	0.0	-79.23	384.88	7.30	-71.93
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2C1	REAL300008091801	0	51	0.0	-79.62	389.33	8.40	-71.22
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C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C4OC(C(=O)[O-])CC4=C3)CC2C1	REAL300008091803	0	53	0.0	-78.78	411.17	8.10	-70.68
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)CC2C1	REAL300008091804	0	55	0.0	-79.86	413.26	9.52	-70.34
CCC1=C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C(C(=O)[O-])O1	REAL300008091805	0	51	0.0	-82.74	386.24	7.26	-75.48
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])CC2C1	REAL300008091806	0	50	0.0	-97.35	387.00	9.39	-87.96
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC([N+](=O)[O-])=CC=C3C(=O)[O-])CC2C1	REAL300008091807	0	50	0.0	-80.38	395.06	9.32	-71.06
CC1=NC=C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C1C(=O)[O-]	REAL300008091808	0	50	0.0	-73.76	378.40	6.38	-67.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091809	0	52	0.0	-74.79	390.85	7.52	-67.27
COC1=CC(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)=CC=C1C(=O)[O-]	REAL300008091810	0	52	0.0	-82.21	401.23	7.52	-74.69
COC1=CC=C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)C(CC(=O)[O-])=C1	REAL300008091811	0	55	0.0	-85.99	410.79	7.70	-78.29
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C(F)=C3)CC2C1	REAL300008091812	0	51	0.0	-79.11	401.54	8.26	-70.85
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(C(C)(C)C(=O)[O-])C=C3)CC2C1	REAL300008091813	0	57	0.0	-77.77	422.04	9.31	-68.46
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091814	0	48	0.0	-75.51	359.72	6.04	-69.47
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)=C1	REAL300008091815	0	48	0.0	-79.56	376.63	6.41	-73.15
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)CC2C1	REAL300008091816	0	48	0.0	-75.68	380.10	8.03	-67.65
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CC2C1	REAL300008091817	0	45	0.0	-89.78	352.86	6.22	-83.56
C[NH+](C)C1CCC2CN(S(=O)(=O)C3(C(=O)[O-])CCC3)CC2C1	REAL300008091818	0	48	0.0	-64.87	347.66	6.74	-58.13
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)=C1	REAL300008091819	0	52	0.0	-91.86	394.96	7.84	-84.02
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2C1	REAL300008091820	0	45	0.0	-78.17	348.90	4.41	-73.76
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091821	0	48	0.0	-75.51	359.72	6.04	-69.47
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CC2C1	REAL300008091822	0	50	-1.0	-155.41	400.81	8.40	-147.01
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091823	0	55	0.0	-70.49	415.70	7.87	-62.62
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CC2C1	REAL300008091824	0	47	0.0	-75.32	370.12	5.57	-69.75
C[NH+](C)C1CCC2CN(S(=O)(=O)CC3=CC=CC=C3C(=O)[O-])CC2C1	REAL300008091825	0	51	0.0	-84.66	387.31	8.59	-76.07
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CC2C1	REAL300008091826	0	45	0.0	-72.46	373.57	6.11	-66.35
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091827	0	55	0.0	-86.14	419.72	8.20	-77.94
COC1=CC=C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)C(C(=O)[O-])=C1	REAL300008091828	0	52	0.0	-102.90	388.24	8.02	-94.88
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=NC(C(=O)[O-])=C3)CC2C1	REAL300008091829	0	47	0.0	-80.30	363.67	5.87	-74.43
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CC2C1	REAL300008091830	0	45	0.0	-68.63	351.25	3.90	-64.73
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CCC([NH+](C)C)CC2C1	REAL300008091831	0	48	0.0	-84.19	368.66	5.40	-78.79
C[NH+](C)C1CCC2CN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2C1	REAL300008091832	0	48	0.0	-78.86	358.47	6.75	-72.11
C[NH+](C)C1CCC2CN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2C1	REAL300008091833	0	51	0.0	-86.30	371.31	7.25	-79.05
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)S1	REAL300008091834	0	48	0.0	-77.38	378.53	7.38	-70.00
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CC2C1	REAL300008091835	0	51	0.0	-94.76	382.24	8.90	-85.86
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=C4C=CC=CN4C(C(=O)[O-])=N3)CC2C1	REAL300008091836	0	51	0.0	-90.25	400.27	6.07	-84.18
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=C4C=CC(C(=O)[O-])=CN4C=N3)CC2C1	REAL300008091837	0	51	0.0	-74.57	395.63	8.84	-65.73
C[NH+](C)C1CCC2CN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])CC2C1	REAL300008091838	0	48	0.0	-81.90	364.99	6.96	-74.94
C[NH+](C)C1CCC2CN(S(=O)(=O)N3CCCCC3C(=O)[O-])CC2C1	REAL300008091839	0	53	0.0	-82.49	379.45	7.24	-75.25
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CC2C1	REAL300008091840	0	45	0.0	-68.63	351.25	3.90	-64.73
C[NH+](C)C1CCC2CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CC2C1	REAL300008091841	0	50	0.0	-90.13	376.19	6.26	-83.87
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2C1	REAL300008091842	0	45	0.0	-78.17	348.90	4.41	-73.76
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=C(C(=O)[O-])SC(Cl)=C3)CC2C1	REAL300008091843	0	45	0.0	-83.08	369.04	7.94	-75.14
C[NH+](C)C1CCC2CN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2C1	REAL300008091844	0	48	0.0	-87.04	354.35	7.20	-79.84
CC1=CC(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)=CN=C1C(=O)[O-]	REAL300008091845	0	50	0.0	-78.89	379.97	6.41	-72.48
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CC2C1	REAL300008091846	0	51	0.0	-94.76	382.24	8.90	-85.86
CCOC1=CC=C(S(=O)(=O)N2CC3CCC([NH+](C)C)CC3C2)C=C1C(=O)[O-]	REAL300008091847	0	55	0.0	-83.07	423.10	8.42	-74.65
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)CC2C1	REAL300008091848	0	55	0.0	-70.86	419.35	9.33	-61.53
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])CC2C1	REAL300008091849	0	47	0.0	-83.43	352.97	6.88	-76.55
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300008091850	0	35	-1.0	-48.77	321.07	7.47	-41.30
CC1=CC(N(C)S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300008091851	0	35	-1.0	-49.93	329.71	7.72	-42.21
CC1=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Br	REAL300008091852	0	38	-1.0	-52.91	334.98	8.01	-44.90
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Br	REAL300008091853	0	38	-1.0	-52.38	345.66	8.26	-44.12
CC1=CC(N(C)S(=O)(=O)C2=C(C(=O)[O-])SC=C2)=CC=C1Br	REAL300008091854	0	32	-1.0	-59.61	307.94	7.20	-52.41
CC1=CC(N(C)S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300008091855	0	35	-1.0	-49.93	329.71	7.72	-42.21
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300008091856	0	35	-1.0	-48.77	321.07	7.47	-41.30
CC1=CC(N(C)S(=O)(=O)C2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300008091857	0	35	-1.0	-64.16	313.05	8.53	-55.63
CC1=CC(N(C)S(=O)(=O)C2=CNC(C(=O)[O-])=C2)=CC=C1Br	REAL300008091858	0	33	-1.0	-52.07	317.53	5.24	-46.83
CC1=CC(N(C)S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=CC=C1Br	REAL300008091859	0	35	-1.0	-51.21	325.21	5.56	-45.65
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1Br	REAL300008091860	0	32	-1.0	-49.20	313.31	6.62	-42.58
CC1=CC(N(C)S(=O)(=O)C2=NNC=C2C(=O)[O-])=CC=C1Br	REAL300008091861	0	32	-1.0	-50.24	302.54	4.57	-45.67
CC1=CC(N(C)S(=O)(=O)C2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300008091862	0	35	-1.0	-64.16	313.05	8.53	-55.63
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=CC=C1Br	REAL300008091863	0	32	-1.0	-51.23	315.26	5.98	-45.25
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)C2=CC=C(Br)C(C)=C2)O1	REAL300008091864	0	35	-1.0	-49.26	326.25	6.47	-42.79
CC1=CC(N(C)S(=O)(=O)CCCC(=O)[O-])=CC=C1Br	REAL300008091865	0	34	-1.0	-51.38	315.43	6.15	-45.23
CC1=CC(N(C)S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300008091866	0	38	-1.0	-56.67	347.39	8.30	-48.37
CC1=CC(N(C)S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300008091867	0	38	-1.0	-59.69	353.20	8.24	-51.45
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=CC=C1Br	REAL300008091868	0	32	-1.0	-51.23	315.26	5.98	-45.25
CC1=CC(N(C)S(=O)(=O)CCCC(=O)[O-])=CC=C1Br	REAL300008091869	0	34	-1.0	-51.38	315.43	6.15	-45.23
CC1=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1Br	REAL300008091870	0	32	-1.0	-48.20	321.86	6.55	-41.65
CC1=CC(N(C)S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])=CC=C1Br	REAL300008091871	0	38	-1.0	-69.41	341.99	8.51	-60.90
CC1=CC(N(C)S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=CC=C1Br	REAL300008091872	0	32	-1.0	-49.45	320.11	6.55	-42.90
CC1=CC(N(C)S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1Br	REAL300008091873	0	38	-1.0	-54.26	334.99	8.28	-45.98
CC1=CC(N(C)S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1Br	REAL300008091874	0	38	-1.0	-47.77	351.15	8.58	-39.19
CC1=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=CC=C1Br	REAL300008091875	0	32	-1.0	-48.45	315.47	5.72	-42.73
CC1=CC(N(C)S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=CC=C1Br	REAL300008091876	0	38	-1.0	-53.60	343.22	8.24	-45.36
CC1=C(S(=O)(=O)N(C)C2=CC=C(Br)C(C)=C2)C=C(C(=O)[O-])O1	REAL300008091877	0	35	-1.0	-50.23	327.85	6.65	-43.58
CC1=CC(N(C)S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300008091878	0	34	-1.0	-44.07	324.88	5.92	-38.15
CC1=CC(N(C)S(=O)(=O)C2=CSN=C2C(=O)[O-])=CC=C1Br	REAL300008091879	0	31	-1.0	-63.96	305.88	5.74	-58.22
CC1=CC(N(C)S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=CC=C1Br	REAL300008091880	0	31	-1.0	-53.72	296.32	4.97	-48.75
CC1=CC(N(C)S(=O)(=O)C2=CC=CN=C2C(=O)[O-])=CC=C1Br	REAL300008091881	0	34	-1.0	-67.65	313.54	6.79	-60.86
CC1=CC(N(C)S(=O)(=O)CCCCCC(=O)[O-])=CC=C1Br	REAL300008091882	0	40	-1.0	-52.85	358.43	7.71	-45.14
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=CC=C1Br	REAL300008091883	0	34	-1.0	-50.62	323.97	5.63	-44.99
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=CC=C1Br	REAL300008091884	0	38	-1.0	-46.80	345.64	8.27	-38.53
CC1=CC(N(C)S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300008091885	0	38	-1.0	-56.67	347.39	8.30	-48.37
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1Br	REAL300008091886	0	38	-1.0	-52.38	345.66	8.26	-44.12
CC1=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1Br	REAL300008091887	0	38	-1.0	-52.91	334.98	8.01	-44.90
CC1=CC(N(C)S(=O)(=O)CC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300008091888	0	38	-1.0	-46.58	334.11	7.45	-39.13
CC1=CC(N(C)S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=CC=C1Br	REAL300008091889	0	38	-1.0	-53.60	343.22	8.24	-45.36
CC1=CC(N(C)S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)=CC=C1Br	REAL300008091890	0	37	-1.0	-45.91	341.06	6.43	-39.48
CC1=CC(N(C)S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=CC=C1Br	REAL300008091891	0	35	-1.0	-50.29	319.69	6.00	-44.29
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)C2=CC=C(Br)C(C)=C2)=C1	REAL300008091892	0	35	-1.0	-53.44	326.00	6.61	-46.83
CC1=CC(N(C)S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=CC=C1Br	REAL300008091893	0	32	-1.0	-51.25	303.77	6.32	-44.93
CC1=CC(N(C)S(=O)(=O)C2(C(=O)[O-])CCC2)=CC=C1Br	REAL300008091894	0	35	-1.0	-40.66	307.71	6.80	-33.86
CC1=CC(N(C)S(=O)(=O)C2=NNC=C2C(=O)[O-])=CC=C1Br	REAL300008091895	0	32	-1.0	-50.24	302.54	4.57	-45.67
CC1=CC(N(C)S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=CC=C1Br	REAL300008091896	0	35	-1.0	-50.29	319.69	6.00	-44.29
CC1=CC(N(C)S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=CC=C1Br	REAL300008091897	0	32	-1.0	-43.80	312.52	3.78	-40.02
CC1=CC(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)=CC=C1Br	REAL300008091898	0	35	-1.0	-55.54	325.94	5.11	-50.43
CC1=CC(N(C)S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300008091899	0	35	-1.0	-51.41	314.17	6.72	-44.69
CC1=CC(N(C)S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300008091900	0	38	-1.0	-53.12	327.46	7.18	-45.94
CC1=CC(N(C)S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=CC=C1Br	REAL300008091901	0	38	-1.0	-62.54	336.14	8.67	-53.87
CC1=CC(N(C)S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])=CC=C1Br	REAL300008091902	0	35	-1.0	-53.40	326.06	6.86	-46.54
CC1=CC(N(C)S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=CC=C1Br	REAL300008091903	0	32	-1.0	-43.80	312.52	3.78	-40.02
CC1=CC(N(C)S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])=CC=C1Br	REAL300008091904	0	35	-1.0	-56.83	309.23	7.23	-49.60
CC1=CC(N(C)S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)=CC=C1Br	REAL300008091905	0	37	-1.0	-50.52	333.41	6.21	-44.31
CC1=CC(N(C)S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=CC=C1Br	REAL300008091906	0	38	-1.0	-62.54	336.14	8.67	-53.87
CC1=CC(N(C)S(=O)(=O)C2=CN=CC=C2C(=O)[O-])=CC=C1Br	REAL300008091907	0	34	-1.0	-57.46	312.50	6.79	-50.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300008091908	0	39	-1.0	-48.01	324.82	4.47	-43.54
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300008091909	0	46	-1.0	-45.11	366.09	6.74	-38.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300008091910	0	31	-1.0	-39.40	293.30	3.72	-35.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300008091911	0	41	-1.0	-44.63	320.66	4.79	-39.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300008091912	0	37	-1.0	-40.81	319.98	5.58	-35.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008091913	0	38	-1.0	-42.70	312.08	4.32	-38.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008091914	0	40	-1.0	-53.70	347.28	1.68	-52.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008091915	0	38	-1.0	-41.32	333.40	3.95	-37.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300008091916	0	45	-1.0	-44.13	354.78	4.09	-40.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300008091917	0	37	-1.0	-38.86	311.78	5.37	-33.49
CC[C@H](C)[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300008091918	0	45	-1.0	-41.63	337.89	4.50	-37.13
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300008091919	0	40	-1.0	-45.90	323.78	3.21	-42.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008091920	0	50	-1.0	-43.16	386.20	7.91	-35.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008091921	0	40	-1.0	-45.79	328.84	3.24	-42.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008091922	0	34	-1.0	-41.39	297.40	4.74	-36.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008091923	0	34	-1.0	-41.95	308.71	4.78	-37.17
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008091924	0	39	-1.0	-47.13	315.19	6.41	-40.72
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008091925	0	40	-1.0	-40.93	343.82	6.05	-34.88
CC[C@H](C)[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008091926	0	44	-1.0	-46.48	369.94	0.64	-45.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300008091927	0	45	-1.0	-44.28	369.86	5.99	-38.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300008091928	0	37	-1.0	-42.83	315.18	4.88	-37.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008091929	0	40	-1.0	-45.38	329.25	4.57	-40.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300008091930	0	41	-1.0	-44.86	342.49	3.88	-40.98
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=N1	REAL300008091931	0	40	-1.0	-44.94	336.45	1.77	-43.17
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008091932	0	43	-1.0	-54.77	371.62	2.36	-52.41
CC[C@H](C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008091933	0	39	-1.0	-48.47	333.35	0.14	-48.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300008091934	0	44	-1.0	-44.48	345.30	4.91	-39.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008091935	0	39	-1.0	-43.82	331.96	5.25	-38.57
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008091936	0	37	-1.0	-39.62	326.88	5.39	-34.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008091937	0	39	-1.0	-46.26	325.31	4.47	-41.79
CC[C@H](C)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300008091938	0	44	-1.0	-43.37	360.39	-0.15	-43.52
CC[C@H](C)[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300008091939	0	43	-1.0	-40.37	329.67	2.04	-38.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300008091940	0	43	-1.0	-50.30	353.42	5.19	-45.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300008091941	0	43	-1.0	-48.71	345.89	4.05	-44.66
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300008091942	0	40	-1.0	-46.18	328.95	3.19	-42.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300008091943	0	43	-1.0	-51.53	351.97	5.40	-46.13
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300008091944	0	40	-1.0	-52.45	332.86	4.53	-47.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300008091945	0	40	-1.0	-53.36	321.42	3.30	-50.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008091946	0	46	-1.0	-45.65	336.09	6.51	-39.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008091947	0	42	-1.0	-42.02	353.90	3.55	-38.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300008091948	0	42	-1.0	-52.72	358.04	3.90	-48.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300008091949	0	37	-1.0	-41.24	323.83	5.28	-35.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300008091950	0	37	-1.0	-42.52	304.65	5.02	-37.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008091951	0	40	-1.0	-44.67	342.55	6.91	-37.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008091952	0	39	-1.0	-39.45	335.89	6.22	-33.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008091953	0	38	-1.0	-46.19	332.90	3.79	-42.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008091954	0	41	-1.0	-43.90	335.61	5.70	-38.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300008091955	0	49	-1.0	-47.31	384.90	5.60	-41.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008091956	0	37	-1.0	-43.20	320.75	5.09	-38.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300008091957	0	45	-1.0	-44.42	353.58	3.64	-40.78
CCC1=C(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)C=C(C(=O)[O-])O1	REAL300008098001	0	38	-1.0	-60.21	361.15	4.05	-56.16
CC1=NC=C(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300008098002	0	37	-1.0	-53.94	348.40	2.85	-51.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098003	0	39	-1.0	-55.11	357.35	3.96	-51.15
COC1=CC(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300008098004	0	39	-1.0	-60.66	364.22	4.21	-56.45
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)C=C1F	REAL300008098005	0	38	-1.0	-58.50	364.52	4.96	-53.54
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098006	0	35	-1.0	-60.01	328.83	2.46	-57.55
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=C1	REAL300008098007	0	35	-1.0	-57.69	339.66	3.10	-54.59
O=C([O-])C1=CC(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=CC=C1Cl	REAL300008098008	0	35	-1.0	-58.37	349.44	4.53	-53.84
O=C([O-])C1=C(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)OC=C1	REAL300008098009	0	32	-1.0	-59.98	314.15	2.99	-56.99
O=C([O-])C1(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)CCC1	REAL300008098010	0	35	-1.0	-50.08	321.82	3.37	-46.71
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=C1	REAL300008098011	0	39	-1.0	-55.22	355.52	4.32	-50.90
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098012	0	32	-1.0	-59.07	313.04	1.17	-57.90
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098013	0	35	-1.0	-60.01	328.83	2.46	-57.55
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=C1	REAL300008098014	0	34	-1.0	-55.26	333.15	2.26	-53.00
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098015	0	38	-1.0	-63.70	350.69	5.29	-58.41
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=C1	REAL300008098016	0	32	-1.0	-52.42	336.59	2.79	-49.63
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NN(CC(F)(F)F)C=C2)=C1	REAL300008098016	1	31	-2.0	-104.41	334.36	2.40	-102.01
COC1=CC=C(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)C(C(=O)[O-])=C1	REAL300008098017	0	39	-1.0	-57.06	355.67	4.31	-52.75
O=C([O-])C1=CC(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=CC=N1	REAL300008098018	0	34	-1.0	-61.23	333.00	2.35	-58.88
O=C([O-])C1=CC(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=NN1	REAL300008098019	0	32	-1.0	-50.51	320.42	0.38	-50.13
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098020	0	35	-1.0	-61.21	338.44	1.88	-59.33
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)C1	REAL300008098021	0	35	-1.0	-62.18	325.30	3.19	-58.99
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)C1	REAL300008098022	0	38	-1.0	-63.68	343.96	3.87	-59.81
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)S1	REAL300008098023	0	35	-1.0	-55.85	347.01	3.82	-52.03
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098024	0	38	-1.0	-64.32	349.35	5.32	-59.00
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098025	0	35	-1.0	-63.80	333.59	3.47	-60.33
O=C([O-])C1CCCCN1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098026	0	40	-1.0	-57.33	344.05	4.19	-53.14
O=C([O-])C1=CC(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=NN1	REAL300008098027	0	32	-1.0	-50.51	320.42	0.38	-50.13
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098028	0	37	-1.0	-68.00	336.73	3.29	-64.71
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098029	0	32	-1.0	-59.07	313.04	1.17	-57.90
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098030	0	35	-1.0	-67.89	317.28	3.87	-64.02
CC1=CC(S(=O)(=O)NCC2=NN(CC(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300008098031	0	37	-1.0	-57.82	349.61	2.89	-54.93
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098032	0	38	-1.0	-64.32	349.35	5.32	-59.00
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1=NN(CC(F)(F)F)C=C1	REAL300008098033	0	34	-1.0	-50.84	321.96	3.20	-47.64
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300008098034	0	55	0.0	-71.79	408.72	4.91	-66.88
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300008098035	0	55	0.0	-74.83	408.75	4.90	-69.93
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300008098036	0	58	0.0	-74.38	423.14	5.78	-68.60
CC1=CC=C(S(=O)(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300008098037	0	58	0.0	-73.85	424.65	5.45	-68.40
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300008098038	0	52	0.0	-60.34	395.90	4.93	-55.41
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300008098039	0	55	0.0	-74.83	408.75	4.90	-69.93
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300008098040	0	55	0.0	-71.79	408.72	4.91	-66.88
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC1	REAL300008098041	0	55	0.0	-62.78	401.95	5.99	-56.79
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)CC1	REAL300008098042	0	53	0.0	-72.82	397.25	2.62	-70.20
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CC1	REAL300008098043	0	55	0.0	-72.60	413.32	3.04	-69.56
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)CC1	REAL300008098044	0	52	0.0	-68.62	401.00	4.04	-64.58
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300008098045	0	52	0.0	-68.04	384.81	1.92	-66.12
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300008098046	0	60	0.0	-64.91	424.95	3.96	-60.95
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300008098047	0	60	0.0	-76.43	426.37	4.31	-72.12
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC1	REAL300008098048	0	55	0.0	-62.78	401.95	5.99	-56.79
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300008098049	0	52	0.0	-68.86	393.49	3.27	-65.59
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)O1	REAL300008098050	0	55	0.0	-71.39	411.72	3.74	-67.65
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)CCCC(=O)[O-])CC1	REAL300008098051	0	54	0.0	-70.66	394.75	3.52	-67.14
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)N2CCCC2C(=O)[O-])CC1	REAL300008098052	0	57	0.0	-48.83	405.71	3.88	-44.95
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300008098053	0	58	0.0	-78.44	432.52	5.62	-72.82
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300008098054	0	60	0.0	-76.43	426.37	4.31	-72.12
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300008098055	0	58	0.0	-85.86	433.12	5.87	-79.99
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300008098056	0	52	0.0	-68.86	393.49	3.27	-65.59
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)CCCC(=O)[O-])CC1	REAL300008098057	0	54	0.0	-70.66	394.75	3.52	-67.14
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300008098058	0	52	0.0	-71.62	401.89	3.91	-67.71
CC1=CC=CC(S(=O)(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)=C1C(=O)[O-]	REAL300008098059	0	58	0.0	-67.95	425.53	5.89	-62.06
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)CC1	REAL300008098060	0	52	0.0	-70.15	400.96	4.19	-65.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300008098061	0	58	0.0	-70.10	417.76	5.64	-64.46
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300008098062	0	58	0.0	-70.05	431.49	5.95	-64.10
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)CC1	REAL300008098063	0	52	0.0	-69.98	397.70	3.24	-66.74
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300008098064	0	58	0.0	-72.89	430.91	5.68	-67.21
CC1=C(S(=O)(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C=C(C(=O)[O-])O1	REAL300008098065	0	55	0.0	-76.66	401.87	3.68	-72.98
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300008098066	0	54	0.0	-69.17	403.92	3.10	-66.07
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CSN=C2C(=O)[O-])CC1	REAL300008098067	0	51	0.0	-67.44	385.87	3.03	-64.41
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)CC1	REAL300008098068	0	51	0.0	-80.97	383.90	2.44	-78.53
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])CC1	REAL300008098069	0	54	0.0	-57.81	395.37	4.23	-53.58
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)CCCCCC(=O)[O-])CC1	REAL300008098070	0	60	0.0	-72.58	437.75	5.09	-67.49
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300008098071	0	54	0.0	-69.51	405.19	3.39	-66.12
CC1=CC(S(=O)(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300008098072	0	58	0.0	-71.00	424.63	5.41	-65.59
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)N(C)CCC(=O)[O-])CC1	REAL300008098073	0	56	0.0	-67.70	408.17	3.12	-64.58
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300008098074	0	58	0.0	-78.44	432.52	5.62	-72.82
CC1=CC=C(S(=O)(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300008098075	0	58	0.0	-73.85	424.65	5.45	-68.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300008098076	0	58	0.0	-74.38	423.14	5.78	-68.60
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300008098077	0	58	0.0	-62.03	423.57	5.30	-56.73
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300008098078	0	58	0.0	-72.89	430.91	5.68	-67.21
CC1=NC=C(S(=O)(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300008098079	0	57	0.0	-66.49	423.64	3.69	-62.80
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300008098080	0	55	0.0	-64.46	400.62	3.24	-61.22
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)=C1	REAL300008098081	0	55	0.0	-69.52	411.42	3.84	-65.68
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)CC1	REAL300008098082	0	52	0.0	-64.54	386.52	4.03	-60.51
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1	REAL300008098083	0	55	0.0	-59.14	397.60	4.35	-54.79
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300008098084	0	52	0.0	-68.04	384.81	1.92	-66.12
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300008098085	0	55	0.0	-64.46	400.62	3.24	-61.22
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300008098086	0	54	0.0	-64.66	408.87	3.24	-61.42
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CC1	REAL300008098087	0	58	0.0	-72.85	421.93	5.95	-66.90
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300008098088	0	54	0.0	-73.49	404.81	3.12	-70.37
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CC1	REAL300008098089	0	52	0.0	-61.08	392.80	1.42	-59.66
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)CC1	REAL300008098090	0	55	0.0	-75.85	410.21	2.63	-73.22
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300008098091	0	55	0.0	-69.30	397.18	3.94	-65.36
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300008098092	0	58	0.0	-73.75	419.76	4.81	-68.94
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300008098093	0	58	0.0	-72.38	425.16	6.35	-66.03
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300008098094	0	55	0.0	-72.60	405.40	4.23	-68.37
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300008098095	0	60	0.0	-60.16	416.27	5.20	-54.96
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CC1	REAL300008098096	0	52	0.0	-61.08	392.80	1.42	-59.66
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300008098097	0	57	0.0	-81.81	413.08	4.56	-77.25
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=NNC=C2C(=O)[O-])CC1	REAL300008098098	0	52	0.0	-68.04	384.81	1.92	-66.12
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300008098099	0	55	0.0	-80.48	393.54	5.14	-75.34
CC1=CC(S(=O)(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)=CN=C1C(=O)[O-]	REAL300008098100	0	57	0.0	-74.46	420.58	3.67	-70.79
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300008098101	0	58	0.0	-72.38	425.16	6.35	-66.03
CC(C)[NH+]1CCN(C(C)(C)CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])CC1	REAL300008098102	0	54	0.0	-59.85	393.68	3.91	-55.94
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300008098103	0	36	-1.0	-49.92	340.63	4.87	-45.05
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098104	0	36	-1.0	-54.55	340.65	4.86	-49.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098105	0	39	-1.0	-53.96	355.28	5.77	-48.19
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300008098106	0	39	-1.0	-54.01	356.69	5.40	-48.61
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=CS1	REAL300008098107	0	33	-1.0	-47.40	323.83	4.64	-42.76
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098108	0	36	-1.0	-54.55	340.65	4.86	-49.69
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300008098109	0	36	-1.0	-49.92	340.63	4.87	-45.05
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098110	0	36	-1.0	-50.57	330.00	5.74	-44.83
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=CN1	REAL300008098111	0	34	-1.0	-52.61	329.17	2.58	-50.03
O=C([O-])CN1C=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=N1	REAL300008098112	0	36	-1.0	-50.91	345.21	2.98	-47.93
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)S1	REAL300008098113	0	33	-1.0	-47.54	332.92	4.00	-43.54
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098114	0	33	-1.0	-51.88	316.76	1.90	-49.98
O=C([O-])C1CCCN(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300008098115	0	41	-1.0	-49.57	356.07	3.90	-45.67
O=C([O-])C1CCN(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300008098116	0	41	-1.0	-51.97	357.69	4.02	-47.95
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098117	0	36	-1.0	-50.57	330.00	5.74	-44.83
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)O1	REAL300008098118	0	33	-1.0	-48.54	325.41	3.23	-45.31
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)O1	REAL300008098119	0	36	-1.0	-50.48	343.64	3.70	-46.78
O=C([O-])CCCS(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098120	0	35	-1.0	-52.29	326.68	3.50	-48.79
O=C([O-])C1CCCN1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098121	0	38	-1.0	-46.79	340.20	3.71	-43.08
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300008098122	0	39	-1.0	-58.87	364.43	5.60	-53.27
O=C([O-])C1CCN(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300008098123	0	41	-1.0	-51.97	357.69	4.02	-47.95
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098124	0	39	-1.0	-59.14	364.44	5.59	-53.55
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)O1	REAL300008098125	0	33	-1.0	-48.54	325.41	3.23	-45.31
O=C([O-])CCCS(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098126	0	35	-1.0	-52.29	326.68	3.50	-48.79
O=C([O-])C1=CSC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098127	0	33	-1.0	-50.75	333.83	3.89	-46.86
CC1=CC=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1C(=O)[O-]	REAL300008098128	0	39	-1.0	-54.65	357.30	5.92	-48.73
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=CS1	REAL300008098129	0	33	-1.0	-50.07	332.30	3.89	-46.18
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098130	0	39	-1.0	-50.29	350.41	5.52	-44.77
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300008098131	0	39	-1.0	-49.47	362.82	5.65	-43.82
O=C([O-])C1=COC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098132	0	33	-1.0	-50.02	325.66	2.97	-47.05
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098133	0	39	-1.0	-52.64	362.82	5.64	-47.00
CC1=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300008098134	0	36	-1.0	-52.21	345.34	3.98	-48.23
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098135	0	35	-1.0	-48.60	335.82	3.06	-45.54
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098136	0	32	-1.0	-51.94	318.15	3.12	-48.82
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)SC=N1	REAL300008098137	0	32	-1.0	-55.11	322.22	2.58	-52.53
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098138	0	35	-1.0	-54.54	326.86	3.94	-50.60
O=C([O-])CCCCCS(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098139	0	41	-1.0	-53.81	369.67	5.07	-48.74
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=N1	REAL300008098140	0	35	-1.0	-51.76	336.51	3.07	-48.69
CC1=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300008098141	0	39	-1.0	-49.13	356.66	5.41	-43.72
CN(CCC(=O)[O-])S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098142	0	37	-1.0	-49.56	339.81	3.09	-46.47
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098143	0	36	-1.0	-51.11	340.76	5.37	-45.74
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300008098144	0	39	-1.0	-58.87	364.43	5.60	-53.27
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300008098145	0	39	-1.0	-54.01	356.69	5.40	-48.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098146	0	39	-1.0	-53.96	355.28	5.77	-48.19
O=C([O-])CC1(CS(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300008098147	0	39	-1.0	-48.03	351.22	4.75	-43.28
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098148	0	39	-1.0	-52.64	362.82	5.64	-47.00
CCC1=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C(C(=O)[O-])O1	REAL300008098149	0	39	-1.0	-51.67	364.99	4.78	-46.89
CC1=NC=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300008098150	0	38	-1.0	-45.34	352.09	3.58	-41.76
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098151	0	36	-1.0	-47.73	332.63	3.21	-44.52
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098152	0	36	-1.0	-49.42	343.38	3.82	-45.60
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)OC=C1	REAL300008098153	0	33	-1.0	-53.44	317.87	3.72	-49.72
O=C([O-])C1(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300008098154	0	36	-1.0	-44.56	325.53	4.10	-40.46
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098155	0	33	-1.0	-51.88	316.76	1.90	-49.98
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098156	0	36	-1.0	-47.73	332.63	3.21	-44.52
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098157	0	35	-1.0	-49.95	334.11	3.19	-46.76
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098158	0	39	-1.0	-56.15	354.39	6.03	-50.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098159	0	33	-1.0	-46.77	340.30	3.51	-43.26
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098159	1	32	-2.0	-92.40	338.07	3.13	-89.27
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=CC=N1	REAL300008098160	0	35	-1.0	-53.61	336.71	3.08	-50.53
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=NN1	REAL300008098161	0	33	-1.0	-44.34	324.13	1.11	-43.23
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098162	0	36	-1.0	-54.34	342.16	2.61	-51.73
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300008098163	0	36	-1.0	-51.72	329.04	3.91	-47.81
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300008098164	0	39	-1.0	-55.53	347.54	4.55	-50.98
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)S1	REAL300008098165	0	36	-1.0	-50.62	350.73	4.55	-46.07
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098166	0	39	-1.0	-56.79	353.16	6.01	-50.78
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098167	0	36	-1.0	-55.88	338.08	4.22	-51.66
O=C([O-])C1CCCCN1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098168	0	41	-1.0	-49.97	347.68	4.94	-45.03
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=NN1	REAL300008098169	0	33	-1.0	-44.34	324.13	1.11	-43.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098170	0	38	-1.0	-44.64	342.81	3.57	-41.07
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098171	0	33	-1.0	-51.88	316.76	1.90	-49.98
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098172	0	36	-1.0	-59.54	321.05	4.60	-54.94
CC1=CC(S(=O)(=O)NCC2=CC=CC(OC(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300008098173	0	38	-1.0	-52.87	353.04	3.62	-49.25
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098174	0	39	-1.0	-56.79	353.16	6.01	-50.78
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1=CC=CC(OC(F)(F)F)=C1	REAL300008098175	0	35	-1.0	-45.03	325.47	3.93	-41.10
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008098176	0	41	-1.0	-48.61	339.97	3.95	-44.66
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008098177	0	41	-1.0	-54.26	340.01	3.96	-50.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098178	0	44	-1.0	-53.32	355.46	4.90	-48.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098179	0	45	-1.0	-56.43	356.44	3.83	-52.60
CC1=CC=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C=C1C(=O)[O-]	REAL300008098180	0	44	-1.0	-49.93	356.00	4.48	-45.45
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008098181	0	38	-1.0	-49.61	323.98	3.73	-45.88
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008098182	0	41	-1.0	-54.26	340.01	3.96	-50.30
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008098183	0	41	-1.0	-48.61	339.97	3.95	-44.66
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008098184	0	41	-1.0	-52.91	329.24	4.82	-48.09
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008098185	0	39	-1.0	-52.03	328.69	1.65	-50.38
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008098186	0	41	-1.0	-49.90	344.57	2.03	-47.87
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008098187	0	38	-1.0	-46.74	332.05	3.10	-43.64
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008098188	0	38	-1.0	-57.60	321.77	0.89	-56.71
C[C@H](COC(C)(C)C)NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008098189	0	46	-1.0	-50.25	357.42	3.24	-47.01
C[C@H](COC(C)(C)C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008098190	0	46	-1.0	-50.91	358.24	3.36	-47.55
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008098191	0	41	-1.0	-52.91	329.24	4.82	-48.09
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008098192	0	41	-1.0	-46.47	346.92	5.35	-41.12
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008098193	0	38	-1.0	-48.02	325.75	2.41	-45.61
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)O1	REAL300008098194	0	41	-1.0	-50.01	344.00	2.85	-47.16
C[C@H](COC(C)(C)C)NS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008098195	0	43	-1.0	-56.32	339.22	3.21	-53.11
C[C@H](COC(C)(C)C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008098196	0	44	-1.0	-56.60	363.00	4.67	-51.93
C[C@H](COC(C)(C)C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008098197	0	46	-1.0	-50.91	358.24	3.36	-47.55
C[C@H](COC(C)(C)C)NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008098198	0	44	-1.0	-57.57	363.01	4.65	-52.92
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008098199	0	38	-1.0	-48.02	325.75	2.41	-45.61
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008098200	0	45	-1.0	-48.14	371.08	4.23	-43.91
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098201	0	45	-1.0	-43.99	366.92	4.90	-39.09
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008098202	0	38	-1.0	-50.34	333.06	3.01	-47.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)COC(C)(C)C)=C1C	REAL300008098203	0	47	-1.0	-54.76	374.03	5.35	-49.41
CC1=CC=CC(S(=O)(=O)N[C@H](C)COC(C)(C)C)=C1C(=O)[O-]	REAL300008098204	0	44	-1.0	-56.92	358.26	5.16	-51.76
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)COC(C)(C)C)=C1	REAL300008098205	0	48	-1.0	-55.16	395.04	3.66	-51.50
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008098206	0	38	-1.0	-49.32	331.69	2.99	-46.33
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008098207	0	44	-1.0	-44.75	369.22	5.84	-38.91
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098208	0	44	-1.0	-50.13	349.50	4.72	-45.41
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008098209	0	44	-1.0	-54.72	368.50	6.30	-48.42
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008098210	0	44	-1.0	-48.52	362.16	4.73	-43.79
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C=C1[N+](=O)[O-]	REAL300008098211	0	46	-1.0	-43.35	378.27	4.98	-38.37
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008098212	0	38	-1.0	-49.46	326.02	2.13	-47.33
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008098213	0	44	-1.0	-52.26	362.18	4.72	-47.54
CC1=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C=C(C(=O)[O-])O1	REAL300008098214	0	41	-1.0	-51.35	346.62	3.12	-48.23
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008098215	0	40	-1.0	-45.33	335.15	2.15	-43.18
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008098216	0	37	-1.0	-53.73	318.55	2.21	-51.52
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008098217	0	37	-1.0	-63.98	322.99	1.73	-62.25
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008098218	0	40	-1.0	-56.50	327.25	3.06	-53.44
C[C@H](COC(C)(C)C)NS(=O)(=O)CCCCCC(=O)[O-]	REAL300008098219	0	46	-1.0	-52.29	368.24	4.13	-48.16
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008098220	0	40	-1.0	-50.33	335.88	2.13	-48.20
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008098221	0	41	-1.0	-45.60	356.72	4.46	-41.14
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008098222	0	41	-1.0	-45.55	361.29	4.56	-40.99
COC1=CC=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C=C1C(=O)[O-]	REAL300008098223	0	45	-1.0	-59.96	367.27	4.01	-55.95
CC1=CC(S(=O)(=O)N[C@H](C)COC(C)(C)C)=CC=C1C(=O)[O-]	REAL300008098224	0	44	-1.0	-48.06	355.99	4.49	-43.57
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008098225	0	46	-1.0	-52.17	376.83	4.51	-47.66
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)COC(C)(C)C)=C1	REAL300008098226	0	48	-1.0	-55.16	395.04	3.66	-51.50
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008098227	0	41	-1.0	-45.60	356.72	4.46	-41.14
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098228	0	41	-1.0	-49.41	338.02	4.27	-45.14
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098229	0	44	-1.0	-48.20	370.65	5.35	-42.85
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C=C21	REAL300008098230	0	47	-1.0	-50.68	386.94	5.30	-45.38
C[C@H](COC(C)(C)C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008098231	0	44	-1.0	-56.60	363.00	4.67	-51.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098232	0	45	-1.0	-56.43	356.44	3.83	-52.60
CC1=CC=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C=C1C(=O)[O-]	REAL300008098233	0	44	-1.0	-49.93	356.00	4.48	-45.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098234	0	44	-1.0	-53.32	355.46	4.90	-48.42
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098235	0	45	-1.0	-46.83	360.60	4.08	-42.75
C[C@H](COC(C)(C)C)NS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008098236	0	44	-1.0	-48.18	350.26	3.83	-44.35
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008098237	0	44	-1.0	-52.26	362.18	4.72	-47.54
COC1=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)SC(C(=O)[O-])=C1	REAL300008098238	0	42	-1.0	-45.94	362.05	2.35	-43.59
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008098239	0	46	-1.0	-48.78	376.80	4.62	-44.16
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008098240	0	44	-1.0	-46.90	370.11	4.75	-42.15
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008098241	0	48	-1.0	-53.36	386.14	5.84	-47.52
CCC1=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C=C(C(=O)[O-])O1	REAL300008098242	0	44	-1.0	-50.93	366.15	3.92	-47.01
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008098243	0	43	-1.0	-47.16	358.26	5.51	-41.65
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008098244	0	44	-1.0	-49.82	377.84	5.44	-44.38
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008098245	0	43	-1.0	-41.48	358.26	5.52	-35.96
CC1=NC=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C=C1C(=O)[O-]	REAL300008098246	0	43	-1.0	-44.82	351.42	2.67	-42.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098247	0	45	-1.0	-48.71	356.46	3.83	-44.88
COC1=CC(S(=O)(=O)N[C@H](C)COC(C)(C)C)=CC=C1C(=O)[O-]	REAL300008098248	0	45	-1.0	-53.92	367.26	4.03	-49.89
COC1=CC=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C(CC(=O)[O-])=C1	REAL300008098249	0	48	-1.0	-58.79	382.35	4.49	-54.30
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008098250	0	44	-1.0	-48.02	367.61	4.77	-43.25
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008098251	0	44	-1.0	-47.15	379.04	4.96	-42.19
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008098252	0	50	-1.0	-47.17	394.90	5.64	-41.53
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008098253	0	41	-1.0	-47.86	330.55	2.17	-45.69
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008098254	0	47	-1.0	-50.67	377.20	6.20	-44.47
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@H](C)COC(C)(C)C)=C1	REAL300008098255	0	41	-1.0	-48.94	343.74	2.99	-45.95
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008098256	0	41	-1.0	-46.38	351.48	5.46	-40.92
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008098257	0	41	-1.0	-48.58	352.60	4.35	-44.23
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008098258	0	38	-1.0	-58.99	323.14	2.73	-56.26
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@H](C)COC(C)(C)C)=C1	REAL300008098259	0	45	-1.0	-51.17	359.61	4.16	-47.01
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008098260	0	38	-1.0	-57.60	321.77	0.89	-56.71
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008098261	0	41	-1.0	-47.86	330.55	2.17	-45.69
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008098262	0	43	-2.0	-133.97	366.95	4.92	-129.05
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098263	0	48	-1.0	-51.32	386.72	4.14	-47.18
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008098264	0	40	-1.0	-49.03	340.22	2.16	-46.87
C[C@H](COC(C)(C)C)NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008098265	0	44	-1.0	-53.80	352.82	5.07	-48.73
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008098266	0	38	-1.0	-46.13	340.67	2.68	-43.45
C[C@H](COC(C)(C)C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008098266	1	37	-2.0	-97.16	336.83	2.50	-94.66
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008098267	0	47	-1.0	-50.03	376.64	6.19	-43.84
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)COC(C)(C)C	REAL300008098268	0	48	-1.0	-55.82	377.90	4.73	-51.09
COC1=CC=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C(C(=O)[O-])=C1	REAL300008098269	0	45	-1.0	-53.80	359.51	4.14	-49.66
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008098270	0	40	-1.0	-56.28	336.05	2.17	-54.11
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008098271	0	38	-1.0	-44.06	321.78	0.44	-43.62
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008098272	0	41	-1.0	-53.34	341.60	1.68	-51.66
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008098273	0	47	-1.0	-51.74	385.89	6.21	-45.53
C[C@H](COC(C)(C)C)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008098274	0	44	-1.0	-53.91	344.25	3.55	-50.36
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)S1	REAL300008098275	0	41	-1.0	-50.32	349.94	3.67	-46.65
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008098276	0	47	-1.0	-55.81	375.80	7.12	-48.69
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008098277	0	44	-1.0	-44.99	364.24	5.51	-39.48
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008098278	0	44	-1.0	-57.99	352.88	5.17	-52.82
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008098279	0	41	-1.0	-48.16	369.54	4.57	-43.59
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008098280	0	44	-1.0	-60.00	372.03	2.65	-57.35
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008098281	0	44	-1.0	-45.05	372.23	5.26	-39.79
C[C@H](COC(C)(C)C)NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008098282	0	46	-1.0	-51.14	345.13	4.14	-47.00
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008098283	0	38	-1.0	-44.06	321.78	0.44	-43.62
C[C@H](COC(C)(C)C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008098284	0	43	-1.0	-47.78	332.07	2.67	-45.11
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008098285	0	38	-1.0	-57.60	321.77	0.89	-56.71
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008098286	0	38	-1.0	-44.24	341.15	4.39	-39.85
CC1=CC(S(=O)(=O)N[C@H](C)COC(C)(C)C)=CN=C1C(=O)[O-]	REAL300008098287	0	43	-1.0	-51.68	352.64	2.70	-48.98
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008098288	0	44	-1.0	-57.99	352.88	5.17	-52.82
CCOC1=CC=C(S(=O)(=O)N[C@H](C)COC(C)(C)C)C=C1C(=O)[O-]	REAL300008098289	0	48	-1.0	-60.43	389.23	4.94	-55.49
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008098290	0	48	-1.0	-49.66	385.06	5.84	-43.82
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008098291	0	40	-1.0	-47.05	324.79	3.00	-44.05
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008098292	0	46	-1.0	-54.52	381.74	4.35	-50.17
CC1(C)CN(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2O1	REAL300008098293	0	48	-1.0	-53.16	391.97	5.04	-48.12
CC1(C)CN(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300008098294	0	48	-1.0	-54.93	386.11	4.57	-50.36
CC1(C)CN(CCNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C2=CC=CC=C2O1	REAL300008098295	0	45	-1.0	-47.85	369.65	4.33	-43.52
CC1(C)CN(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300008098296	0	48	-1.0	-54.93	386.11	4.57	-50.36
CC1(C)CN(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2O1	REAL300008098297	0	48	-1.0	-53.16	391.97	5.04	-48.12
CC1(C)CN(CCNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098298	0	48	-1.0	-50.95	375.28	5.42	-45.53
CC1(C)CN(CCNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300008098299	0	46	-1.0	-54.90	374.63	2.31	-52.59
CC1(C)CN(CCNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C2=CC=CC=C2O1	REAL300008098300	0	48	-1.0	-52.62	390.67	2.69	-49.93
CC1(C)CN(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C2O1	REAL300008098301	0	45	-1.0	-51.05	378.38	3.70	-47.35
CC1(C)CN(CCNS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098302	0	45	-1.0	-53.56	362.22	1.61	-51.95
CC1(C)CN(CCNS(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300008098303	0	53	-1.0	-50.49	410.48	4.26	-46.23
CC1(C)CN(CCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300008098304	0	53	-1.0	-54.44	403.41	3.74	-50.70
CC1(C)CN(CCNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098305	0	48	-1.0	-50.95	375.28	5.42	-45.53
CC1(C)CN(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=CC=C2O1	REAL300008098306	0	45	-1.0	-53.66	370.87	2.93	-50.73
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCN2CC(C)(C)OC3=CC=CC=C32)O1	REAL300008098307	0	48	-1.0	-52.25	389.10	3.41	-48.84
CC1(C)CN(CCNS(=O)(=O)CCCC(=O)[O-])C2=CC=CC=C2O1	REAL300008098308	0	47	-1.0	-55.04	372.13	3.20	-51.84
CC1(C)CN(CCNS(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098309	0	50	-1.0	-61.64	385.92	3.71	-57.93
CC1(C)CN(CCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300008098310	0	53	-1.0	-54.44	403.41	3.74	-50.70
CC1(C)CN(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=CC=C2O1	REAL300008098311	0	45	-1.0	-53.66	370.87	2.93	-50.73
CC1(C)CN(CCNS(=O)(=O)CCCC(=O)[O-])C2=CC=CC=C2O1	REAL300008098312	0	47	-1.0	-55.04	372.13	3.20	-51.84
CC1(C)CN(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C2O1	REAL300008098313	0	45	-1.0	-51.93	379.30	3.59	-48.34
CC1(C)CN(CCNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300008098314	0	45	-1.0	-55.01	377.76	3.60	-51.41
CC1(C)CN(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C2=CC=CC=C2O1	REAL300008098315	0	45	-1.0	-51.78	371.12	2.68	-49.10
CC1=C(S(=O)(=O)NCCN2CC(C)(C)OC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300008098316	0	48	-1.0	-59.05	395.63	4.12	-54.93
CC1(C)CN(CCNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300008098317	0	47	-1.0	-49.13	381.28	2.76	-46.37
CC1(C)CN(CCNS(=O)(=O)C2=CSN=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098318	0	44	-1.0	-51.58	363.99	2.79	-48.79
CC1(C)CN(CCNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C2=CC=CC=C2O1	REAL300008098319	0	44	-1.0	-55.91	367.48	2.35	-53.56
CC1(C)CN(CCNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098320	0	47	-1.0	-54.03	378.32	4.10	-49.93
CC1(C)CN(CCNS(=O)(=O)CCCCCC(=O)[O-])C2=CC=CC=C2O1	REAL300008098321	0	53	-1.0	-56.24	415.13	4.76	-51.48
CC1(C)CN(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C2=CC=CC=C2O1	REAL300008098322	0	47	-1.0	-54.12	381.97	2.78	-51.34
CN(CCC(=O)[O-])S(=O)(=O)NCCN1CC(C)(C)OC2=CC=CC=C21	REAL300008098323	0	49	-1.0	-51.29	385.18	2.80	-48.49
CC1(C)CN(CCNS(=O)(=O)CC2(CC(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300008098324	0	51	-1.0	-51.00	396.46	4.46	-46.54
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCN1CC(C)(C)OC2=CC=CC=C21	REAL300008098325	0	48	-1.0	-55.50	378.09	2.91	-52.59
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCN2CC(C)(C)OC3=CC=CC=C32)=C1	REAL300008098326	0	48	-1.0	-54.69	388.84	3.52	-51.17
CC1(C)CN(CCNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C2=CC=CC=C2O1	REAL300008098327	0	45	-1.0	-54.57	363.32	3.43	-51.14
CC1(C)CN(CCNS(=O)(=O)C2(C(=O)[O-])CCC2)C2=CC=CC=C2O1	REAL300008098328	0	48	-1.0	-45.62	376.79	4.27	-41.35
CC1(C)CN(CCNS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098329	0	45	-1.0	-53.56	362.22	1.61	-51.95
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCN1CC(C)(C)OC2=CC=CC=C21	REAL300008098330	0	48	-1.0	-55.50	378.09	2.91	-52.59
CC1(C)CN(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C2O1	REAL300008098331	0	47	-1.0	-50.14	382.33	2.68	-47.46
CC1(C)CN(CCNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300008098332	0	47	-1.0	-56.66	388.05	3.25	-53.41
CC1(C)CN(CCNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300008098333	0	45	-1.0	-47.00	369.59	0.81	-46.19
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCCN1CC(C)(C)OC2=CC=CC=C21	REAL300008098334	0	48	-1.0	-58.35	387.62	2.32	-56.03
CC1(C)CN(CCNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300008098335	0	48	-1.0	-54.30	382.10	4.19	-50.11
CC1(C)CN(CCNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300008098336	0	51	-1.0	-56.90	402.13	4.94	-51.96
CC1(C)CN(CCNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098337	0	48	-1.0	-56.15	383.03	3.93	-52.22
CC1(C)CN(CCNS(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098338	0	53	-1.0	-50.42	393.66	4.67	-45.75
CC1(C)CN(CCNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300008098339	0	45	-1.0	-47.00	369.59	0.81	-46.19
CC1(C)CN(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098340	0	50	-1.0	-47.88	394.09	3.72	-44.16
CC1(C)CN(CCNS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098341	0	45	-1.0	-53.56	362.22	1.61	-51.95
CC1(C)CN(CCNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098342	0	48	-1.0	-58.23	372.30	4.76	-53.47
CC1(C)CN(CCNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300008098343	0	47	-1.0	-45.67	371.40	3.60	-42.07
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008098344	0	39	-1.0	-53.67	314.47	4.29	-49.38
C=CC(C)(CC)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008098345	0	35	-1.0	-44.69	291.71	5.66	-39.03
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008098346	0	39	-1.0	-47.09	312.43	4.48	-42.61
C=CC(C)(CC)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300008098347	0	39	-1.0	-44.85	325.66	5.50	-39.35
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008098348	0	41	-1.0	-55.95	313.45	5.43	-50.52
C=CC(C)(CC)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008098349	0	42	-1.0	-52.62	337.17	3.94	-48.68
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008098350	0	38	-1.0	-43.27	312.56	6.12	-37.15
C=CC(C)(CC)NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008098351	0	38	-1.0	-50.80	307.82	6.51	-44.29
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300008098352	0	40	-1.0	-41.70	323.40	5.52	-36.18
C=CC(C)(CC)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008098353	0	35	-1.0	-46.41	298.83	4.74	-41.67
C=CC(C)(CC)NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008098354	0	35	-1.0	-46.43	303.39	4.84	-41.59
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008098355	0	39	-1.0	-57.27	309.28	4.31	-52.96
C=CC(C)(CC)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008098356	0	40	-1.0	-51.48	317.52	4.69	-46.79
C=CC(C)(CC)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008098357	0	42	-1.0	-52.62	337.17	3.94	-48.68
C=CC(C)(CC)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008098358	0	35	-1.0	-46.41	298.83	4.74	-41.67
C=CC(C)(CC)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008098359	0	35	-1.0	-49.50	280.20	4.77	-44.73
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008098360	0	38	-1.0	-49.64	310.10	5.33	-44.31
C=CC(C)(CC)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008098361	0	41	-1.0	-49.70	329.01	5.56	-44.14
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008098362	0	39	-1.0	-53.67	314.47	4.29	-49.38
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300008098363	0	39	-1.0	-45.17	319.56	4.24	-40.93
C=CC(C)(CC)NS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300008098364	0	36	-1.0	-47.47	307.56	3.00	-44.47
C=CC(C)(CC)NS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300008098365	0	38	-1.0	-46.76	320.29	5.37	-41.39
C=CC(C)(CC)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008098366	0	40	-1.0	-47.82	318.89	4.88	-42.94
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008098367	0	38	-1.0	-46.34	312.73	5.09	-41.25
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008098368	0	42	-1.0	-48.97	325.17	6.02	-42.95
C=CC(C)(CC)NS(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300008098369	0	38	-1.0	-51.66	309.53	4.20	-47.46
C=CC(C)(CC)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008098370	0	37	-1.0	-44.94	303.01	5.83	-39.11
C=CC(C)(CC)NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008098371	0	38	-1.0	-49.61	319.89	5.75	-43.86
C=CC(C)(CC)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008098372	0	37	-1.0	-39.52	302.50	5.82	-33.70
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008098373	0	39	-1.0	-47.78	313.53	4.06	-43.72
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008098374	0	39	-1.0	-52.81	309.83	4.37	-48.44
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300008098375	0	42	-1.0	-43.34	316.39	4.54	-38.80
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008098376	0	38	-1.0	-49.50	313.33	5.33	-44.17
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008098377	0	38	-1.0	-45.03	320.78	5.22	-39.81
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008098378	0	44	-1.0	-49.49	340.09	6.26	-43.23
C=CC(C)(CC)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008098379	0	41	-1.0	-49.53	322.62	6.76	-42.77
C=CC(C)(CC)NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008098380	0	35	-1.0	-44.64	296.28	5.76	-38.88
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008098381	0	35	-1.0	-49.70	295.17	4.67	-45.03
C=CC(C)(CC)NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300008098382	0	39	-1.0	-49.19	306.48	4.70	-44.49
C=CC(C)(CC)NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300008098383	0	47	-1.0	-49.22	368.01	5.52	-43.70
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008098384	0	37	-2.0	-135.28	312.34	5.43	-129.85
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300008098385	0	42	-1.0	-52.27	330.93	4.41	-47.86
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008098386	0	32	-1.0	-45.31	285.70	3.17	-42.14
C=CC(C)(CC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008098386	1	31	-2.0	-95.58	291.36	3.09	-92.49
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008098387	0	41	-1.0	-49.40	322.25	6.90	-42.50
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OCC	REAL300008098388	0	42	-1.0	-53.74	323.92	5.30	-48.44
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300008098389	0	39	-1.0	-51.69	303.85	4.45	-47.24
C=CC(C)(CC)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008098390	0	41	-1.0	-50.58	327.93	6.49	-44.09
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008098391	0	35	-1.0	-49.25	294.16	4.04	-45.21
C=CC(C)(CC)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008098392	0	41	-1.0	-54.20	322.41	7.74	-46.46
C=CC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008098393	0	38	-1.0	-45.29	310.32	6.06	-39.23
C=CC(C)(CC)NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008098394	0	35	-1.0	-47.49	312.66	4.88	-42.61
C=CC(C)(CC)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008098395	0	38	-1.0	-64.03	312.12	3.51	-60.52
C=CC(C)(CC)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008098396	0	38	-1.0	-45.08	309.13	6.83	-38.25
C=CC(C)(CC)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008098397	0	32	-1.0	-42.75	287.03	4.94	-37.81
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300008098398	0	42	-1.0	-58.31	334.79	5.47	-52.84
C=CC(C)(CC)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008098399	0	42	-1.0	-47.59	330.84	6.39	-41.20
C=CC(C)(CC)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008098400	0	40	-1.0	-53.66	324.70	4.65	-49.01
COCCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300008098401	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	REAL300008098402	0	44	-1.0	-53.39	367.61	4.66	-48.73
COCCC(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300008098403	0	29	-1.0	-51.60	298.92	1.71	-49.89
COCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300008098404	0	39	-1.0	-44.39	323.21	2.58	-41.81
COCCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300008098405	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-]	REAL300008098406	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-]	REAL300008098407	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-]	REAL300008098408	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-]	REAL300008098409	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-]	REAL300008098410	0	35	-1.0	-40.06	319.75	3.52	-36.54
COCCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300008098411	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-]	REAL300008098412	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-]	REAL300008098413	0	48	-1.0	-53.42	391.06	5.86	-47.56
COCCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008098414	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	REAL300008098415	0	38	-1.0	-54.03	332.07	3.50	-50.53
COCCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008098416	0	32	-1.0	-54.21	303.06	2.72	-51.49
COCCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008098417	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-]	REAL300008098418	0	37	-1.0	-48.81	322.70	4.42	-44.39
COCCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008098419	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-]	REAL300008098420	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-]	REAL300008098421	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-]	REAL300008098422	0	35	-1.0	-44.07	317.80	2.86	-41.21
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008098423	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-]	REAL300008098424	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	REAL300008098425	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-]	REAL300008098426	0	41	-1.0	-66.67	373.98	0.28	-66.39
COCCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008098427	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-]	REAL300008098428	0	42	-1.0	-54.33	346.65	2.83	-51.50
COCCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008098429	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-]	REAL300008098430	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-]	REAL300008098431	0	37	-1.0	-47.42	330.94	2.51	-44.91
COCCC(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300008098432	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-]	REAL300008098433	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	REAL300008098434	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-]	REAL300008098435	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-]	REAL300008098436	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-]	REAL300008098437	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-]	REAL300008098438	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-]	REAL300008098439	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-]	REAL300008098440	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-]	REAL300008098441	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-]	REAL300008098442	0	35	-1.0	-54.00	328.41	3.26	-50.74
COCCC(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300008098443	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-]	REAL300008098444	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-]	REAL300008098445	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-]	REAL300008098446	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-]	REAL300008098447	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-]	REAL300008098448	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-]	REAL300008098449	0	35	-1.0	-52.93	321.14	2.94	-49.99
COCCC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300008098450	0	43	-1.0	-46.14	355.25	1.93	-44.21
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1C	REAL300008102001	0	47	-1.0	-56.14	339.22	7.44	-48.70
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1	REAL300008102002	0	44	-1.0	-56.52	329.42	7.16	-49.36
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102003	0	50	-1.0	-61.61	369.83	8.07	-53.54
CC1(C)CC(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300008102004	0	38	-1.0	-59.24	323.24	6.14	-53.10
CC1(C)CC(NS(=O)(=O)C=CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300008102005	0	39	-1.0	-57.36	317.63	6.43	-50.93
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)(C(=O)[O-])C1	REAL300008102006	0	38	-1.0	-41.10	306.94	6.04	-35.06
CC1(C)CC(NS(=O)(=O)C2=CC=CC(Cl)=C2)(C(=O)[O-])C1	REAL300008102007	0	35	-1.0	-57.99	300.91	5.63	-52.36
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102008	0	40	-1.0	-55.02	325.29	5.53	-49.49
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102009	0	41	-1.0	-43.36	322.79	6.10	-37.26
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C	REAL300008102010	0	41	-1.0	-58.14	322.65	6.34	-51.80
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1	REAL300008102011	0	41	-1.0	-43.52	322.83	6.10	-37.42
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1[N+](=O)[O-]	REAL300008102012	0	41	-1.0	-66.12	339.69	5.86	-60.26
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102013	0	47	-1.0	-57.20	360.41	7.45	-49.75
CC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102014	0	44	-1.0	-57.28	344.43	7.06	-50.22
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102015	0	46	-1.0	-58.27	379.71	3.13	-55.14
CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102016	0	44	-1.0	-57.32	348.56	7.34	-49.98
COC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102017	0	39	-1.0	-42.67	299.25	4.76	-37.91
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1Br	REAL300008102018	0	39	-1.0	-58.46	333.92	5.09	-53.37
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1Br	REAL300008102019	0	38	-1.0	-53.72	323.73	6.32	-47.40
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)=C1	REAL300008102020	0	49	-1.0	-56.52	394.65	8.65	-47.87
CC1(C)CC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300008102021	0	39	-1.0	-54.08	330.18	4.92	-49.16
CC1=C(C)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1C	REAL300008102022	0	50	-1.0	-57.97	355.70	7.99	-49.98
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)(C(=O)[O-])C1	REAL300008102023	0	44	-1.0	-59.68	346.88	5.07	-54.61
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102024	0	51	-1.0	-43.42	375.49	7.05	-36.37
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1[N+](=O)[O-]	REAL300008102025	0	40	-1.0	-51.18	328.44	6.31	-44.87
CC1=NNC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102026	0	38	-1.0	-55.47	296.31	2.63	-52.84
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102027	0	39	-1.0	-39.60	320.81	5.34	-34.26
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102028	0	53	-1.0	-55.92	384.21	8.82	-47.10
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300008102029	0	38	-1.0	-52.75	322.91	6.12	-46.63
CC1(C)CC(NS(=O)(=O)C2=CC=C3CCCCC3=C2)(C(=O)[O-])C1	REAL300008102030	0	45	-1.0	-57.60	346.91	7.61	-49.99
COC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102031	0	43	-1.0	-43.83	329.01	4.01	-39.82
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1OC	REAL300008102032	0	43	-1.0	-58.12	342.92	4.32	-53.80
CC1(C)CC(NS(=O)(=O)C2=CC=C3CCCC3=C2)(C(=O)[O-])C1	REAL300008102033	0	42	-1.0	-59.17	329.73	7.03	-52.14
CC1=NOC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102034	0	37	-1.0	-46.79	293.49	3.92	-42.87
CC1(C)CC(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)(C(=O)[O-])C1	REAL300008102035	0	43	-1.0	-58.12	336.14	7.42	-50.70
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCCC3=C2)(C(=O)[O-])C1	REAL300008102036	0	40	-1.0	-56.54	319.96	4.98	-51.56
CC(C)CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102037	0	50	-1.0	-57.31	387.66	8.63	-48.68
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1OCC	REAL300008102038	0	49	-1.0	-58.16	386.63	6.16	-52.00
CC1(C)CC(NS(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)(C(=O)[O-])C1	REAL300008102039	0	40	-1.0	-59.75	338.44	0.08	-59.67
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC([N+](=O)[O-])=C1C	REAL300008102040	0	43	-1.0	-64.06	348.08	6.96	-57.10
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1C	REAL300008102041	0	43	-1.0	-65.93	341.50	7.00	-58.93
CC1(C)CC(NS(=O)(=O)N2CCCCCC2)(C(=O)[O-])C1	REAL300008102042	0	43	-1.0	-40.55	312.57	5.26	-35.29
CC1=CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=C2N=C1	REAL300008102043	0	43	-1.0	-48.55	332.57	6.53	-42.02
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C([N+](=O)[O-])=C1	REAL300008102044	0	41	-1.0	-56.77	327.06	5.84	-50.93
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102045	0	39	-1.0	-39.86	315.96	5.28	-34.58
CC1(C)CC(NS(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)(C(=O)[O-])C1	REAL300008102046	0	40	-1.0	-65.53	338.32	0.07	-65.46
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102047	0	43	-1.0	-57.19	336.41	6.28	-50.91
CC1(C)CC(NS(=O)(=O)N2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300008102048	0	44	-1.0	-43.54	337.89	6.59	-36.95
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CN=C12	REAL300008102049	0	43	-1.0	-57.89	335.45	6.17	-51.72
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C	REAL300008102050	0	43	-1.0	-59.12	336.42	7.65	-51.47
CC1CCN(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300008102051	0	43	-1.0	-40.90	320.14	5.07	-35.83
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102052	0	46	-1.0	-65.06	376.45	3.01	-62.05
CC1(C)CC(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)(C(=O)[O-])C1	REAL300008102053	0	47	-1.0	-57.75	370.47	4.38	-53.37
CC1(C)CC(NS(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)(C(=O)[O-])C1	REAL300008102054	0	41	-1.0	-67.69	344.77	2.64	-65.05
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300008102055	0	45	-1.0	-65.45	351.59	8.54	-56.91
CC1CC(C)CN(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300008102056	0	46	-1.0	-41.57	342.47	5.68	-35.89
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300008102057	0	41	-1.0	-60.37	320.30	7.24	-53.13
CC1(C)CC(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)(C(=O)[O-])C1	REAL300008102058	0	45	-1.0	-57.90	358.33	8.54	-49.36
CC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102059	0	38	-1.0	-42.15	307.77	5.51	-36.64
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=CC=C12	REAL300008102060	0	49	-1.0	-46.18	378.98	6.61	-39.57
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=NSN=C32)(C(=O)[O-])C1	REAL300008102061	0	36	-1.0	-45.38	297.70	3.28	-42.10
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102062	0	39	-1.0	-39.67	316.27	5.24	-34.43
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102063	0	39	-1.0	-62.18	313.68	4.41	-57.77
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102064	0	50	-1.0	-57.28	374.64	7.92	-49.36
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1Cl	REAL300008102065	0	38	-1.0	-53.52	319.66	6.23	-47.29
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102066	0	45	-1.0	-55.78	353.89	5.99	-49.79
CCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102067	0	41	-1.0	-59.91	312.29	6.56	-53.35
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CN1C	REAL300008102068	0	38	-1.0	-59.27	307.90	3.80	-55.47
CC1(C)CC(NS(=O)(=O)CC2=CC=CC(Cl)=C2)(C(=O)[O-])C1	REAL300008102069	0	38	-1.0	-43.11	324.52	5.89	-37.22
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=NON=C32)(C(=O)[O-])C1	REAL300008102070	0	36	-1.0	-48.92	291.88	3.54	-45.38
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])(C(=O)[O-])C1	REAL300008102071	0	40	-1.0	-52.90	335.98	7.40	-45.50
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=CC=CN=C32)(C(=O)[O-])C1	REAL300008102072	0	40	-1.0	-47.80	310.97	5.86	-41.94
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102073	0	41	-1.0	-38.87	327.45	5.43	-33.44
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1F	REAL300008102074	0	39	-1.0	-59.75	319.74	4.49	-55.26
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1F	REAL300008102075	0	38	-1.0	-53.12	310.92	5.82	-47.30
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102076	0	41	-1.0	-58.90	329.76	6.64	-52.26
CC1CCCCN1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102077	0	43	-1.0	-57.68	311.51	5.52	-52.16
CCCN(CCC)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102078	0	45	-1.0	-41.72	340.34	5.36	-36.36
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CC=C12	REAL300008102079	0	51	-1.0	-47.89	392.93	7.79	-40.10
CC1(C)CC(NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)(C(=O)[O-])C1	REAL300008102080	0	38	-1.0	-38.82	339.71	6.35	-32.47
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CC=C12	REAL300008102081	0	45	-1.0	-47.64	353.89	6.11	-41.53
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102082	0	40	-1.0	-38.91	329.68	6.10	-32.81
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102083	0	40	-1.0	-40.06	321.69	5.93	-34.13
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102084	0	43	-1.0	-65.94	340.42	7.23	-58.71
CC(C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102085	0	47	-1.0	-57.54	365.27	7.80	-49.74
COCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102086	0	45	-1.0	-57.33	360.77	5.64	-51.69
COCCN(CCOC)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102087	0	47	-1.0	-42.36	360.08	2.87	-39.49
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102088	0	38	-1.0	-41.12	318.10	5.95	-35.17
COC1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C	REAL300008102089	0	45	-1.0	-56.55	355.30	5.93	-50.62
CC(C)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102090	0	51	-1.0	-55.12	396.11	7.45	-47.67
CC1(C)CC(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)(C(=O)[O-])C1	REAL300008102091	0	49	-1.0	-56.57	378.50	7.35	-49.22
CC(C)COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102092	0	48	-1.0	-55.34	377.00	6.84	-48.50
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102093	0	45	-1.0	-55.42	357.04	6.15	-49.27
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1Cl	REAL300008102094	0	39	-1.0	-58.66	329.55	4.98	-53.68
CC1(C)CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)(C(=O)[O-])C1	REAL300008102095	0	39	-1.0	-56.39	339.46	5.24	-51.15
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C	REAL300008102096	0	42	-1.0	-57.74	333.79	5.18	-52.56
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1OC(C)C	REAL300008102097	0	48	-1.0	-57.06	374.86	6.79	-50.27
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1	REAL300008102098	0	42	-1.0	-58.33	324.81	5.05	-53.28
COCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102099	0	46	-1.0	-57.42	369.17	4.62	-52.80
CC1(C)CC(NS(=O)(=O)CC2=CC=CC=C2F)(C(=O)[O-])C1	REAL300008102100	0	38	-1.0	-57.98	313.67	6.00	-51.98
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102101	0	38	-1.0	-39.91	322.75	6.06	-33.85
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1C	REAL300008102102	0	43	-1.0	-45.66	334.80	7.46	-38.20
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102103	0	44	-1.0	-67.67	354.31	3.27	-64.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102104	0	43	-1.0	-58.45	360.79	1.29	-57.16
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102105	0	43	-1.0	-51.92	341.55	2.71	-49.21
CC1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300008102106	0	37	-1.0	-39.76	305.65	2.85	-36.91
CC1(C)CC(NS(=O)(=O)C2=CSC3=CC=CC=C23)(C(=O)[O-])C1	REAL300008102107	0	38	-1.0	-56.30	315.63	6.31	-49.99
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1F	REAL300008102108	0	39	-1.0	-53.59	319.91	4.49	-49.10
CC1(C)CC(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300008102109	0	45	-1.0	-63.29	358.26	8.53	-54.76
CC1(C)CC(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)(C(=O)[O-])C1	REAL300008102110	0	38	-1.0	-55.66	341.82	6.97	-48.69
CC1(C)CC(NS(=O)(=O)CC2CCCCC2)(C(=O)[O-])C1	REAL300008102111	0	44	-1.0	-41.57	327.24	5.81	-35.76
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)S2)=CS1	REAL300008102112	0	41	-1.0	-56.95	363.11	5.64	-51.31
CC1(C)CC(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300008102113	0	55	-1.0	-54.96	418.62	8.74	-46.22
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102114	0	43	-1.0	-48.13	332.33	6.52	-41.61
CNC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CN1C	REAL300008102115	0	43	-1.0	-57.54	348.16	2.80	-54.74
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1	REAL300008102116	0	45	-1.0	-42.92	338.73	5.38	-37.54
CC1(C)CC(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)(C(=O)[O-])C1	REAL300008102117	0	46	-1.0	-58.13	368.28	9.24	-48.89
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C	REAL300008102118	0	45	-1.0	-44.60	350.99	5.47	-39.13
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CN=C2C=C1	REAL300008102119	0	43	-1.0	-53.77	328.96	6.15	-47.62
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)(C(=O)[O-])C1	REAL300008102120	0	40	-1.0	-45.05	321.14	4.98	-40.07
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1)=C2	REAL300008102121	0	48	-1.0	-64.29	383.92	8.97	-55.32
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C([N+](=O)[O-])=N1	REAL300008102122	0	40	-1.0	-53.49	330.61	5.78	-47.71
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C([N+](=O)[O-])=N1	REAL300008102122	1	39	-2.0	-129.94	331.73	5.93	-124.01
CC1(C)CC(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300008102123	0	42	-1.0	-55.78	355.12	5.81	-49.97
CC1(C)CC(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)(C(=O)[O-])C1	REAL300008102124	0	49	-1.0	-56.46	395.30	8.40	-48.06
CCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102125	0	43	-1.0	-73.05	347.30	6.39	-66.66
CC1(C)CC(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)(C(=O)[O-])C1	REAL300008102126	0	45	-1.0	-53.42	370.50	6.60	-46.82
CC1(C)CC(NS(=O)(=O)C2=CN=C3NC=CC=C23)(C(=O)[O-])C1	REAL300008102127	0	38	-1.0	-76.90	312.04	4.23	-72.67
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102128	0	57	-1.0	-42.21	418.62	7.96	-34.25
CC1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102129	0	41	-1.0	-45.18	329.19	6.05	-39.13
CC1(C)CC(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)(C(=O)[O-])C1	REAL300008102130	0	43	-1.0	-64.75	357.74	1.83	-62.92
CC1(C)CC(NS(=O)(=O)CC2=CC=CC(F)=C2)(C(=O)[O-])C1	REAL300008102131	0	38	-1.0	-43.69	314.20	5.45	-38.24
CC1=CC=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102132	0	41	-1.0	-59.13	323.93	6.54	-52.59
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CC=C12	REAL300008102133	0	48	-1.0	-47.55	375.75	7.04	-40.51
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102134	0	45	-1.0	-62.66	351.75	6.63	-56.03
CC1(C)CC(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)(C(=O)[O-])C1	REAL300008102135	0	40	-1.0	-75.51	332.34	5.30	-70.21
CC1(C)CC(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)(C(=O)[O-])C1	REAL300008102136	0	42	-1.0	-54.53	345.10	6.16	-48.37
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102137	0	49	-1.0	-57.41	391.02	5.59	-51.82
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102138	0	51	-1.0	-55.15	400.04	7.71	-47.44
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C2CCCC3)(C(=O)[O-])C1	REAL300008102139	0	45	-1.0	-44.16	339.04	7.17	-36.99
CC1(C)CC(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)(C(=O)[O-])C1	REAL300008102140	0	41	-1.0	-56.81	333.19	7.04	-49.77
CC1(C)CC(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300008102141	0	39	-1.0	-55.38	340.57	6.58	-48.80
CC1(C)CC(NS(=O)(=O)C2=CC=C3COCC3=C2)(C(=O)[O-])C1	REAL300008102142	0	40	-1.0	-57.62	320.15	4.41	-53.21
CC1(C)CC(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)(C(=O)[O-])C1	REAL300008102143	0	43	-1.0	-53.92	347.30	5.95	-47.97
CC1(C)CC(NS(=O)(=O)C2CCS(=O)(=O)CC2)(C(=O)[O-])C1	REAL300008102144	0	41	-1.0	-44.77	328.96	1.21	-43.56
CC1(C)CC(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)(C(=O)[O-])C1	REAL300008102145	0	40	-1.0	-55.53	332.47	5.30	-50.23
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1	REAL300008102146	0	45	-1.0	-57.98	346.66	5.98	-52.00
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102147	0	43	-1.0	-58.17	360.84	1.31	-56.86
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2OC(F)F)(C(=O)[O-])C1	REAL300008102148	0	39	-1.0	-42.51	306.93	4.92	-37.59
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102149	0	39	-1.0	-55.39	324.39	6.14	-49.25
CCCCCCCS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102150	0	46	-1.0	-57.32	356.52	6.82	-50.50
CC1(C)CC(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300008102151	0	41	-1.0	-43.33	346.52	6.38	-36.95
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102152	0	46	-1.0	-57.96	353.00	7.35	-50.61
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)N=C1C	REAL300008102153	0	41	-1.0	-68.32	330.82	5.30	-63.02
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C2OCCO3)(C(=O)[O-])C1	REAL300008102154	0	41	-1.0	-46.85	328.30	4.29	-42.56
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)(C(=O)[O-])C1	REAL300008102155	0	40	-1.0	-57.22	315.43	5.34	-51.88
CC1(C)CC(NS(=O)(=O)CC2CCCCO2)(C(=O)[O-])C1	REAL300008102156	0	42	-1.0	-62.39	323.80	4.05	-58.34
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C(F)(F)F	REAL300008102157	0	41	-1.0	-52.57	338.66	6.66	-45.91
CC1(C)CC(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)(C(=O)[O-])C1	REAL300008102158	0	41	-1.0	-53.32	357.15	5.88	-47.44
CC1(C)CC(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)(C(=O)[O-])C1	REAL300008102159	0	44	-1.0	-61.10	348.85	6.72	-54.38
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C12	REAL300008102160	0	43	-1.0	-52.38	350.57	4.85	-47.53
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102161	0	42	-1.0	-59.77	353.25	5.85	-53.92
COCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102162	0	42	-1.0	-60.63	339.11	4.85	-55.78
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)(C(=O)[O-])C1	REAL300008102163	0	46	-1.0	-46.39	350.73	6.37	-40.02
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300008102164	0	38	-1.0	-53.28	310.62	3.60	-49.68
CC1(C)CC(NS(=O)(=O)CC2=CC=CC=C2Cl)(C(=O)[O-])C1	REAL300008102165	0	38	-1.0	-57.13	321.91	6.41	-50.72
CC1(C)CC(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300008102166	0	42	-1.0	-56.09	354.35	5.76	-50.33
CC(C1CC1)N(C)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102167	0	43	-1.0	-54.68	318.07	5.34	-49.34
CC1(C)CC(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)(C(=O)[O-])C1	REAL300008102168	0	43	-1.0	-58.73	342.06	5.70	-53.03
CC1(C)CC(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)(C(=O)[O-])C1	REAL300008102169	0	38	-1.0	-58.13	335.78	6.84	-51.29
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C2O1	REAL300008102170	0	43	-1.0	-57.02	341.09	5.72	-51.30
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102171	0	47	-1.0	-56.73	332.07	7.68	-49.05
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102172	0	47	-1.0	-53.65	373.19	3.54	-50.11
CC1(C)CC(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)(C(=O)[O-])C1	REAL300008102173	0	41	-1.0	-51.06	352.20	5.42	-45.64
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)=CO1	REAL300008102174	0	44	-1.0	-57.83	360.44	4.18	-53.65
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C(F)(F)F)=N1	REAL300008102175	0	38	-1.0	-42.79	321.84	3.18	-39.61
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C(C(F)(F)F)=N1	REAL300008102175	1	37	-2.0	-126.32	320.62	3.98	-122.34
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C(C)O1	REAL300008102176	0	38	-1.0	-59.08	302.72	4.50	-54.58
CC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102177	0	35	-1.0	-57.11	297.26	4.74	-52.37
CC1(C)CC(NS(=O)(=O)C2=CC3=CC=CC=C3O2)(C(=O)[O-])C1	REAL300008102178	0	38	-1.0	-61.25	315.09	5.73	-55.52
CC1(C)CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)(C(=O)[O-])C1	REAL300008102178	1	37	-2.0	-134.33	317.02	5.71	-128.62
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCOC3=C2)(C(=O)[O-])C1	REAL300008102179	0	38	-1.0	-53.18	310.11	3.78	-49.40
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300008102180	0	38	-1.0	-52.20	311.23	1.81	-50.39
CC1(C)CC(NS(=O)(=O)C2=CN=C3CCCN23)(C(=O)[O-])C1	REAL300008102181	0	39	-1.0	-60.82	312.62	4.44	-56.38
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)SC=C1	REAL300008102182	0	35	-1.0	-58.76	291.95	4.91	-53.85
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)(C(=O)[O-])C1	REAL300008102183	0	43	-1.0	-57.96	337.88	5.74	-52.22
CC1(C)CC(NS(=O)(=O)C2CC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300008102184	0	42	-1.0	-46.16	332.32	6.64	-39.52
CC1=CC=C(N2C=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=N2)C=C1	REAL300008102185	0	45	-1.0	-57.74	366.52	6.82	-50.92
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC(Cl)=C2O1	REAL300008102186	0	43	-1.0	-57.85	357.82	6.24	-51.61
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1[N+](=O)[O-]	REAL300008102187	0	40	-1.0	-50.73	328.24	6.30	-44.43
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300008102188	0	46	-1.0	-56.73	371.92	5.80	-50.93
CC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102189	0	38	-1.0	-44.98	306.21	2.68	-42.30
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)N(C)N=C1	REAL300008102190	0	38	-1.0	-50.49	297.31	3.30	-47.19
CC1(C)CC(NS(=O)(=O)C2=CN=C3C=CSC3=C2)(C(=O)[O-])C1	REAL300008102191	0	37	-1.0	-54.64	316.20	4.62	-50.02
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102192	0	43	-1.0	-59.18	335.69	5.52	-53.66
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2C=C1	REAL300008102193	0	44	-1.0	-58.37	351.32	8.05	-50.32
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)SC=C1	REAL300008102194	0	36	-1.0	-49.06	305.45	3.35	-45.71
CN(C)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102195	0	43	-1.0	-60.02	336.58	5.54	-54.48
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C2OCC3)(C(=O)[O-])C1	REAL300008102196	0	40	-1.0	-46.18	321.41	4.41	-41.77
CC1(C)CC(NS(=O)(=O)CC2=NOC3=CC=CC=C32)(C(=O)[O-])C1	REAL300008102197	0	40	-1.0	-57.82	331.71	5.31	-52.51
CC1(C)CC(NS(=O)(=O)C2=CC=C3CCOC3=C2)(C(=O)[O-])C1	REAL300008102198	0	40	-1.0	-62.85	319.87	4.97	-57.88
CC1(C)CC(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)(C(=O)[O-])C1	REAL300008102199	0	41	-1.0	-56.13	346.98	7.24	-48.89
CN1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C21	REAL300008102200	0	47	-1.0	-57.36	358.16	5.70	-51.66
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)(C(=O)[O-])C1	REAL300008102201	0	37	-1.0	-48.72	319.56	4.44	-44.28
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102202	0	43	-1.0	-63.76	337.63	5.46	-58.30
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102203	0	43	-1.0	-51.34	338.55	6.92	-44.42
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1[N+](=O)[O-]	REAL300008102204	0	43	-1.0	-74.20	335.91	7.89	-66.31
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1[N+](=O)[O-]	REAL300008102205	0	43	-1.0	-65.82	341.21	7.06	-58.76
COC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102206	0	45	-1.0	-57.69	359.75	6.02	-51.67
COC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102207	0	38	-1.0	-56.23	308.83	2.60	-53.63
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300008102208	0	44	-1.0	-58.27	356.67	6.74	-51.53
CC1(C)CC(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)(C(=O)[O-])C1	REAL300008102209	0	42	-1.0	-57.34	333.38	7.22	-50.12
COC1=CC(OC)=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102210	0	43	-1.0	-60.15	343.46	3.74	-56.41
CC1(C)CC(NS(=O)(=O)CCC2CCCCC2)(C(=O)[O-])C1	REAL300008102211	0	47	-1.0	-41.65	349.81	6.34	-35.31
CC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102212	0	44	-1.0	-57.13	351.26	7.43	-49.70
CC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1)OCO2	REAL300008102213	0	41	-1.0	-60.46	320.03	4.40	-56.06
CC1(C)CC(NS(=O)(=O)C2=C3OC=CC3=CC=C2)(C(=O)[O-])C1	REAL300008102214	0	38	-1.0	-46.09	302.18	5.17	-40.92
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1Cl	REAL300008102215	0	39	-1.0	-53.34	329.72	4.97	-48.37
CC1(C)CC(NS(=O)(=O)CCC2CCCC2)(C(=O)[O-])C1	REAL300008102216	0	44	-1.0	-56.59	334.57	6.36	-50.23
CN1C=NC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C21	REAL300008102217	0	41	-1.0	-68.47	332.48	6.46	-62.01
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=NC=CC=C2C=C1	REAL300008102218	0	43	-1.0	-70.59	335.09	6.71	-63.88
CC1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2O1	REAL300008102219	0	40	-1.0	-58.20	327.67	2.78	-55.42
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1CC	REAL300008102220	0	47	-1.0	-58.75	361.26	7.69	-51.06
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102221	0	43	-1.0	-39.02	337.47	6.75	-32.27
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102222	0	45	-1.0	-61.98	343.84	6.56	-55.42
CC1=C(C)SC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102223	0	38	-1.0	-58.31	317.32	5.50	-52.81
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=CN=C2N)(C(=O)[O-])C1	REAL300008102224	0	36	-1.0	-41.28	307.41	1.97	-39.31
CC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300008102225	0	34	-1.0	-54.22	292.27	2.94	-51.28
CCC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300008102226	0	37	-1.0	-53.87	313.76	3.69	-50.18
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(N)=NO1	REAL300008102227	0	36	-1.0	-50.79	291.92	2.04	-48.75
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C(N)=NO1	REAL300008102227	1	35	-2.0	-119.38	294.79	2.66	-116.72
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300008102228	0	42	-1.0	-55.76	334.26	4.94	-50.82
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300008102229	0	38	-1.0	-45.57	314.46	5.23	-40.34
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)(C(=O)[O-])C1	REAL300008102230	0	41	-1.0	-42.33	332.43	6.48	-35.85
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C2OCO3)(C(=O)[O-])C1	REAL300008102231	0	38	-1.0	-43.92	311.97	3.20	-40.72
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC(C)=C1F	REAL300008102232	0	41	-1.0	-53.41	331.05	6.47	-46.94
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)(C(=O)[O-])C1	REAL300008102233	0	42	-1.0	-57.60	340.17	4.88	-52.72
CC1(C)CC(NS(=O)(=O)CCCOCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300008102234	0	48	-1.0	-60.36	385.96	6.78	-53.58
CC1(C)CC(NS(=O)(=O)C2=CNC3=CC=CC(F)=C32)(C(=O)[O-])C1	REAL300008102235	0	39	-1.0	-60.47	317.27	4.98	-55.49
CC1(C)CC(NS(=O)(=O)C2=C3N=CSC3=CC=C2)(C(=O)[O-])C1	REAL300008102236	0	37	-1.0	-61.30	313.13	4.81	-56.49
CC1=NC(CS(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CS1	REAL300008102237	0	37	-1.0	-63.85	315.48	3.63	-60.22
COC(CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CC1	REAL300008102238	0	42	-1.0	-57.10	328.40	4.91	-52.19
CC1(C)CC(NS(=O)(=O)CC2=CC=C(Cl)C=C2)(C(=O)[O-])C1	REAL300008102239	0	38	-1.0	-56.65	325.09	6.48	-50.17
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1Cl	REAL300008102240	0	38	-1.0	-53.87	319.69	6.24	-47.63
CC1(C)CC(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)(C(=O)[O-])C1	REAL300008102241	0	41	-1.0	-59.69	332.29	6.11	-53.58
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)=N1	REAL300008102242	0	44	-1.0	-58.12	370.28	6.59	-51.53
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C2OCCC3)(C(=O)[O-])C1	REAL300008102243	0	43	-1.0	-46.60	337.32	5.91	-40.69
CC1(C)CC(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)(C(=O)[O-])C1	REAL300008102244	0	42	-1.0	-63.01	349.29	2.98	-60.03
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)(C(=O)[O-])C1	REAL300008102245	0	44	-1.0	-49.65	335.26	5.37	-44.28
CC1(C)CC(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)(C(=O)[O-])C1	REAL300008102246	0	38	-1.0	-42.98	328.16	5.91	-37.07
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102247	0	48	-1.0	-63.26	376.19	6.89	-56.37
COC(CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CCCC1	REAL300008102248	0	48	-1.0	-42.70	357.69	5.05	-37.65
COC(CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CCCCC1	REAL300008102249	0	51	-1.0	-61.50	374.28	6.64	-54.86
CC1(C)CC(NS(=O)(=O)C2COC(C)(C)C2)(C(=O)[O-])C1	REAL300008102250	0	42	-1.0	-43.74	323.71	3.32	-40.42
CCOC(CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CC1	REAL300008102251	0	45	-1.0	-57.29	348.34	5.99	-51.30
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C(C)C	REAL300008102252	0	54	-1.0	-57.52	415.52	8.17	-49.35
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CN1CC1CC1	REAL300008102253	0	48	-1.0	-67.85	383.97	7.45	-60.40
CC1(C)CC(NS(=O)(=O)C2=CN=C(C3CC3)S2)(C(=O)[O-])C1	REAL300008102254	0	38	-1.0	-43.45	324.14	4.17	-39.28
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1[N+](=O)[O-]	REAL300008102255	0	43	-1.0	-52.13	344.22	7.29	-44.84
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102256	0	42	-1.0	-51.68	328.11	5.25	-46.43
CC1(C)CC(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300008102257	0	48	-1.0	-53.55	386.32	7.32	-46.23
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102258	0	38	-1.0	-43.59	328.00	3.13	-40.46
CC1(C)CC(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300008102259	0	46	-1.0	-55.58	385.06	9.23	-46.35
CC1(C)CC(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)(C(=O)[O-])C1	REAL300008102260	0	45	-1.0	-49.66	350.74	7.82	-41.84
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C(C)C=C1OC	REAL300008102261	0	48	-1.0	-59.97	364.78	6.52	-53.45
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300008102262	0	36	-2.0	-145.09	314.35	4.03	-141.06
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300008102262	1	37	-1.0	-68.24	303.24	3.38	-64.86
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CC=C2C=C1	REAL300008102263	0	44	-1.0	-62.05	333.73	8.02	-54.03
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300008102264	0	44	-1.0	-52.35	353.37	3.67	-48.68
COC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102265	0	39	-1.0	-46.38	308.91	5.33	-41.05
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C(C)C	REAL300008102266	0	51	-1.0	-57.97	394.02	7.37	-50.60
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1F	REAL300008102267	0	47	-1.0	-52.60	362.42	7.37	-45.23
CC1(C)CC(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300008102268	0	54	-1.0	-58.24	410.21	9.77	-48.47
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102269	0	45	-1.0	-52.26	341.50	5.39	-46.87
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C(C)(C)C)=N1	REAL300008102270	0	47	-1.0	-48.75	357.13	4.71	-44.04
CC1(C)CC(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)(C(=O)[O-])C1	REAL300008102271	0	45	-1.0	-57.11	351.51	5.40	-51.71
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102272	0	38	-1.0	-44.60	313.18	4.00	-40.60
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102273	0	42	-1.0	-59.85	342.93	5.40	-54.45
C=CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102274	0	45	-1.0	-57.21	361.41	7.91	-49.30
CCC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102275	0	41	-1.0	-55.17	324.65	3.97	-51.20
CCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C(C)C	REAL300008102276	0	57	-1.0	-55.11	437.02	8.95	-46.16
CC1(C)CC(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)(C(=O)[O-])C1	REAL300008102277	0	39	-1.0	-55.54	334.68	6.95	-48.59
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C(C)(C)C	REAL300008102278	0	57	-1.0	-55.54	428.19	8.83	-46.71
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1CC	REAL300008102279	0	51	-1.0	-57.18	398.70	7.64	-49.54
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102280	0	41	-1.0	-39.53	325.98	6.59	-32.94
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102281	0	41	-1.0	-40.57	343.67	6.66	-33.91
CC1(C)CC(NS(=O)(=O)C=CC2=CC=CC=C2Cl)(C(=O)[O-])C1	REAL300008102282	0	39	-1.0	-57.12	332.19	6.86	-50.26
CCCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102283	0	44	-1.0	-60.37	333.97	7.35	-53.02
COC1=NC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102284	0	38	-1.0	-44.99	297.06	2.04	-42.95
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102285	0	51	-1.0	-58.37	393.34	7.61	-50.76
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)(C(=O)[O-])C1	REAL300008102286	0	40	-1.0	-58.40	315.49	5.31	-53.09
CC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)N1C	REAL300008102287	0	38	-1.0	-50.63	305.80	3.38	-47.25
CC1=CSC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102288	0	38	-1.0	-52.71	304.22	5.58	-47.13
CC1(C)CC(NS(=O)(=O)C2=CN(C3CCC3)N=C2)(C(=O)[O-])C1	REAL300008102289	0	42	-1.0	-52.46	334.14	4.74	-47.72
CC1(C)CC(NS(=O)(=O)C2=CC=NN2C2CCC2)(C(=O)[O-])C1	REAL300008102290	0	42	-1.0	-47.15	333.55	4.41	-42.74
CC1(C)CC(NS(=O)(=O)C2=CC=NN2CC2CCC2)(C(=O)[O-])C1	REAL300008102291	0	45	-1.0	-56.17	346.99	5.42	-50.75
CC1(C)CC(NS(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)(C(=O)[O-])C1	REAL300008102292	0	46	-1.0	-44.64	344.06	2.93	-41.71
CC1(C)CC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300008102293	0	41	-1.0	-56.04	350.57	6.01	-50.03
CC1(C)CC(NS(=O)(=O)C2=CN=C3CCCCN23)(C(=O)[O-])C1	REAL300008102294	0	42	-1.0	-58.74	326.16	5.11	-53.63
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C	REAL300008102295	0	51	-1.0	-44.82	384.83	6.58	-38.24
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102296	0	45	-1.0	-62.33	353.07	6.61	-55.72
CC1CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=C2O1	REAL300008102297	0	43	-1.0	-46.48	331.43	5.84	-40.64
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300008102298	0	43	-1.0	-54.12	352.43	4.77	-49.35
CC1(C)CC(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)(C(=O)[O-])C1	REAL300008102299	0	41	-1.0	-58.08	335.45	5.51	-52.57
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102300	0	40	-1.0	-64.66	319.33	4.35	-60.31
CCN1N=NC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102301	0	37	-1.0	-51.22	298.02	2.33	-48.89
CC1(C)CC(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)(C(=O)[O-])C1	REAL300008102302	0	44	-1.0	-41.19	324.83	5.12	-36.07
CC1(C)CC(NS(=O)(=O)C2=CC3=NON=C3C=C2)(C(=O)[O-])C1	REAL300008102303	0	36	-1.0	-53.16	298.93	3.90	-49.26
CC1(C)CC(NS(=O)(=O)C2=CC3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300008102304	0	38	-1.0	-59.69	322.46	6.52	-53.17
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102305	0	42	-1.0	-47.83	336.99	4.30	-43.53
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1F	REAL300008102306	0	44	-1.0	-50.92	333.49	7.24	-43.68
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1OC	REAL300008102307	0	43	-1.0	-48.55	331.90	4.90	-43.65
CC1(C)CC(NS(=O)(=O)C2=COC3=CC=CC=C23)(C(=O)[O-])C1	REAL300008102308	0	38	-1.0	-44.98	303.30	4.50	-40.48
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C2CCCC2)=N1	REAL300008102309	0	48	-1.0	-45.53	369.73	5.32	-40.21
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102310	0	47	-1.0	-57.77	357.90	5.45	-52.32
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=N1	REAL300008102311	0	47	-1.0	-44.90	370.73	5.08	-39.82
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C2CC2)=N1	REAL300008102312	0	42	-1.0	-47.08	343.30	4.44	-42.64
CC1(C)CC(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)(C(=O)[O-])C1	REAL300008102313	0	39	-1.0	-59.27	323.29	4.70	-54.57
CN1N=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=CC=C21	REAL300008102314	0	40	-1.0	-54.61	318.81	3.30	-51.31
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1Br	REAL300008102315	0	41	-1.0	-60.72	334.89	6.91	-53.81
CC1(C)CC(NS(=O)(=O)N2CCCC(C)(C)C2)(C(=O)[O-])C1	REAL300008102316	0	46	-1.0	-56.42	340.17	6.00	-50.42
CC1(C)CC(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)(C(=O)[O-])C1	REAL300008102317	0	41	-1.0	-51.96	349.60	6.15	-45.81
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C2CCC2)=N1	REAL300008102318	0	45	-1.0	-45.87	355.17	4.88	-40.99
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102319	0	53	-1.0	-44.16	395.53	8.47	-35.69
CC1(C)CC(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)(C(=O)[O-])C1	REAL300008102320	0	45	-1.0	-59.48	358.55	5.67	-53.81
CC1(C)CC(NS(=O)(=O)C2=C(C3CC3)C=CS2)(C(=O)[O-])C1	REAL300008102321	0	39	-1.0	-42.35	317.29	5.44	-36.91
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)(C(=O)[O-])C1	REAL300008102322	0	46	-1.0	-61.37	379.25	8.09	-53.28
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=NC=CC=C2C=C1	REAL300008102323	0	44	-1.0	-74.09	348.13	6.35	-67.74
CCCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102324	0	44	-1.0	-59.16	348.44	7.34	-51.82
CN1N=C2CCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102325	0	42	-1.0	-53.82	327.29	4.43	-49.39
CC1(C)CC(NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)(C(=O)[O-])C1	REAL300008102326	0	41	-1.0	-41.58	309.35	4.62	-36.96
CC1=CC=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102327	0	41	-1.0	-55.63	305.59	6.39	-49.24
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102328	0	44	-1.0	-55.69	331.41	4.52	-51.17
CC(C)(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300008102329	0	44	-1.0	-58.75	349.06	4.74	-54.01
CC1(C)CC(NS(=O)(=O)C2=CNN=C2C2CCC2)(C(=O)[O-])C1	REAL300008102330	0	42	-1.0	-43.78	335.84	3.63	-40.15
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CN=C1C(F)(F)F	REAL300008102331	0	40	-1.0	-53.46	334.84	4.85	-48.61
CC1(C)CC(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300008102332	0	38	-1.0	-52.02	329.95	6.21	-45.81
CC1=NN(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102333	0	38	-1.0	-47.01	308.57	2.73	-44.28
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1C	REAL300008102334	0	41	-1.0	-43.36	318.23	5.96	-37.40
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102335	0	46	-1.0	-72.95	368.80	7.16	-65.79
CC1(C)CC(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)(C(=O)[O-])C1	REAL300008102336	0	46	-1.0	-60.45	348.09	7.91	-52.54
CC1(C)CC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)(C(=O)[O-])C1	REAL300008102337	0	41	-1.0	-54.38	342.05	6.02	-48.36
CC1(C)CC(NS(=O)(=O)N2CC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300008102338	0	41	-1.0	-43.80	323.86	5.70	-38.10
CC1(C)CC(NS(=O)(=O)CC2=NOC3=C2COCC3)(C(=O)[O-])C1	REAL300008102339	0	42	-1.0	-46.97	336.73	3.04	-43.93
CC1(C)CC(NS(=O)(=O)C2=CSC=C2C(F)(F)F)(C(=O)[O-])C1	REAL300008102340	0	35	-1.0	-38.88	301.36	4.90	-33.98
CC1(C)CC(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)(C(=O)[O-])C1	REAL300008102341	0	42	-1.0	-59.45	333.29	7.23	-52.22
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=CS1	REAL300008102342	0	36	-1.0	-40.24	290.70	3.79	-36.45
CC1(C)CC(NS(=O)(=O)C2=CC=NN2C2CCCC2)(C(=O)[O-])C1	REAL300008102343	0	45	-1.0	-47.42	351.02	5.12	-42.30
CCC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102344	0	44	-1.0	-53.39	340.55	4.81	-48.58
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)O1	REAL300008102345	0	38	-1.0	-47.12	312.10	4.69	-42.43
CN(C1CCCCCC1)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102346	0	49	-1.0	-54.72	342.93	6.24	-48.48
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C2CCOCC2)=N1	REAL300008102347	0	49	-1.0	-44.97	379.32	3.54	-41.43
CC(F)(F)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1	REAL300008102348	0	41	-1.0	-60.32	337.26	6.65	-53.67
CC1(C)CC(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)(C(=O)[O-])C1	REAL300008102349	0	39	-1.0	-59.09	323.29	4.70	-54.39
CC1(C)CC(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300008102350	0	50	-1.0	-57.38	378.76	8.23	-49.15
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300008102351	0	36	-1.0	-55.97	307.42	3.52	-52.45
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=NC=CC=C12	REAL300008102352	0	46	-1.0	-69.09	354.12	7.43	-61.66
CC1(C)CC(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)(C(=O)[O-])C1	REAL300008102353	0	43	-1.0	-37.37	336.69	5.38	-31.99
CC1(C)CC(NS(=O)(=O)C2=CN(CCF)N=C2)(C(=O)[O-])C1	REAL300008102354	0	38	-1.0	-52.40	317.28	3.75	-48.65
CCOCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102355	0	45	-1.0	-60.92	360.96	5.82	-55.10
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102356	0	45	-1.0	-50.13	366.07	5.68	-44.45
CC1(C)CC(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)(C(=O)[O-])C1	REAL300008102357	0	48	-1.0	-57.49	370.93	5.98	-51.51
CC1(C)CC(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)(C(=O)[O-])C1	REAL300008102358	0	46	-1.0	-55.00	372.56	7.98	-47.02
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2CF)(C(=O)[O-])C1	REAL300008102359	0	38	-1.0	-41.49	305.03	5.54	-35.95
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC(C)=C1Br	REAL300008102360	0	41	-1.0	-54.01	341.71	6.87	-47.14
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CC=C12	REAL300008102361	0	44	-1.0	-61.07	337.89	7.76	-53.31
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C2=CC=CC=C2)=N1	REAL300008102362	0	45	-1.0	-56.39	357.00	6.34	-50.05
CC1(C)CC(NS(=O)(=O)C=CC2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300008102363	0	39	-1.0	-56.20	324.05	6.49	-49.71
CC1(C)CC(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)(C(=O)[O-])C1	REAL300008102364	0	39	-1.0	-55.48	339.24	7.04	-48.44
CC1(C)CC(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)(C(=O)[O-])C1	REAL300008102365	0	39	-1.0	-55.55	338.93	7.05	-48.50
CC1(C)CC(NS(=O)(=O)CCC2NC(=O)NC2=O)(C(=O)[O-])C1	REAL300008102366	0	40	-1.0	-62.11	327.80	-0.80	-62.91
CC1(C)CC(NS(=O)(=O)C2=CN=C3C=CC=CN23)(C(=O)[O-])C1	REAL300008102367	0	38	-1.0	-54.44	312.00	4.82	-49.62
CC1(C)CC(NS(=O)(=O)C2CCC(F)(F)CC2)(C(=O)[O-])C1	REAL300008102368	0	41	-1.0	-40.52	321.64	5.24	-35.28
CC1(C)CC(NS(=O)(=O)C2=CC=C3SC=NC3=C2)(C(=O)[O-])C1	REAL300008102369	0	37	-1.0	-61.96	315.15	4.53	-57.43
CC1(C)CC(NS(=O)(=O)CCOC2CCOC2)(C(=O)[O-])C1	REAL300008102370	0	43	-1.0	-55.25	339.43	2.43	-52.82
CC1(C)CC(NS(=O)(=O)CC2COCCO2)(C(=O)[O-])C1	REAL300008102371	0	40	-1.0	-59.23	312.31	2.84	-56.39
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C(C2=CC=CC=C2)O1	REAL300008102372	0	44	-1.0	-65.16	354.65	4.73	-60.43
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)=C(C2=CC=CC=C2)O1	REAL300008102372	1	43	-2.0	-135.85	361.83	4.43	-131.42
CC1(C)CC(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)(C(=O)[O-])C1	REAL300008102373	0	52	-1.0	-42.99	361.27	7.60	-35.39
CC1(C)CC(NS(=O)(=O)CCN2C=NN=N2)(C(=O)[O-])C1	REAL300008102374	0	36	-1.0	-61.26	299.41	3.13	-58.13
CC1(C)CC(NS(=O)(=O)CC2CC(C)(C)CO2)(C(=O)[O-])C1	REAL300008102375	0	45	-1.0	-60.13	344.67	5.03	-55.10
CC1(C)CC(NS(=O)(=O)CC2CS(=O)(=O)C2)(C(=O)[O-])C1	REAL300008102376	0	38	-1.0	-64.33	315.52	0.92	-63.41
CC(C)(CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1)C(C)(F)F	REAL300008102377	0	43	-1.0	-56.00	323.97	5.66	-50.34
CC1(C)CC(NS(=O)(=O)CCCCS(C)(=O)=O)(C(=O)[O-])C1	REAL300008102378	0	43	-1.0	-67.19	355.66	2.04	-65.15
CC1(C)CC(NS(=O)(=O)CC2CCC(C)(C)CO2)(C(=O)[O-])C1	REAL300008102379	0	48	-1.0	-62.35	360.63	5.15	-57.20
CC1(C)CC(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)(C(=O)[O-])C1	REAL300008102380	0	45	-1.0	-56.66	355.51	7.52	-49.14
CC1(C)CC(NS(=O)(=O)CC2=CC=CC3=NSN=C32)(C(=O)[O-])C1	REAL300008102381	0	39	-1.0	-66.85	332.58	4.28	-62.57
CC1(C)CC(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)(C(=O)[O-])C1	REAL300008102382	0	45	-1.0	-41.55	368.01	7.64	-33.91
CC1(C)CC(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)(C(=O)[O-])C1	REAL300008102383	0	44	-1.0	-64.57	337.15	3.35	-61.22
COCCC1(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300008102384	0	42	-1.0	-58.34	315.05	3.88	-54.46
CCN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300008102385	0	37	-1.0	-53.51	305.33	1.85	-51.66
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300008102385	1	36	-2.0	-128.25	307.95	2.18	-126.07
CC1(C)CC(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)(C(=O)[O-])C1	REAL300008102386	0	48	-1.0	-41.55	351.86	6.72	-34.83
CC1(C)CC(NS(=O)(=O)C2=CC=C(C3CC3)S2)(C(=O)[O-])C1	REAL300008102387	0	39	-1.0	-58.41	327.48	6.41	-52.00
CC1(C)CC(NS(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)(C(=O)[O-])C1	REAL300008102388	0	57	-1.0	-57.59	413.77	9.30	-48.29
COC1=CC=C(C=C(C)S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102389	0	46	-1.0	-44.11	359.86	5.68	-38.43
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102390	0	40	-1.0	-58.44	306.26	1.86	-56.58
CCC1=NNC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102391	0	38	-1.0	-53.69	301.29	2.62	-51.07
COC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1OC	REAL300008102392	0	40	-1.0	-45.40	334.43	3.16	-42.24
CC1(C)CC(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)(C(=O)[O-])C1	REAL300008102393	0	47	-1.0	-41.10	340.25	5.61	-35.49
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102394	0	46	-1.0	-55.80	363.81	7.51	-48.29
CC1(C)CC(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)(C(=O)[O-])C1	REAL300008102395	0	39	-1.0	-58.05	334.35	6.15	-51.90
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(F)=C1	REAL300008102396	0	39	-1.0	-42.85	319.10	4.09	-38.76
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C(F)=C1	REAL300008102396	1	38	-2.0	-136.60	325.22	4.85	-131.75
CC1(C)CC(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)(C(=O)[O-])C1	REAL300008102397	0	39	-1.0	-60.09	329.19	4.74	-55.35
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102398	0	41	-1.0	-55.55	327.49	4.89	-50.66
CN1C=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C21	REAL300008102399	0	42	-1.0	-63.02	337.92	6.89	-56.13
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)(C(=O)[O-])C1	REAL300008102400	0	44	-1.0	-55.67	362.93	5.61	-50.06
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102401	0	48	-1.0	-57.67	370.87	7.24	-50.43
CC1(C)CC(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300008102402	0	46	-1.0	-55.54	373.26	7.97	-47.57
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102403	0	41	-1.0	-45.22	318.94	6.34	-38.88
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)(C(=O)[O-])C1	REAL300008102404	0	36	-1.0	-42.70	314.45	3.77	-38.93
C=C(C)COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102405	0	46	-1.0	-63.70	367.70	6.74	-56.96
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C2CC2)=N1	REAL300008102406	0	45	-1.0	-46.91	364.84	5.30	-41.61
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=NSN=C2C=C1	REAL300008102407	0	39	-1.0	-68.35	318.62	4.27	-64.08
CC1(C)CC(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)(C(=O)[O-])C1	REAL300008102408	0	41	-1.0	-56.17	346.66	7.89	-48.28
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300008102409	0	45	-1.0	-56.85	375.40	9.07	-47.78
CC1(C)CC(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)(C(=O)[O-])C1	REAL300008102410	0	34	-1.0	-62.17	312.45	3.49	-58.68
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1Br	REAL300008102411	0	41	-1.0	-54.07	343.23	7.00	-47.07
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102412	0	48	-1.0	-48.71	373.00	5.71	-43.00
CC1(C)CC(NS(=O)(=O)C2=C(Cl)OC=C2)(C(=O)[O-])C1	REAL300008102413	0	32	-1.0	-41.38	283.00	3.15	-38.23
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=CS2)(C(=O)[O-])C1	REAL300008102414	0	32	-1.0	-52.31	292.47	4.59	-47.72
COCCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102415	0	49	-1.0	-42.94	375.79	5.27	-37.67
CC1(C)CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)(C(=O)[O-])C1	REAL300008102416	0	41	-1.0	-45.02	343.61	7.32	-37.70
CN1N=C2CCOCC2=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102417	0	43	-1.0	-53.45	330.54	2.57	-50.88
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2C2CC2)(C(=O)[O-])C1	REAL300008102418	0	42	-1.0	-43.85	329.73	6.76	-37.09
CC1(C)CC(NS(=O)(=O)N2CCC(C)(C)CC2)(C(=O)[O-])C1	REAL300008102419	0	46	-1.0	-40.47	333.68	5.38	-35.09
CC1(C)CC(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)(C(=O)[O-])C1	REAL300008102420	0	50	-1.0	-57.52	386.27	5.53	-51.99
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102421	0	38	-1.0	-40.70	313.73	2.56	-38.14
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C	REAL300008102422	0	41	-1.0	-54.79	331.57	2.44	-52.35
CC(C)CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300008102423	0	44	-1.0	-53.03	351.93	5.14	-47.89
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102424	0	44	-1.0	-45.89	346.43	4.06	-41.83
CC1(C)CC(NS(=O)(=O)N2CCN(CC(F)F)CC2)(C(=O)[O-])C1	REAL300008102425	0	45	-1.0	-58.48	347.43	3.60	-54.88
COCC1=CC(CS(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=NO1	REAL300008102426	0	41	-1.0	-65.34	338.94	3.14	-62.20
CC1(C)CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)(C(=O)[O-])C1	REAL300008102427	0	40	-1.0	-40.67	337.49	6.76	-33.91
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)N=C1	REAL300008102428	0	46	-1.0	-55.66	356.54	5.46	-50.20
CC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102429	0	41	-1.0	-46.89	327.99	3.78	-43.11
CC1(C)CC(NS(=O)(=O)C2=CC=NN2CC2CC2)(C(=O)[O-])C1	REAL300008102430	0	42	-1.0	-47.60	339.04	4.55	-43.05
CC1(C)CC(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300008102431	0	42	-1.0	-51.35	335.78	5.83	-45.52
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(F)F)C=N2)(C(=O)[O-])C1	REAL300008102432	0	37	-1.0	-61.65	313.16	4.45	-57.20
CC1(C)CC(NS(=O)(=O)N2CCC3=CC=CN=C32)(C(=O)[O-])C1	REAL300008102433	0	40	-1.0	-46.35	316.77	5.10	-41.25
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=NN1C(C)C	REAL300008102434	0	44	-1.0	-61.40	340.76	4.73	-56.67
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300008102435	0	49	-1.0	-55.09	392.69	8.69	-46.40
CC1(C)CC(NS(=O)(=O)C2=NC=CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300008102436	0	40	-1.0	-65.95	320.40	5.84	-60.11
CC1=CN=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1	REAL300008102437	0	40	-1.0	-49.44	318.46	4.28	-45.16
CC1(C)CC(NS(=O)(=O)N2CC=C(Br)CC2)(C(=O)[O-])C1	REAL300008102438	0	38	-1.0	-52.38	314.63	5.37	-47.01
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102439	0	43	-1.0	-63.15	335.13	0.84	-62.31
CC1(C)CC(NS(=O)(=O)N2CC3CCC(C2)O3)(C(=O)[O-])C1	REAL300008102440	0	42	-1.0	-55.06	311.59	3.65	-51.41
CC1(C)CC(NS(=O)(=O)N2CCC(C#N)CC2)(C(=O)[O-])C1	REAL300008102441	0	41	-1.0	-60.00	314.50	4.30	-55.70
COC1=CC=NC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102442	0	38	-1.0	-48.09	311.39	2.17	-45.92
C=CCN(CC=C)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102443	0	41	-1.0	-40.95	324.74	5.05	-35.90
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C(F)F)=C1	REAL300008102444	0	42	-1.0	-45.09	334.05	5.30	-39.79
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)N=C1	REAL300008102445	0	38	-1.0	-61.28	310.36	2.88	-58.40
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102446	0	41	-1.0	-39.65	335.86	3.03	-36.62
CC1(C)CC(NS(=O)(=O)C2=CC=NC3=CC=CC=C32)(C(=O)[O-])C1	REAL300008102447	0	40	-1.0	-46.21	321.04	4.84	-41.37
CCOC1=CC=CN=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300008102448	0	41	-1.0	-51.42	330.80	3.99	-47.43
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=NC=CC=C12	REAL300008102449	0	43	-1.0	-48.71	328.74	6.39	-42.32
CC1(C)CC(NS(=O)(=O)C2=CNC3=CC=CC=C23)(C(=O)[O-])C1	REAL300008102450	0	39	-1.0	-46.66	306.33	4.14	-42.52
CC1(C)CC(NS(=O)(=O)N2CCC(F)(F)C2)(C(=O)[O-])C1	REAL300008102451	0	37	-1.0	-38.29	294.58	3.62	-34.67
CC1(C)CC(NS(=O)(=O)C2=CC(C(F)F)=CC=N2)(C(=O)[O-])C1	REAL300008102452	0	37	-1.0	-65.01	314.38	4.03	-60.98
CC1(C)CC(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)(C(=O)[O-])C1	REAL300008102453	0	42	-1.0	-43.59	344.94	5.13	-38.46
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300008102454	0	48	-1.0	-62.64	368.11	7.21	-55.43
CC1CCC(NS(=O)(=O)C2=CC=CC=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102455	0	42	-1.0	-46.36	327.31	6.95	-39.41
CC1CCC(NS(=O)(=O)C2=CC=CC(F)=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102456	0	42	-1.0	-60.73	335.18	7.32	-53.41
CC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=C1	REAL300008102457	0	47	-1.0	-69.69	369.34	7.67	-62.02
CC1CCC(NS(=O)(=O)C2=CC=CS2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102458	0	39	-1.0	-64.11	320.79	6.32	-57.79
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300008102459	0	42	-1.0	-64.31	342.76	7.10	-57.21
CC1CCC(NS(=O)(=O)C2=CC=C(Cl)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102460	0	39	-1.0	-60.03	337.93	6.93	-53.10
COC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102461	0	49	-1.0	-67.30	367.46	7.33	-59.97
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102462	0	45	-1.0	-59.66	351.96	8.48	-51.18
CC1CCC(NS(=O)(=O)C2=CN(C)N=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102463	0	42	-1.0	-64.09	334.24	4.97	-59.12
CC1=NN(C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102464	0	48	-1.0	-48.44	348.27	5.28	-43.16
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=C1	REAL300008102465	0	48	-1.0	-46.83	370.29	8.39	-38.44
CC1=NNC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102466	0	42	-1.0	-58.19	323.65	4.07	-54.12
CC1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=C1	REAL300008102467	0	45	-1.0	-46.13	355.19	7.69	-38.44
CC1CCC(NS(=O)(=O)CCC2CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102468	0	45	-1.0	-65.51	345.56	7.39	-58.12
CC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102469	0	48	-1.0	-62.03	372.67	7.75	-54.28
COCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=C1	REAL300008102470	0	49	-1.0	-46.79	382.47	6.69	-40.10
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=N1	REAL300008102471	0	48	-1.0	-46.83	376.43	4.55	-42.28
CC1CCC(NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C2=CC=CC=C21	REAL300008102472	0	47	-1.0	-80.61	377.27	3.36	-77.25
CC1CCC(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102473	0	47	-1.0	-51.21	368.31	7.34	-43.87
CC1CCC(NS(=O)(=O)CC2=NOC=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102474	0	41	-1.0	-70.54	328.11	5.30	-65.24
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=NN1C	REAL300008102475	0	45	-1.0	-65.19	344.00	5.24	-59.95
CCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=C1C	REAL300008102476	0	51	-1.0	-48.47	370.10	6.15	-42.32
CC(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=N1	REAL300008102477	0	48	-1.0	-63.17	374.24	6.35	-56.82
CC(C)CN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=C1	REAL300008102478	0	51	-1.0	-51.97	395.03	8.07	-43.90
CC(C)N1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=C1	REAL300008102479	0	48	-1.0	-53.21	375.93	7.48	-45.73
CC(C)C1=NC(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=CN1	REAL300008102480	0	48	-1.0	-63.45	361.86	5.41	-58.04
CC1CCC(NS(=O)(=O)CC2CCCOC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102481	0	49	-1.0	-44.80	363.16	5.83	-38.97
CC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102482	0	45	-1.0	-59.65	340.62	8.01	-51.64
CC1CCC(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102483	0	45	-1.0	-46.21	361.57	7.88	-38.33
COCCC(C)S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102484	0	48	-1.0	-62.54	359.13	5.83	-56.71
COC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102485	0	46	-1.0	-65.62	355.33	6.85	-58.77
CCC(C)CS(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102486	0	47	-1.0	-65.80	348.59	7.13	-58.67
CCCN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=C1	REAL300008102487	0	48	-1.0	-52.08	377.81	7.85	-44.23
CC1CCC(NS(=O)(=O)CCOCC2CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102488	0	49	-1.0	-61.63	380.29	6.72	-54.91
COCC(C)CS(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102489	0	48	-1.0	-66.42	363.30	5.59	-60.83
CCOCC(C)CS(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102490	0	51	-1.0	-66.43	385.15	6.56	-59.87
CC(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102491	0	51	-1.0	-65.35	368.21	9.11	-56.24
CC1CCC(NS(=O)(=O)CCCN2CCOCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102492	0	54	-1.0	-66.81	402.86	4.40	-62.41
CCOC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=C1	REAL300008102493	0	49	-1.0	-63.83	380.14	7.49	-56.34
COCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=N1	REAL300008102494	0	49	-1.0	-59.18	389.64	4.88	-54.30
CC1CCC(NS(=O)(=O)CCC(C)(C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300008102495	0	50	-1.0	-65.36	369.40	7.60	-57.76
CC1CCC(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102496	0	47	-1.0	-63.58	370.27	7.57	-56.01
COCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102497	0	49	-1.0	-61.01	364.50	7.28	-53.73
CC1CCC(NS(=O)(=O)C2=CN(CC(F)F)N=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102498	0	45	-1.0	-63.86	368.78	6.12	-57.74
CSC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102499	0	46	-1.0	-67.00	355.69	8.33	-58.67
CCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=C1	REAL300008102500	0	48	-1.0	-64.58	371.64	8.70	-55.88
CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=C1	REAL300008102501	0	51	-1.0	-66.61	395.15	9.54	-57.07
CC1CCC(NS(=O)(=O)CCC2=CC=CS2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102502	0	45	-1.0	-64.32	363.98	7.96	-56.36
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=C1C	REAL300008102503	0	51	-1.0	-67.42	390.77	9.28	-58.14
CC1=NOC(CS(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=C1	REAL300008102504	0	44	-1.0	-45.68	349.64	6.00	-39.68
CC1CCC(NS(=O)(=O)CCC2CCCO2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102505	0	49	-1.0	-50.28	370.72	5.94	-44.34
CC1CCC(NS(=O)(=O)C2=C3OCCCN3N=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102506	0	47	-1.0	-65.67	357.87	3.99	-61.68
CC1CCC(NS(=O)(=O)CCOCC2CCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102507	0	55	-1.0	-61.58	413.99	7.89	-53.69
COC(C)CS(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102508	0	45	-1.0	-68.56	345.42	4.89	-63.67
CC1CCC(NS(=O)(=O)C2=CN3CCCCC3=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102509	0	49	-1.0	-73.90	377.12	7.83	-66.07
CC1CCC(NS(=O)(=O)CC2(C)CCCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102510	0	54	-1.0	-67.56	378.69	8.84	-58.72
CC1CCC(NS(=O)(=O)C2=CN=NN2C)(C(=O)[O-])C2=CC=CC=C21	REAL300008102511	0	41	-1.0	-52.76	316.50	3.53	-49.23
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C(F)=C1	REAL300008102512	0	48	-1.0	-70.20	379.03	8.80	-61.40
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CC1CCC(NS(=O)(=O)C2=CN=C(C3CC3)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102649	0	45	-1.0	-60.74	367.50	6.74	-54.00
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CC1CCC(NS(=O)(=O)C2=COC3=CC=CC=C23)(C(=O)[O-])C2=CC=CC=C21	REAL300008102667	0	45	-1.0	-48.31	349.91	6.89	-41.42
CC1CCC(NS(=O)(=O)C2=CN(C)N=C2C2CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102668	0	49	-1.0	-61.11	373.80	6.89	-54.22
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CC1CCC(NS(=O)(=O)C2=CN(C(C)(C)C)N=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102674	0	51	-1.0	-60.20	394.35	6.98	-53.22
CC1CCC(NS(=O)(=O)C2=CNN=C2C2CCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102675	0	49	-1.0	-58.77	370.87	6.01	-52.76
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COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300008102682	0	43	-1.0	-62.36	351.62	5.69	-56.67
CC1CCC(NS(=O)(=O)C2=CN(CCF)N=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102683	0	45	-1.0	-59.28	362.56	5.97	-53.31
CC1CCC(NS(=O)(=O)C2=CC=CC=C2CF)(C(=O)[O-])C2=CC=CC=C21	REAL300008102684	0	45	-1.0	-62.82	335.03	8.14	-54.68
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CC1CCC(NS(=O)(=O)CCC2NC(=O)NC2=O)(C(=O)[O-])C2=CC=CC=C21	REAL300008102688	0	47	-1.0	-73.16	372.47	1.24	-71.92
CC1CCC(NS(=O)(=O)C2=CN=C3C=CC=CN23)(C(=O)[O-])C2=CC=CC=C21	REAL300008102689	0	45	-1.0	-64.88	355.38	7.46	-57.42
CC1CCC(NS(=O)(=O)C2CCC(F)(F)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102690	0	48	-1.0	-41.00	361.15	7.28	-33.72
CC1CCC(NS(=O)(=O)CCOC2CCOC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102691	0	50	-1.0	-62.28	383.97	4.61	-57.67
CC1CCC(NS(=O)(=O)CC2COCCO2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102692	0	47	-1.0	-70.04	357.97	4.32	-65.72
CC1CCC(NS(=O)(=O)CCN2C=NN=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102693	0	43	-1.0	-54.42	343.69	5.00	-49.42
CC1CCC(NS(=O)(=O)CC2CC(C)(C)CO2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102694	0	52	-1.0	-70.53	388.20	7.15	-63.38
CC1CCC(NS(=O)(=O)CC2CS(=O)(=O)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102695	0	45	-1.0	-47.99	359.90	2.80	-45.19
CC1CCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)(C(=O)[O-])C2=CC=CC=C21	REAL300008102696	0	50	-1.0	-62.70	367.87	7.78	-54.92
CC1CCC(NS(=O)(=O)CC2CCC(C)(C)CO2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102697	0	55	-1.0	-69.71	403.66	7.70	-62.01
CC1CCC(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102698	0	52	-1.0	-66.65	400.06	9.60	-57.05
CC1CCC(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102699	0	51	-1.0	-46.96	380.68	4.95	-42.01
COCCC1(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300008102700	0	49	-1.0	-61.78	376.62	6.98	-54.80
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CC1CCC(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)(C(=O)[O-])C2=CC=CC=C21	REAL300008102702	0	55	-1.0	-67.27	396.52	9.39	-57.88
CC1CCC(NS(=O)(=O)C2=CC=C(C3CC3)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102703	0	46	-1.0	-64.34	372.68	8.63	-55.71
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CC1CCC(NS(=O)(=O)C2=CC=C3C(=C2)C=CN3C)(C(=O)[O-])C2=CC=CC=C21	REAL300008102706	0	49	-1.0	-68.20	382.91	9.06	-59.14
CC1CCC(NS(=O)(=O)C2=C(Cl)OC=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102707	0	39	-1.0	-59.32	320.32	5.73	-53.59
CC1CCC(NS(=O)(=O)C2=CC(Cl)=CS2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102708	0	39	-1.0	-58.84	337.69	6.81	-52.03
CC1CCC(NS(=O)(=O)C2=CC=CC=C2C2CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102709	0	49	-1.0	-46.13	366.03	8.96	-37.17
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=C1C	REAL300008102710	0	48	-1.0	-46.99	374.59	4.33	-42.66
CC(C)CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=N1	REAL300008102711	0	51	-1.0	-63.92	396.92	7.36	-56.56
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102712	0	51	-1.0	-59.76	376.31	6.56	-53.20
COCC1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=NO1	REAL300008102713	0	48	-1.0	-51.46	383.30	5.01	-46.45
CC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300008102714	0	48	-1.0	-58.02	371.01	6.46	-51.56
CC1CCC(NS(=O)(=O)C2=CC=NN2CC2CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102715	0	49	-1.0	-60.06	370.06	7.19	-52.87
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C=NN1C(C)C	REAL300008102716	0	51	-1.0	-63.56	384.83	6.89	-56.67
CC1CCC(NS(=O)(=O)C2=CNC3=CC=CC=C23)(C(=O)[O-])C2=CC=CC=C21	REAL300008102717	0	46	-1.0	-63.43	356.76	7.01	-56.42
CC1CCC(NS(=O)(=O)C2=CN=CS2)(C(=O)[O-])C2=CC=CC=C21	REAL300008102718	0	38	-1.0	-60.54	314.33	4.35	-56.19
CC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102719	0	37	-1.0	-60.22	317.81	4.65	-55.57
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102720	0	44	-1.0	-55.20	356.04	6.86	-48.34
CC1(C(NS(=O)(=O)C2=CC=C(Cl)S2)C(=O)[O-])CC1	REAL300008102721	0	29	-1.0	-41.56	293.97	3.92	-37.64
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102722	0	39	-1.0	-45.88	318.63	5.03	-40.85
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102723	0	35	-1.0	-57.71	313.00	5.73	-51.98
CC1(C(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(=O)[O-])CC1	REAL300008102724	0	36	-1.0	-44.54	314.27	4.57	-39.97
CC1(C(NS(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])CC1	REAL300008102725	0	38	-1.0	-61.33	340.25	1.85	-59.48
CC1(C(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])CC1	REAL300008102726	0	36	-1.0	-51.01	323.43	4.06	-46.95
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1OC	REAL300008102727	0	43	-1.0	-45.44	357.30	4.27	-41.17
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102728	0	35	-1.0	-41.42	314.70	5.77	-35.65
CN(C1CCCCC1)S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102729	0	43	-1.0	-43.82	337.43	4.77	-39.05
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102730	0	38	-1.0	-47.99	320.49	3.29	-44.70
CC1(C(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C(=O)[O-])CC1	REAL300008102731	0	48	-1.0	-54.92	379.22	8.08	-46.84
CC1(C(NS(=O)(=O)C2=CC=C3OCCOC3=C2)C(=O)[O-])CC1	REAL300008102732	0	38	-1.0	-55.12	321.87	3.42	-51.70
CC1(C(NS(=O)(=O)C2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300008102733	0	32	-1.0	-43.86	300.88	5.04	-38.82
CC1(C(NS(=O)(=O)C2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300008102734	0	32	-1.0	-52.38	298.62	4.89	-47.49
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102735	0	37	-1.0	-59.83	307.39	6.46	-53.37
CC1(C(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C(=O)[O-])CC1	REAL300008102736	0	38	-1.0	-56.22	339.22	6.28	-49.94
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102737	0	42	-1.0	-67.23	360.27	0.81	-66.42
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102738	0	43	-1.0	-53.55	359.99	6.11	-47.44
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102739	0	35	-1.0	-52.85	307.36	5.05	-47.80
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C(=O)[O-])CC1	REAL300008102740	0	38	-1.0	-47.66	325.65	4.91	-42.75
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102741	0	39	-1.0	-56.26	332.46	4.00	-52.26
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=N1	REAL300008102742	0	38	-1.0	-52.95	326.46	1.87	-51.08
CC1(C(NS(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C(=O)[O-])CC1	REAL300008102743	0	41	-1.0	-69.06	364.54	2.52	-66.54
CC1(C(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-])CC1	REAL300008102744	0	37	-1.0	-72.13	328.36	0.35	-71.78
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1C	REAL300008102745	0	42	-1.0	-44.62	342.30	5.18	-39.44
CC1(C(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C(=O)[O-])CC1	REAL300008102746	0	37	-1.0	-45.68	331.51	4.85	-40.83
CC1(C(NS(=O)(=O)CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300008102747	0	35	-1.0	-41.75	329.01	5.60	-36.15
CC1(C(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)C(=O)[O-])CC1	REAL300008102748	0	37	-1.0	-48.60	325.95	4.68	-43.92
CC1(C(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])CC1	REAL300008102749	0	42	-1.0	-55.48	353.94	-0.20	-55.68
CN(C1CCOCC1)S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102750	0	41	-1.0	-43.03	332.27	2.38	-40.65
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=NN1C1=CC=CC=N1	REAL300008102751	0	41	-1.0	-51.33	352.00	5.32	-46.01
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1C	REAL300008102752	0	41	-1.0	-48.56	341.76	4.14	-44.42
CC(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=N1	REAL300008102753	0	38	-1.0	-56.54	322.98	3.37	-53.17
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102754	0	41	-1.0	-50.07	349.57	5.55	-44.52
CC(C)N1C=NC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102755	0	38	-1.0	-51.42	329.48	4.65	-46.77
CC(C)C1=NC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN1	REAL300008102756	0	38	-1.0	-55.43	328.89	2.79	-52.64
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102757	0	44	-1.0	-58.94	327.10	6.59	-52.35
CC1(C(NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C(=O)[O-])CC1	REAL300008102758	0	45	-1.0	-52.25	386.80	7.33	-44.92
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102759	0	40	-1.0	-70.50	343.80	3.67	-66.83
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1OC	REAL300008102760	0	40	-1.0	-45.67	354.47	4.16	-41.51
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Br	REAL300008102761	0	35	-1.0	-52.58	316.86	5.46	-47.12
CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102762	0	35	-1.0	-44.39	303.78	5.11	-39.28
CC1(C(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C(=O)[O-])CC1	REAL300008102763	0	38	-1.0	-45.57	338.47	7.14	-38.43
CC1(C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C(=O)[O-])CC1	REAL300008102764	0	37	-1.0	-43.25	332.52	6.46	-36.79
CC1(C(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C(=O)[O-])CC1	REAL300008102765	0	36	-1.0	-55.10	322.83	3.91	-51.19
CC1(C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C(=O)[O-])CC1	REAL300008102766	0	39	-1.0	-45.94	338.50	6.09	-39.85
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102767	0	47	-1.0	-47.65	374.41	5.20	-42.45
CC1(C(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C(=O)[O-])CC1	REAL300008102768	0	35	-1.0	-54.20	311.53	5.20	-49.00
COCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102769	0	43	-1.0	-46.09	355.16	3.86	-42.23
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C(C2=CC=CC=C2)=N1	REAL300008114001	0	43	-1.0	-54.22	358.16	3.58	-50.64
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C1CCOC1	REAL300008114002	0	37	-1.0	-41.13	323.28	3.39	-37.74
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C1CCOC1	REAL300008114003	0	37	-1.0	-39.97	338.16	3.94	-36.03
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C1CCOC1	REAL300008114004	0	37	-1.0	-40.80	338.16	3.95	-36.85
O=C([O-])C(NS(=O)(=O)CCC1NC(=O)NC1=O)C1CCOC1	REAL300008114005	0	38	-1.0	-41.22	330.94	-3.96	-45.18
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CC=CN12)C1CCOC1	REAL300008114006	0	36	-1.0	-49.13	309.29	2.51	-46.62
O=C([O-])C(NS(=O)(=O)C1CCC(F)(F)CC1)C1CCOC1	REAL300008114007	0	39	-1.0	-53.21	320.69	2.55	-50.66
O=C([O-])C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C1CCOC1	REAL300008114008	0	35	-1.0	-52.49	313.53	1.46	-51.03
O=C([O-])C(NS(=O)(=O)CCOC1CCOC1)C1CCOC1	REAL300008114009	0	41	-1.0	-42.13	344.20	-0.57	-42.70
O=C([O-])C(NS(=O)(=O)CC1COCCO1)C1CCOC1	REAL300008114010	0	38	-1.0	-59.61	311.34	-0.77	-60.38
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=C(C2=CC=CC=C2)O1	REAL300008114011	0	42	-1.0	-49.85	355.85	1.22	-48.63
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOC2)=C(C2=CC=CC=C2)O1	REAL300008114011	1	41	-2.0	-145.53	357.03	1.44	-144.09
O=C([O-])C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C1CCOC1	REAL300008114012	0	50	-1.0	-55.80	364.83	5.03	-50.77
O=C([O-])C(NS(=O)(=O)CCN1C=NN=N1)C1CCOC1	REAL300008114013	0	34	-1.0	-49.19	301.48	0.07	-49.12
CC1(C)COC(CS(=O)(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300008114014	0	43	-1.0	-58.41	342.65	1.53	-56.88
O=C([O-])C(NS(=O)(=O)CC1CS(=O)(=O)C1)C1CCOC1	REAL300008114015	0	36	-1.0	-44.16	320.39	-2.07	-46.23
CC(C)(CS(=O)(=O)NC(C(=O)[O-])C1CCOC1)C(C)(F)F	REAL300008114016	0	41	-1.0	-45.26	328.40	2.70	-42.56
CS(=O)(=O)CCCCS(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114017	0	41	-1.0	-52.01	357.17	-0.99	-53.00
CC1(C)CCC(CS(=O)(=O)NC(C(=O)[O-])C2CCOC2)OC1	REAL300008114018	0	46	-1.0	-57.27	356.80	2.40	-54.87
O=C([O-])C(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C1CCOC1	REAL300008114019	0	43	-1.0	-53.83	358.44	4.47	-49.36
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C1CCOC1	REAL300008114020	0	37	-1.0	-63.47	330.50	1.08	-62.39
O=C([O-])C(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C1CCOC1	REAL300008114021	0	43	-1.0	-57.18	364.38	4.92	-52.26
O=C([O-])C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C1CCOC1	REAL300008114022	0	42	-1.0	-61.43	336.41	-0.53	-61.96
COCCC1(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300008114023	0	40	-1.0	-43.96	318.58	0.93	-43.03
CCN1N=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300008114024	0	35	-1.0	-45.77	309.24	-0.92	-46.69
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOC2)=N1	REAL300008114024	1	34	-2.0	-124.82	306.22	-1.29	-126.11
O=C([O-])C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C1CCOC1	REAL300008114025	0	46	-1.0	-44.39	349.39	4.09	-40.30
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C1CCOC1	REAL300008114026	0	37	-1.0	-53.51	327.10	3.42	-50.09
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CCOC3)=CC=C21	REAL300008114027	0	55	-1.0	-43.41	414.61	6.30	-37.11
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300008114028	0	44	-1.0	-55.88	357.02	3.13	-52.75
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114029	0	38	-1.0	-63.10	304.93	-1.16	-64.26
CCC1=NNC=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114030	0	36	-1.0	-43.46	305.47	-0.22	-43.68
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=C1OC	REAL300008114031	0	38	-1.0	-56.05	333.21	0.33	-55.72
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1CCOC1	REAL300008114032	0	45	-1.0	-51.70	346.49	2.61	-49.09
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114033	0	44	-1.0	-55.63	360.69	3.91	-51.72
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C1CCOC1	REAL300008114034	0	37	-1.0	-43.14	334.79	3.03	-40.11
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C(F)=C1	REAL300008114035	0	37	-1.0	-42.90	326.51	1.83	-41.07
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOC2)C(F)=C1	REAL300008114035	1	36	-2.0	-135.29	312.45	2.06	-133.23
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C1CCOC1	REAL300008114036	0	37	-1.0	-43.28	330.45	1.76	-41.52
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114037	0	39	-1.0	-51.46	326.78	1.99	-49.47
CN1C=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CCOC3)=CC=C21	REAL300008114038	0	40	-1.0	-47.60	340.69	3.95	-43.65
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1CCOC1	REAL300008114039	0	42	-1.0	-51.53	361.51	2.51	-49.02
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114040	0	46	-1.0	-46.45	377.61	4.50	-41.95
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1CCOC1	REAL300008114041	0	44	-1.0	-58.05	372.57	5.01	-53.04
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114042	0	39	-1.0	-60.54	320.34	4.05	-56.49
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C1CCOC1	REAL300008114043	0	34	-1.0	-42.90	310.51	0.98	-41.92
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300008114044	0	44	-1.0	-42.76	368.71	3.77	-38.99
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C(C2CC2)=N1	REAL300008114045	0	43	-1.0	-46.38	367.63	2.96	-43.42
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C2=NSN=C2C=C1	REAL300008114046	0	37	-1.0	-62.46	321.84	1.50	-60.96
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C1CCOC1	REAL300008114047	0	39	-1.0	-52.15	345.24	4.81	-47.34
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C1CCOC1	REAL300008114048	0	43	-1.0	-51.83	373.57	5.97	-45.86
O=C([O-])C(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C1CCOC1	REAL300008114049	0	32	-1.0	-48.97	310.31	0.03	-48.94
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=CC=C1Br	REAL300008114050	0	39	-1.0	-51.25	341.20	3.96	-47.29
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300008114051	0	46	-1.0	-43.56	373.04	3.37	-40.19
O=C([O-])C(NS(=O)(=O)C1=C(Cl)OC=C1)C1CCOC1	REAL300008114052	0	30	-1.0	-40.50	279.97	0.62	-39.88
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CS1)C1CCOC1	REAL300008114053	0	30	-1.0	-49.32	292.20	1.58	-47.74
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300008114054	0	47	-1.0	-42.36	370.82	2.67	-39.69
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C1CCOC1	REAL300008114055	0	39	-1.0	-53.27	342.62	4.97	-48.30
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114056	0	41	-1.0	-49.86	331.47	-0.33	-50.19
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1CC1)C1CCOC1	REAL300008114057	0	40	-1.0	-42.46	331.42	4.45	-38.01
CC1(C)CCN(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300008114058	0	44	-1.0	-53.49	334.24	2.12	-51.37
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C1CCOC1	REAL300008114059	0	48	-1.0	-53.25	384.56	2.42	-50.83
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114060	0	36	-1.0	-39.91	316.14	0.04	-39.87
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C=C1C	REAL300008114061	0	39	-1.0	-49.73	330.05	-0.54	-50.27
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C=N1	REAL300008114062	0	42	-1.0	-44.21	351.46	2.35	-41.86
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114063	0	42	-1.0	-45.04	352.93	1.86	-43.18
O=C([O-])C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C1CCOC1	REAL300008114064	0	43	-1.0	-40.57	334.83	-0.34	-40.91
COCC1=CC(CS(=O)(=O)NC(C(=O)[O-])C2CCOC2)=NO1	REAL300008114065	0	39	-1.0	-56.93	336.80	-0.05	-56.98
O=C([O-])C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C1CCOC1	REAL300008114066	0	38	-1.0	-53.68	335.94	4.28	-49.40
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)N=C1	REAL300008114067	0	44	-1.0	-46.44	349.81	3.36	-43.08
CC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114068	0	39	-1.0	-41.93	317.20	1.14	-40.79
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CC1CC1)C1CCOC1	REAL300008114069	0	40	-1.0	-42.97	332.52	2.31	-40.66
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C1CCOC1	REAL300008114070	0	40	-1.0	-51.81	334.60	3.37	-48.44
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C1CCOC1	REAL300008114071	0	35	-1.0	-45.14	318.54	1.19	-43.95
O=C([O-])C(NS(=O)(=O)N1CCC2=CC=CN=C21)C1CCOC1	REAL300008114072	0	38	-1.0	-48.02	322.30	2.55	-45.47
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C=NN1C(C)C	REAL300008114073	0	42	-1.0	-56.20	348.45	1.83	-54.37
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300008114074	0	47	-1.0	-42.55	394.54	5.68	-36.87
O=C([O-])C(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C1CCOC1	REAL300008114075	0	38	-1.0	-52.21	318.71	3.26	-48.95
CC1=CN=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C(C)=C1	REAL300008114076	0	38	-1.0	-47.05	318.29	1.75	-45.30
CC1=CN=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114077	0	35	-1.0	-39.73	295.11	1.18	-38.55
O=C([O-])C(NS(=O)(=O)N1CC=C(Br)CC1)C1CCOC1	REAL300008114078	0	36	-1.0	-50.10	311.13	1.60	-48.50
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114079	0	41	-1.0	-40.71	338.79	-2.11	-42.82
O=C([O-])C(NS(=O)(=O)N1CC2CCC(C1)O2)C1CCOC1	REAL300008114080	0	40	-1.0	-46.00	314.27	0.31	-45.69
N#CC1CCN(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300008114081	0	39	-1.0	-40.97	321.31	1.70	-39.27
COC1=CC=NC(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300008114082	0	36	-1.0	-56.16	314.52	-0.41	-56.57
C=CCN(CC=C)S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114083	0	39	-1.0	-40.15	326.06	2.12	-38.03
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C(C(F)F)=C1	REAL300008114084	0	40	-1.0	-44.02	330.48	2.62	-41.40
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)N=C1	REAL300008114085	0	36	-1.0	-45.15	313.88	-0.44	-45.59
CC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114086	0	35	-1.0	-44.14	290.76	0.82	-43.32
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114087	0	39	-1.0	-39.13	337.88	0.70	-38.43
O=C([O-])C(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C1CCOC1	REAL300008114088	0	38	-1.0	-52.33	320.40	2.55	-49.78
CCOC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C1CCOC1	REAL300008114089	0	39	-1.0	-62.50	325.60	1.38	-61.12
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)C2=NC=CC=C12	REAL300008114090	0	41	-1.0	-49.27	331.94	3.86	-45.41
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=CC=N1	REAL300008114091	0	35	-1.0	-40.40	301.75	0.97	-39.43
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC=CC=C21)C1CCOC1	REAL300008114092	0	37	-1.0	-54.97	317.55	2.04	-52.93
O=C([O-])C(NS(=O)(=O)N1CCC(F)(F)C1)C1CCOC1	REAL300008114093	0	35	-1.0	-50.25	298.19	0.46	-49.79
O=C([O-])C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C1CCOC1	REAL300008114094	0	35	-1.0	-58.72	317.69	1.19	-57.53
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C1CCOC1	REAL300008114095	0	40	-1.0	-52.28	356.12	3.06	-49.22
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300008114096	0	46	-1.0	-44.62	357.64	4.15	-40.47
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300008114097	0	39	-1.0	-52.46	323.78	7.67	-44.79
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC(F)=C2)C=C1	REAL300008114098	0	39	-1.0	-55.82	330.21	7.75	-48.07
CC(=O)C1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114099	0	44	-1.0	-60.40	364.31	8.08	-52.32
CCCCN(C)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114100	0	46	-1.0	-59.01	369.24	7.66	-51.35
CCCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114101	0	41	-1.0	-50.84	331.43	7.03	-43.81
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CS2)C=C1	REAL300008114102	0	36	-1.0	-58.96	319.27	7.04	-51.92
CCC(C)C1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114103	0	51	-1.0	-53.32	402.54	10.29	-43.03
CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)S1	REAL300008114104	0	39	-1.0	-51.58	334.85	7.40	-44.18
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300008114105	0	36	-1.0	-52.18	330.22	7.24	-44.94
COC1=CC=C(C)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114106	0	46	-1.0	-60.43	375.68	8.77	-51.66
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2CCOCC2)C=C1	REAL300008114107	0	42	-1.0	-58.91	337.46	4.79	-54.12
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114108	0	42	-1.0	-52.80	353.43	8.80	-44.00
CN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114109	0	39	-1.0	-58.63	325.69	5.23	-53.40
CCN(CC)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114110	0	43	-1.0	-58.70	342.81	6.85	-51.85
CN(C1CCCCC1)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114111	0	50	-1.0	-58.64	381.77	8.40	-50.24
CC1=NN(C)C(C)=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114112	0	45	-1.0	-60.46	359.73	6.91	-53.55
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300008114113	0	45	-1.0	-56.80	368.08	6.84	-49.96
CCC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114114	0	45	-1.0	-52.56	366.49	9.13	-43.43
CC1=NNC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114115	0	39	-1.0	-59.45	325.72	5.11	-54.34
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114116	0	44	-1.0	-76.78	347.80	9.93	-66.85
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCC2=CC=CC(Cl)=C2)C=C1	REAL300008114117	0	45	-1.0	-52.29	386.58	9.79	-42.50
CC1=CC(F)=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114118	0	42	-1.0	-51.40	351.39	8.43	-42.97
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCC2CC2)C=C1	REAL300008114119	0	42	-1.0	-51.18	341.54	7.82	-43.36
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC3=CC=CC=C3OC2)C=C1	REAL300008114120	0	45	-1.0	-61.22	372.95	8.52	-52.70
COCC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114121	0	46	-1.0	-53.30	378.67	7.42	-45.88
CCOC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114122	0	45	-1.0	-58.73	376.17	5.64	-53.09
CS(=O)(=O)CCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114123	0	44	-1.0	-58.88	373.57	3.81	-55.07
COC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C)=C1C	REAL300008114124	0	49	-1.0	-55.06	375.74	7.93	-47.13
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1	REAL300008114125	0	44	-1.0	-55.41	364.75	8.07	-47.34
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2=NOC=C2)C=C1	REAL300008114126	0	38	-1.0	-57.92	323.33	5.77	-52.15
CC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=NN1C	REAL300008114127	0	42	-1.0	-61.84	346.63	6.31	-55.53
CN(C1CCOCC1)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114128	0	48	-1.0	-51.36	364.77	5.57	-45.79
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2CC3CCC2C3)C=C1	REAL300008114129	0	45	-1.0	-58.88	354.72	7.58	-51.30
CCN1N=C(C)C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1C	REAL300008114130	0	48	-1.0	-60.26	381.55	7.78	-52.48
CC(C)N1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114131	0	45	-1.0	-58.85	365.90	6.61	-52.24
CC(C)CN1C=NC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114132	0	48	-1.0	-57.61	389.48	9.38	-48.23
CC(C)N1C=NC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114133	0	45	-1.0	-53.92	367.07	7.93	-45.99
CC(C)C1=NC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CN1	REAL300008114134	0	45	-1.0	-60.67	371.31	6.46	-54.21
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114135	0	51	-1.0	-52.19	379.46	10.48	-41.71
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2CCCOC2)C=C1	REAL300008114136	0	46	-1.0	-51.24	358.40	6.51	-44.73
CC1=C(F)C=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114137	0	42	-1.0	-51.48	345.40	8.57	-42.91
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1	REAL300008114138	0	42	-1.0	-56.22	355.79	8.55	-47.67
COCCC(C)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114139	0	45	-1.0	-51.21	352.81	5.93	-45.28
COC1=CC=C(F)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114140	0	43	-1.0	-60.28	360.51	8.20	-52.08
CCC(C)CS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114141	0	44	-1.0	-50.60	343.89	7.65	-42.95
CC1=NC2=C(S(=O)(=O)N(CC3=CC=C(C(=O)[O-])C=C3)C3CC3)C=CC=C2C=C1	REAL300008114142	0	47	-1.0	-63.60	387.39	9.93	-53.67
CCN(CC1CC1)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114143	0	47	-1.0	-58.82	374.82	8.41	-50.41
CCCN1C=NC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114144	0	45	-1.0	-53.31	368.95	8.29	-45.02
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCOCC2CC2)C=C1	REAL300008114145	0	46	-1.0	-54.21	375.96	7.08	-47.13
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CC1(CS(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)CCCCC1	REAL300008114180	0	51	-1.0	-61.35	376.70	9.53	-51.82
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CCOC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114207	0	46	-1.0	-53.24	375.19	7.92	-45.32
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CC1=CC(C)=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C)=C1	REAL300008114209	0	48	-1.0	-57.58	368.62	10.03	-47.55
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CC1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114211	0	42	-1.0	-52.49	345.23	8.35	-44.14
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CC(=O)C1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114215	0	44	-1.0	-53.78	366.57	8.18	-45.60
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CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1C	REAL300008114217	0	45	-1.0	-53.18	362.23	8.89	-44.29
CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C)=C1	REAL300008114218	0	45	-1.0	-52.19	358.13	8.95	-43.24
CC(C)(C)C1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114219	0	51	-1.0	-53.34	399.81	10.01	-43.33
CC(C)C1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114220	0	48	-1.0	-52.81	383.82	9.61	-43.20
CCCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114221	0	41	-1.0	-50.84	331.43	7.03	-43.81
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COC1=CC=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114223	0	43	-1.0	-61.76	349.96	7.89	-53.87
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COC1=CC=C(OC)C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114229	0	47	-1.0	-62.07	383.57	7.43	-54.64
COC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1OC	REAL300008114230	0	47	-1.0	-58.34	378.72	6.76	-51.58
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COC1=CC(Cl)=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114237	0	43	-1.0	-59.35	366.68	8.42	-50.93
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CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C2=CC=CN=C12	REAL300008114241	0	47	-1.0	-59.96	384.97	9.11	-50.85
CC1CCN(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)CC1	REAL300008114242	0	47	-1.0	-57.29	371.28	8.04	-49.25
CC1CC(C)CN(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C1	REAL300008114243	0	50	-1.0	-49.96	378.17	7.85	-42.11
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1	REAL300008114244	0	45	-1.0	-60.47	369.78	10.17	-50.30
CC1=CC=C(F)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114245	0	42	-1.0	-56.35	346.37	8.60	-47.75
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1	REAL300008114246	0	40	-1.0	-62.21	348.41	6.49	-55.72
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114247	0	43	-1.0	-59.77	370.84	8.65	-51.12
COC1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114248	0	43	-1.0	-55.52	353.32	6.97	-48.55
CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1Cl	REAL300008114249	0	42	-1.0	-51.40	359.08	8.79	-42.61
CC(C)OC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114250	0	49	-1.0	-55.99	394.45	8.60	-47.39
CCC1=CC=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114251	0	45	-1.0	-52.56	357.46	9.46	-43.10
CC1=CC=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114252	0	42	-1.0	-59.73	333.86	8.36	-51.37
CC1=NC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CN1C	REAL300008114253	0	42	-1.0	-57.02	348.61	7.12	-49.90
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2=CC=CC(Cl)=C2)C=C1	REAL300008114254	0	42	-1.0	-53.46	365.40	9.00	-44.46
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=NON=C32)C=C1	REAL300008114255	0	40	-1.0	-61.74	341.61	6.81	-54.93
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1	REAL300008114256	0	44	-1.0	-63.49	365.95	9.31	-54.18
COC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1F	REAL300008114257	0	43	-1.0	-59.62	359.31	7.06	-52.56
CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1F	REAL300008114258	0	42	-1.0	-51.73	350.32	8.39	-43.34
CC1=CC=C(CS(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114259	0	45	-1.0	-53.37	369.75	9.17	-44.20
CN1C=NC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114260	0	39	-1.0	-54.25	325.69	6.64	-47.61
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CN=C2)C=C1	REAL300008114261	0	38	-1.0	-59.65	322.11	6.24	-53.41
CC1CCCCN1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114262	0	47	-1.0	-49.91	352.52	7.53	-42.38
CC(C)N(C)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114263	0	43	-1.0	-50.21	332.32	6.10	-44.11
CCCN(CCC)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114264	0	49	-1.0	-58.46	385.82	8.36	-50.10
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114265	0	44	-1.0	-58.10	364.94	8.95	-49.15
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114266	0	44	-1.0	-52.03	362.19	9.05	-42.98
CC(C)CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114267	0	51	-1.0	-52.45	404.75	10.37	-42.08
COCCC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114268	0	49	-1.0	-53.97	400.16	8.20	-45.77
COCCN(CCOC)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114269	0	51	-1.0	-58.46	403.33	5.22	-53.24
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114270	0	42	-1.0	-54.47	356.70	9.06	-45.41
COC1=C(C)C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1C	REAL300008114271	0	49	-1.0	-58.35	401.18	8.91	-49.44
CCCOC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114272	0	49	-1.0	-53.27	396.69	8.72	-44.55
COC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1Cl	REAL300008114273	0	43	-1.0	-57.51	369.28	7.53	-49.98
COC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1C	REAL300008114274	0	46	-1.0	-55.09	373.13	7.74	-47.35
COC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C)=C1	REAL300008114275	0	46	-1.0	-54.55	366.17	7.58	-46.97
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2=CC=CC=C2F)C=C1	REAL300008114276	0	42	-1.0	-56.06	354.12	8.52	-47.54
CC1=NC(C)=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)S1	REAL300008114277	0	41	-1.0	-50.60	349.21	6.04	-44.56
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CSC3=CC=CC=C32)C=C1	REAL300008114278	0	42	-1.0	-57.83	362.77	9.47	-48.36
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2CCCC2)C=C1	REAL300008114279	0	45	-1.0	-50.46	351.56	8.21	-42.25
COC1=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CC=C1F	REAL300008114280	0	43	-1.0	-55.75	359.47	7.06	-48.69
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CSC=C2)C=C1	REAL300008114281	0	36	-1.0	-51.71	312.13	6.50	-45.21
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2CCCCC2)C=C1	REAL300008114282	0	48	-1.0	-50.35	367.29	8.90	-41.45
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114283	0	47	-1.0	-64.38	383.04	9.73	-54.65
CNC(=O)C1=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CN1C	REAL300008114284	0	47	-1.0	-58.70	385.70	5.28	-53.42
COC1=CC(C)=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C)=C1	REAL300008114285	0	49	-1.0	-58.02	378.48	8.64	-49.38
COC1=CC(C)=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1C	REAL300008114286	0	49	-1.0	-56.21	389.12	8.56	-47.65
CC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C2=CC=CN=C2C=C1	REAL300008114287	0	47	-1.0	-58.56	375.10	9.36	-49.20
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=CN=CC=C32)C=C1	REAL300008114288	0	44	-1.0	-61.15	366.02	8.57	-52.58
CCN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C([N+](=O)[O-])=N1	REAL300008114289	0	44	-1.0	-56.21	387.76	8.86	-47.35
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114290	0	47	-1.0	-60.75	386.91	8.96	-51.79
CN(C1CC1)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114291	0	41	-1.0	-57.71	337.06	6.88	-50.83
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1	REAL300008114292	0	42	-1.0	-68.25	353.02	6.85	-61.40
CC1=CC=CC(CS(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114293	0	45	-1.0	-53.47	369.74	9.16	-44.31
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2=CC=CC(F)=C2)C=C1	REAL300008114294	0	42	-1.0	-54.20	355.08	8.56	-45.64
CC1=CC=CC=C1CS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114295	0	45	-1.0	-53.28	364.48	9.07	-44.21
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114296	0	49	-1.0	-60.34	397.17	9.72	-50.62
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1	REAL300008114297	0	44	-1.0	-65.62	372.06	7.85	-57.77
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300008114298	0	46	-1.0	-61.28	387.92	9.15	-52.13
COCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114299	0	39	-1.0	-53.53	322.11	4.54	-48.99
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1	REAL300008114300	0	49	-1.0	-52.96	370.52	9.79	-43.17
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300008114301	0	44	-1.0	-59.46	362.74	7.25	-52.21
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C=C1	REAL300008114302	0	47	-1.0	-59.87	388.56	9.02	-50.85
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2CCS(=O)(=O)CC2)C=C1	REAL300008114303	0	45	-1.0	-72.21	367.65	4.41	-67.80
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C=C1	REAL300008114304	0	44	-1.0	-65.40	375.98	8.20	-57.20
CCOC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C)=C1	REAL300008114305	0	49	-1.0	-54.85	388.02	8.51	-46.34
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1	REAL300008114306	0	43	-1.0	-61.39	359.71	8.16	-53.23
CSC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114307	0	43	-1.0	-52.62	364.04	8.72	-43.90
CCCCCCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114308	0	50	-1.0	-50.94	395.92	9.38	-41.56
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114309	0	50	-1.0	-60.87	398.01	9.90	-50.97
CCN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)N=C1C	REAL300008114310	0	45	-1.0	-57.25	370.68	8.01	-49.24
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1	REAL300008114311	0	45	-1.0	-60.48	368.86	7.93	-52.55
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300008114312	0	44	-1.0	-59.84	364.85	8.28	-51.56
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2CCCO2)C=C1	REAL300008114313	0	43	-1.0	-52.36	344.41	6.09	-46.27
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2CCCCO2)C=C1	REAL300008114314	0	46	-1.0	-64.01	364.34	7.25	-56.76
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300008114315	0	48	-1.0	-55.11	387.71	9.26	-45.85
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2CC2)C=C1	REAL300008114316	0	39	-1.0	-51.13	320.48	7.03	-44.10
COCC1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114317	0	46	-1.0	-53.26	378.85	7.41	-45.85
CCN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114318	0	42	-1.0	-58.71	347.22	6.08	-52.63
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2=CC=CC=C2Cl)C=C1	REAL300008114319	0	42	-1.0	-54.68	359.25	8.82	-45.86
CC(C1CC1)N(C)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114320	0	47	-1.0	-57.89	368.44	8.00	-49.89
CN1N=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114321	0	39	-1.0	-57.24	330.72	5.92	-51.32
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2CCOC2)C=C1	REAL300008114322	0	43	-1.0	-50.88	342.64	5.64	-45.24
CC1CC2=CC(S(=O)(=O)N(CC3=CC=C(C(=O)[O-])C=C3)C3CC3)=CC=C2O1	REAL300008114323	0	47	-1.0	-59.45	384.19	8.63	-50.82
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114324	0	51	-1.0	-51.57	369.12	10.01	-41.56
CCCCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114325	0	44	-1.0	-50.92	352.93	7.81	-43.11
COCCN(C)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114326	0	44	-1.0	-59.25	357.06	5.33	-53.92
CN(CC1CC1)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114327	0	44	-1.0	-57.36	357.64	7.74	-49.62
CC1=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C(C)O1	REAL300008114328	0	42	-1.0	-59.81	348.13	7.62	-52.19
CC1=CSC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114329	0	39	-1.0	-51.74	334.84	7.29	-44.45
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300008114330	0	42	-1.0	-57.13	354.84	8.32	-48.81
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300008114331	0	42	-1.0	-59.77	353.17	6.67	-53.10
COC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114332	0	42	-1.0	-58.92	354.31	4.71	-54.21
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CO2)C=C1	REAL300008114333	0	36	-1.0	-52.90	307.88	5.92	-46.98
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300008114334	0	43	-1.0	-61.63	349.65	6.99	-54.64
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=COC=C2)C=C1	REAL300008114335	0	36	-1.0	-52.93	303.79	5.49	-47.44
CC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)SC=C1	REAL300008114336	0	39	-1.0	-51.80	328.02	7.35	-44.45
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C3OCCCC3=C2)C=C1	REAL300008114337	0	47	-1.0	-56.06	377.34	8.32	-47.74
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2CC3=CC=CC=C3C2)C=C1	REAL300008114338	0	46	-1.0	-61.36	373.57	10.05	-51.31
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2CCOC2)C=C1	REAL300008114339	0	40	-1.0	-52.10	319.67	4.73	-47.37
C=CCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114340	0	39	-1.0	-51.17	322.74	6.81	-44.36
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CNC=N2)C=C1	REAL300008114341	0	36	-1.0	-55.58	304.10	5.98	-49.60
CC1=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CC=C1[N+](=O)[O-]	REAL300008114342	0	44	-1.0	-56.46	368.22	8.90	-47.56
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCCF)C=C1	REAL300008114343	0	38	-1.0	-51.33	316.52	6.39	-44.94
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CC1=NN(C)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114345	0	42	-1.0	-60.25	348.69	6.42	-53.83
CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)O1	REAL300008114346	0	39	-1.0	-59.77	331.95	6.85	-52.92
CC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)N(C)N=C1	REAL300008114347	0	42	-1.0	-57.83	340.85	6.39	-51.44
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1	REAL300008114348	0	41	-1.0	-59.35	358.66	7.44	-51.91
CN(C)C1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114349	0	47	-1.0	-54.18	375.09	8.09	-46.09
C=C(C)CS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114350	0	39	-1.0	-51.15	322.77	6.69	-44.46
CC1=CC2=CC=C(S(=O)(=O)N(CC3=CC=C(C(=O)[O-])C=C3)C3CC3)C=C2C=C1	REAL300008114351	0	48	-1.0	-55.90	391.02	10.61	-45.29
COC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)SC=C1	REAL300008114352	0	40	-1.0	-61.83	346.49	6.94	-54.89
C=CCCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114353	0	42	-1.0	-51.15	344.24	7.59	-43.56
CN(C)C1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114354	0	47	-1.0	-54.12	371.35	7.95	-46.17
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2CCC2)C=C1	REAL300008114355	0	42	-1.0	-50.71	336.75	7.58	-43.13
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O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1	REAL300008114358	0	44	-1.0	-57.64	359.39	7.54	-50.10
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCC2=CC=C(Cl)C=C2)C=C1	REAL300008114359	0	45	-1.0	-53.35	386.90	9.79	-43.56
COC1=CC=CC(OC)=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114360	0	47	-1.0	-64.06	380.14	8.48	-55.58
COC1=CC=C(CCS(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114361	0	49	-1.0	-54.35	399.68	8.57	-45.78
COC1=CN=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114362	0	42	-1.0	-54.49	348.28	5.17	-49.32
CC(C)(C)C1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)S1	REAL300008114363	0	48	-1.0	-52.52	394.04	9.25	-43.27
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C(C3CC3)C=C2)C=C1	REAL300008114364	0	46	-1.0	-58.62	376.82	10.12	-48.50
COC1=CC(OC)=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114365	0	47	-1.0	-60.85	386.11	6.62	-54.23
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCC2CCCCC2)C=C1	REAL300008114366	0	51	-1.0	-51.41	390.96	9.44	-41.97
CC1=CC=C(CCS(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114367	0	48	-1.0	-53.26	391.58	9.95	-43.31
CC1=CC2=C(C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1)OCO2	REAL300008114368	0	45	-1.0	-55.52	376.37	7.54	-47.98
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1	REAL300008114369	0	42	-1.0	-62.29	352.07	8.34	-53.95
COC1=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CC=C1Cl	REAL300008114370	0	43	-1.0	-54.69	369.28	7.54	-47.15
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCC2CCCC2)C=C1	REAL300008114371	0	48	-1.0	-51.28	374.47	8.86	-42.42
CN1C=NC2=CC(S(=O)(=O)N(CC3=CC=C(C(=O)[O-])C=C3)C3CC3)=CC=C21	REAL300008114372	0	45	-1.0	-62.27	371.85	9.04	-53.23
CC1(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)CC1	REAL300008114373	0	39	-1.0	-59.84	320.49	7.62	-52.22
CC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C2=NC=CC=C2C=C1	REAL300008114374	0	47	-1.0	-64.08	381.46	9.91	-54.17
CC1=NC2=CC=C(S(=O)(=O)N(CC3=CC=C(C(=O)[O-])C=C3)C3CC3)C=C2O1	REAL300008114375	0	44	-1.0	-61.45	370.78	5.67	-55.78
CCC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1CC	REAL300008114376	0	51	-1.0	-52.99	400.88	10.25	-42.74
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114377	0	49	-1.0	-60.64	384.29	9.56	-51.08
CC1=C(C)SC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114378	0	42	-1.0	-51.96	352.95	7.96	-44.00
NC1=NC=C(Cl)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114379	0	40	-1.0	-56.20	350.13	6.22	-49.98
CC1=NC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)S1	REAL300008114380	0	38	-1.0	-51.44	329.89	5.47	-45.97
CCC1=NC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)S1	REAL300008114381	0	41	-1.0	-51.40	351.37	6.22	-45.18
CC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(N)=NO1	REAL300008114382	0	40	-1.0	-57.13	339.30	5.63	-51.50
CN(C)C1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114383	0	46	-1.0	-60.38	375.44	7.77	-52.61
CC1=CC(C)=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)S1	REAL300008114384	0	42	-1.0	-52.03	349.92	8.16	-43.87
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1	REAL300008114385	0	45	-1.0	-56.07	375.36	9.11	-46.96
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300008114386	0	42	-1.0	-60.83	354.47	6.92	-53.91
CC1=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CC(C)=C1F	REAL300008114387	0	45	-1.0	-57.53	374.64	9.36	-48.17
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C=C1	REAL300008114388	0	43	-1.0	-63.35	363.71	8.15	-55.20
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1	REAL300008114389	0	41	-1.0	-62.62	355.24	7.64	-54.98
CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114390	0	41	-1.0	-59.48	343.27	6.77	-52.71
CC1=NC(CS(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CS1	REAL300008114391	0	41	-1.0	-56.40	355.38	6.17	-50.23
COC(CS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1)C1CC1	REAL300008114392	0	46	-1.0	-51.92	368.12	7.12	-44.80
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2=CC=C(Cl)C=C2)C=C1	REAL300008114393	0	42	-1.0	-51.97	365.07	9.02	-42.95
CC1=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CC=C1Cl	REAL300008114394	0	42	-1.0	-53.05	359.27	8.79	-44.26
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C=C1	REAL300008114395	0	45	-1.0	-65.72	375.24	9.00	-56.72
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1	REAL300008114396	0	47	-1.0	-61.15	377.72	9.53	-51.62
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2=CC(F)=CC=C2Cl)C=C1	REAL300008114397	0	42	-1.0	-52.49	366.18	8.94	-43.55
CCC1(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)CC1	REAL300008114398	0	42	-1.0	-63.01	333.24	7.89	-55.12
COC(CS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1)C1CCCC1	REAL300008114399	0	52	-1.0	-51.72	398.51	7.89	-43.83
COC(CS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1)C1CCCCC1	REAL300008114400	0	55	-1.0	-64.96	415.69	9.36	-55.60
CC1(C)CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)CO1	REAL300008114401	0	46	-1.0	-60.63	365.06	6.52	-54.11
CCOC(CS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1)C1CC1	REAL300008114402	0	49	-1.0	-51.54	389.15	8.29	-43.25
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1	REAL300008114403	0	42	-1.0	-51.96	361.19	7.15	-44.81
CN1N=CC(C2CC2)=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114404	0	46	-1.0	-56.87	377.82	8.18	-48.69
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=N1	REAL300008114405	0	41	-1.0	-54.18	351.38	7.05	-47.13
CC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C2=CC=CC=C2C=C1	REAL300008114406	0	48	-1.0	-59.34	380.29	11.19	-48.15
CC(C)OC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114407	0	48	-1.0	-58.66	396.29	6.57	-52.09
COC1=C(F)C=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114408	0	43	-1.0	-53.12	357.87	7.91	-45.21
CN1N=C2CCCCC2=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114409	0	49	-1.0	-58.17	381.64	7.90	-50.27
CN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C(C)(C)C)=N1	REAL300008114410	0	51	-1.0	-52.61	396.12	8.09	-44.52
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1	REAL300008114411	0	49	-1.0	-58.88	388.96	7.89	-50.99
COC1=CC=C(F)C=C1CS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114412	0	46	-1.0	-54.38	382.91	7.92	-46.46
C=CCCC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1	REAL300008114413	0	49	-1.0	-52.41	400.80	10.47	-41.94
CCC1=NN(C)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114414	0	45	-1.0	-61.09	362.17	6.70	-54.39
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C=C1	REAL300008114415	0	43	-1.0	-51.73	375.59	9.56	-42.17
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114416	0	45	-1.0	-56.04	365.77	9.87	-46.17
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCCC2CC2)C=C1	REAL300008114417	0	45	-1.0	-51.03	363.05	8.60	-42.43
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C=CC2=CC=CC=C2Cl)C=C1	REAL300008114418	0	43	-1.0	-61.01	373.50	9.64	-51.37
CCCC1=CC=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114419	0	48	-1.0	-52.57	378.95	10.23	-42.34
COC1=NC=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114420	0	42	-1.0	-59.67	352.02	5.48	-54.19
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1	REAL300008114421	0	44	-1.0	-62.11	364.84	8.36	-53.75
CC1=NC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)N1C	REAL300008114422	0	42	-1.0	-59.95	341.01	6.52	-53.43
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC=N2)C=C1	REAL300008114423	0	38	-1.0	-54.13	319.90	6.58	-47.55
CC1=CSC(C)=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114424	0	42	-1.0	-57.29	343.95	8.54	-48.75
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300008114425	0	46	-1.0	-53.82	368.25	7.12	-46.70
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=NN2C2CCC2)C=C1	REAL300008114426	0	46	-1.0	-55.34	368.90	7.48	-47.86
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1	REAL300008114427	0	49	-1.0	-55.84	382.96	7.92	-47.92
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300008114428	0	46	-1.0	-60.29	363.21	7.66	-52.63
CC1CC2=CC=CC(S(=O)(=O)N(CC3=CC=C(C(=O)[O-])C=C3)C3CC3)=C2O1	REAL300008114429	0	47	-1.0	-61.74	380.84	8.73	-53.01
CC(C)(C)C1=NC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)S1	REAL300008114430	0	47	-1.0	-52.06	390.04	7.29	-44.77
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114431	0	44	-1.0	-66.56	367.88	7.63	-58.93
CCN1N=NC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114432	0	41	-1.0	-58.16	339.88	5.21	-52.95
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C=C1	REAL300008114433	0	48	-1.0	-58.51	376.09	8.19	-50.32
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1	REAL300008114434	0	40	-1.0	-54.79	338.32	6.47	-48.32
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1	REAL300008114435	0	42	-1.0	-55.54	359.37	9.02	-46.52
CN1N=C(C2CC2)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114436	0	46	-1.0	-56.22	373.39	7.33	-48.89
CC1=CC(C)=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C)=C1F	REAL300008114437	0	48	-1.0	-57.25	379.92	10.20	-47.05
COC1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1OC	REAL300008114438	0	47	-1.0	-53.99	380.86	7.64	-46.35
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=COC3=CC=CC=C32)C=C1	REAL300008114439	0	42	-1.0	-58.87	356.47	8.40	-50.47
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114440	0	51	-1.0	-60.01	402.15	8.48	-51.53
CCCCN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C)=N1	REAL300008114441	0	51	-1.0	-60.56	409.00	8.61	-51.95
CN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C2CC2)=N1	REAL300008114442	0	46	-1.0	-60.26	380.35	7.96	-52.30
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C=C1	REAL300008114443	0	43	-1.0	-57.48	363.09	7.28	-50.20
CN1N=NC2=C(S(=O)(=O)N(CC3=CC=C(C(=O)[O-])C=C3)C3CC3)C=CC=C21	REAL300008114444	0	44	-1.0	-66.97	368.39	6.53	-60.44
CC1(C)CCCN(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C1	REAL300008114445	0	50	-1.0	-57.73	372.61	8.34	-49.39
CN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C2CCC2)=N1	REAL300008114446	0	49	-1.0	-57.67	396.01	8.06	-49.61
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1	REAL300008114447	0	49	-1.0	-61.24	401.35	8.68	-52.56
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300008114448	0	43	-1.0	-52.22	360.47	8.67	-43.55
CCCC1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114449	0	48	-1.0	-52.49	388.18	9.90	-42.59
CN1N=C2CCCC2=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114450	0	46	-1.0	-59.52	369.51	7.43	-52.09
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C=C1	REAL300008114451	0	45	-1.0	-57.85	360.18	7.80	-50.05
CC1=CC=CC(C)=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114452	0	45	-1.0	-57.73	347.21	9.37	-48.36
CC(C)(C)N1N=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114453	0	48	-1.0	-57.17	370.77	7.62	-49.55
CC(C)(C)N1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114454	0	48	-1.0	-59.05	385.65	7.23	-51.82
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CNN=C2C2CCC2)C=C1	REAL300008114455	0	46	-1.0	-60.25	369.98	6.92	-53.33
CC1=NN(C)C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114456	0	42	-1.0	-57.44	352.66	6.51	-50.93
CC1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1C	REAL300008114457	0	45	-1.0	-53.37	357.10	9.07	-44.30
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C=C1	REAL300008114458	0	50	-1.0	-60.01	394.94	11.05	-48.96
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2CC3=CC=CC=C3C2)C=C1	REAL300008114459	0	45	-1.0	-57.89	374.06	8.73	-49.16
CN(C1CCC1)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114460	0	44	-1.0	-58.56	345.46	7.08	-51.48
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2=NOC3=C2COCC3)C=C1	REAL300008114461	0	46	-1.0	-58.31	377.99	6.13	-52.18
O=C([O-])C1=CC=C(CN(C(=O)N2CCC(F)(F)CC2)C2CC2)C=C1	REAL300008114462	0	43	-1.0	-57.00	344.33	10.15	-46.85
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1	REAL300008114463	0	46	-1.0	-53.05	372.99	9.78	-43.27
COC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=CS1	REAL300008114464	0	40	-1.0	-60.24	346.30	6.53	-53.71
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1	REAL300008114465	0	49	-1.0	-59.98	393.34	8.61	-51.37
CCC(C)N1N=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114466	0	48	-1.0	-56.29	390.14	8.09	-48.20
CN(C(C)(C)C)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114467	0	46	-1.0	-49.93	335.28	6.32	-43.61
CCC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)O1	REAL300008114468	0	42	-1.0	-52.93	351.46	7.50	-45.43
CN(C1CCCCCC1)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114469	0	53	-1.0	-58.32	396.55	8.98	-49.34
CC(F)(F)C1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114470	0	45	-1.0	-58.52	374.21	9.13	-49.39
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1	REAL300008114471	0	43	-1.0	-56.14	363.06	7.26	-48.88
COC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)S1	REAL300008114472	0	40	-1.0	-52.06	345.03	6.07	-45.99
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN(CCF)N=C2)C=C1	REAL300008114473	0	42	-1.0	-54.27	353.88	6.24	-48.03
CCOCC1=CC=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114474	0	49	-1.0	-53.34	400.71	8.37	-44.97
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC=C2CF)C=C1	REAL300008114475	0	42	-1.0	-54.13	356.45	9.02	-45.11
CC1=CN=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114476	0	41	-1.0	-52.41	340.14	6.55	-45.86
CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C2=CC=CC=C12	REAL300008114477	0	48	-1.0	-60.12	388.90	10.89	-49.23
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2CC3CC2C3)C=C1	REAL300008114478	0	42	-1.0	-59.46	339.46	6.91	-52.55
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C=CC2=CC=C(F)C=C2)C=C1	REAL300008114479	0	43	-1.0	-54.68	365.26	9.11	-45.57
CCOCCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114480	0	45	-1.0	-51.65	365.46	6.29	-45.36
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCC2NC(=O)NC2=O)C=C1	REAL300008114481	0	44	-1.0	-56.80	368.43	1.67	-55.13
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1	REAL300008114482	0	42	-1.0	-60.68	357.32	8.65	-52.03
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2CCC(F)(F)CC2)C=C1	REAL300008114483	0	45	-1.0	-64.16	359.26	8.34	-55.82
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1	REAL300008114484	0	41	-1.0	-58.03	354.51	7.09	-50.94
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCOC2CCOC2)C=C1	REAL300008114485	0	47	-1.0	-53.93	379.39	4.96	-48.97
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2COCCO2)C=C1	REAL300008114486	0	44	-1.0	-53.58	353.78	4.96	-48.62
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CCN2C=NN=N2)C=C1	REAL300008114487	0	40	-1.0	-66.00	339.37	5.67	-60.33
CC1(C)COC(CS(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C1	REAL300008114488	0	49	-1.0	-52.13	384.72	7.27	-44.86
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2CS(=O)(=O)C2)C=C1	REAL300008114489	0	42	-1.0	-57.12	355.58	3.47	-53.65
CC(C)(CS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1)C(C)(F)F	REAL300008114490	0	47	-1.0	-55.19	363.58	8.24	-46.95
CS(=O)(=O)CCCCS(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114491	0	47	-1.0	-65.96	395.06	4.59	-61.37
CC1(C)CCC(CS(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)OC1	REAL300008114492	0	52	-1.0	-63.65	401.59	8.17	-55.48
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C=C1	REAL300008114493	0	49	-1.0	-51.30	395.16	10.08	-41.22
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C=C1	REAL300008114494	0	48	-1.0	-54.37	379.23	5.16	-49.21
COCCC1(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)CC1	REAL300008114495	0	46	-1.0	-53.20	356.39	6.43	-46.77
CCN1N=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=N1	REAL300008114496	0	41	-1.0	-54.09	345.85	4.99	-49.10
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C=C1	REAL300008114497	0	52	-1.0	-61.94	394.45	10.05	-51.89
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1	REAL300008114498	0	43	-1.0	-52.30	364.88	8.93	-43.37
CO[C@@H]1COC[C@@H]1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114499	0	44	-1.0	-63.35	356.58	5.09	-58.26
CC1=COC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114500	0	39	-1.0	-52.99	330.01	6.57	-46.42
CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)O1	REAL300008114501	0	39	-1.0	-59.77	331.95	6.85	-52.92
CCC1=NNC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114502	0	42	-1.0	-60.31	339.21	5.39	-54.92
COC1=CSC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1OC	REAL300008114503	0	44	-1.0	-52.52	371.10	6.36	-46.16
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C=C1	REAL300008114504	0	51	-1.0	-58.35	392.12	8.74	-49.61
CN(CCC1=CC=CC=C1)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114505	0	50	-1.0	-60.03	407.63	9.91	-50.12
COC1=CC(F)=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(F)=C1	REAL300008114506	0	43	-1.0	-60.15	365.02	7.59	-52.56
CN1N=C2C=CC=CC2=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114507	0	45	-1.0	-58.32	375.07	8.30	-50.02
CN1C=CC2=CC(S(=O)(=O)N(CC3=CC=C(C(=O)[O-])C=C3)C3CC3)=CC=C21	REAL300008114508	0	46	-1.0	-56.88	377.28	9.45	-47.43
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114509	0	45	-1.0	-63.03	358.42	9.64	-53.39
CCN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C2CC2)=N1	REAL300008114510	0	49	-1.0	-59.86	405.15	8.81	-51.05
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300008114511	0	36	-1.0	-57.50	324.50	6.56	-50.94
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300008114512	0	36	-1.0	-50.24	330.08	7.14	-43.10
CN1N=C2CCOCC2=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114513	0	47	-1.0	-57.43	380.55	5.89	-51.54
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300008114514	0	46	-1.0	-59.60	366.35	9.94	-49.66
CC1(C)CCN(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)CC1	REAL300008114515	0	50	-1.0	-57.72	380.50	8.08	-49.64
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114516	0	42	-1.0	-57.14	368.75	5.98	-51.16
COC1=NC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=C1C	REAL300008114517	0	45	-1.0	-56.71	370.74	5.03	-51.68
CC(C)CN1C=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=N1	REAL300008114518	0	48	-1.0	-60.91	394.77	8.14	-52.77
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114519	0	48	-1.0	-59.52	388.90	7.80	-51.72
COCC1=CC(CS(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=NO1	REAL300008114520	0	45	-1.0	-58.25	378.93	5.66	-52.59
CC(C)(C)C1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)N=C1	REAL300008114521	0	50	-1.0	-53.08	395.66	8.08	-45.00
CC(C)N1N=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114522	0	45	-1.0	-56.71	371.91	7.45	-49.26
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300008114523	0	46	-1.0	-55.10	367.94	7.82	-47.28
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1	REAL300008114524	0	46	-1.0	-60.01	387.55	9.44	-50.57
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C(C(F)F)C=N2)C=C1	REAL300008114525	0	41	-1.0	-55.74	347.58	7.29	-48.45
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2CCC3=CC=CN=C32)C=C1	REAL300008114526	0	44	-1.0	-62.88	362.88	8.36	-54.52
CC1=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C=NN1C(C)C	REAL300008114527	0	48	-1.0	-56.16	398.64	7.79	-48.37
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=NC=CC3=CC=CC=C32)C=C1	REAL300008114528	0	44	-1.0	-62.79	364.67	8.44	-54.35
CC1=CN=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C(C)=C1	REAL300008114529	0	44	-1.0	-60.91	360.71	7.69	-53.22
CC1=CN=CC=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114530	0	41	-1.0	-55.40	333.07	6.52	-48.88
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2CC3CCC(C2)O3)C=C1	REAL300008114531	0	46	-1.0	-58.86	349.73	5.81	-53.05
N#CC1CCN(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)CC1	REAL300008114532	0	45	-1.0	-52.16	356.60	6.94	-45.22
COC1=CC=NC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=C1	REAL300008114533	0	42	-1.0	-61.48	353.71	5.39	-56.09
C=CCN(CC=C)S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114534	0	45	-1.0	-58.70	369.74	8.00	-50.70
COC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)N=C1	REAL300008114535	0	42	-1.0	-52.12	344.75	5.73	-46.39
CC1=CC=CN=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114536	0	41	-1.0	-54.50	331.99	7.24	-47.26
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=NC3=CC=CC=C32)C=C1	REAL300008114537	0	44	-1.0	-58.78	366.55	8.44	-50.34
CCOC1=CC=CN=C1S(=O)(=O)N(CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300008114538	0	45	-1.0	-55.61	364.49	7.53	-48.08
CC1=CC=C(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)C2=NC=CC=C12	REAL300008114539	0	47	-1.0	-63.36	383.77	9.85	-53.51
CC1=CC(S(=O)(=O)N(CC2=CC=C(C(=O)[O-])C=C2)C2CC2)=CC=N1	REAL300008114540	0	41	-1.0	-54.67	340.68	6.53	-48.14
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CNC3=CC=CC=C32)C=C1	REAL300008114541	0	43	-1.0	-60.70	360.29	8.03	-52.67
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)N2CCC(F)(F)C2)C=C1	REAL300008114542	0	41	-1.0	-57.90	344.61	6.49	-51.41
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CN=CS2)C=C1	REAL300008114543	0	35	-1.0	-51.44	307.98	4.76	-46.68
O=C([O-])C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC(C(F)F)=CC=N2)C=C1	REAL300008114544	0	41	-1.0	-61.18	356.48	6.96	-54.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114545	0	39	-1.0	-56.37	313.13	6.94	-49.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114546	0	40	-1.0	-55.98	333.66	6.52	-49.46
CC1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1C(=O)[O-]	REAL300008114547	0	39	-1.0	-52.18	329.40	7.41	-44.77
O=C([O-])C1=C(S(=O)(=O)N(CC2CC2)C2CC2)C=CS1	REAL300008114548	0	33	-1.0	-62.00	297.90	6.52	-55.48
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)S1	REAL300008114549	0	33	-1.0	-47.27	301.63	5.88	-41.39
O=C([O-])C1CCCN(S(=O)(=O)N(CC2CC2)C2CC2)C1	REAL300008114550	0	41	-1.0	-47.56	331.87	6.03	-41.53
O=C([O-])C1CCN(S(=O)(=O)N(CC2CC2)C2CC2)CC1	REAL300008114551	0	41	-1.0	-51.33	326.31	5.93	-45.40
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114552	0	36	-1.0	-59.66	316.49	8.28	-51.38
O=C([O-])C1=CC=C(CS(=O)(=O)N(CC2CC2)C2CC2)C=C1	REAL300008114553	0	39	-1.0	-55.58	337.05	7.62	-47.96
O=C([O-])C1CCN(S(=O)(=O)N(CC2CC2)C2CC2)CC1	REAL300008114554	0	41	-1.0	-51.33	326.31	5.93	-45.40
O=C([O-])C1=CC=CC(CS(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114555	0	39	-1.0	-58.50	337.13	7.62	-50.88
O=C([O-])COC1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1	REAL300008114556	0	40	-1.0	-47.38	344.44	7.16	-40.22
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114557	0	40	-1.0	-44.66	344.89	7.80	-36.86
O=C([O-])C1=CSC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114558	0	33	-1.0	-49.23	306.54	5.90	-43.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1C	REAL300008114559	0	42	-1.0	-51.17	343.57	8.11	-43.06
CC1=CC=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1C(=O)[O-]	REAL300008114560	0	39	-1.0	-71.98	329.49	8.09	-63.89
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114561	0	43	-1.0	-54.76	367.35	6.55	-48.21
O=C([O-])C1=CC(S(=O)(=O)N(CC2CC2)C2CC2)=CS1	REAL300008114562	0	33	-1.0	-50.41	305.01	5.93	-44.48
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114563	0	39	-1.0	-56.82	342.46	9.04	-47.78
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114564	0	39	-1.0	-50.24	311.94	6.89	-43.35
O=C([O-])C1=C(S(=O)(=O)N(CC2CC2)C2CC2)C2=CC=CC=C2S1	REAL300008114565	0	39	-1.0	-54.78	337.43	9.12	-45.66
O=C([O-])CC1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1	REAL300008114566	0	39	-1.0	-48.50	335.55	7.66	-40.84
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1[N+](=O)[O-]	REAL300008114567	0	41	-1.0	-42.93	350.53	7.87	-35.06
O=C([O-])CC1=CC=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114568	0	39	-1.0	-51.58	335.54	7.65	-43.93
O=C([O-])C1=NSC=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114569	0	32	-1.0	-67.44	291.74	4.99	-62.45
O=C([O-])C1=C(S(=O)(=O)N(CC2CC2)C2CC2)SC=N1	REAL300008114570	0	32	-1.0	-67.44	291.73	4.55	-62.89
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114571	0	36	-1.0	-46.97	330.09	7.39	-39.58
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114572	0	36	-1.0	-47.01	334.66	7.49	-39.52
COC1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1C(=O)[O-]	REAL300008114573	0	40	-1.0	-57.94	340.65	6.95	-50.99
CC1=CC(S(=O)(=O)N(CC2CC2)C2CC2)=CC=C1C(=O)[O-]	REAL300008114574	0	39	-1.0	-47.32	329.39	7.43	-39.89
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N(CC3CC3)C3CC3)C=CC=C21	REAL300008114575	0	41	-1.0	-51.75	339.89	6.86	-44.89
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114576	0	43	-1.0	-54.76	367.35	6.55	-48.21
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114577	0	36	-1.0	-46.97	330.09	7.39	-39.58
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114578	0	36	-1.0	-51.29	300.48	6.81	-44.48
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114579	0	39	-1.0	-45.49	341.50	8.04	-37.45
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N(CC3CC3)C3CC3)C=C21	REAL300008114580	0	42	-1.0	-49.97	359.17	8.18	-41.79
O=C([O-])C1=CC=C(CS(=O)(=O)N(CC2CC2)C2CC2)C=C1	REAL300008114581	0	39	-1.0	-55.58	337.05	7.62	-47.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114582	0	40	-1.0	-55.98	333.66	6.52	-49.46
CC1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1C(=O)[O-]	REAL300008114583	0	39	-1.0	-52.18	329.40	7.41	-44.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114584	0	39	-1.0	-56.37	313.13	6.94	-49.43
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114585	0	40	-1.0	-46.13	340.32	6.96	-39.17
O=C([O-])CC1=CC=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114586	0	39	-1.0	-51.58	335.54	7.65	-43.93
COC1=C(S(=O)(=O)N(CC2CC2)C2CC2)SC(C(=O)[O-])=C1	REAL300008114587	0	37	-1.0	-47.09	334.95	5.82	-41.27
CC1=C(Br)C=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1C(=O)[O-]	REAL300008114588	0	39	-1.0	-46.39	346.15	7.89	-38.50
O=C([O-])C1CC2=CC(S(=O)(=O)N(CC3CC3)C3CC3)=CC=C2O1	REAL300008114589	0	41	-1.0	-48.63	345.97	7.32	-41.31
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1C(F)(F)F	REAL300008114590	0	39	-1.0	-46.46	343.49	7.69	-38.77
O=C([O-])C1(C2=CC=C(S(=O)(=O)N(CC3CC3)C3CC3)C=C2)CC1	REAL300008114591	0	43	-1.0	-52.16	353.08	8.58	-43.58
CCC1=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C(C(=O)[O-])O1	REAL300008114592	0	39	-1.0	-53.04	325.56	6.35	-46.69
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114593	0	38	-1.0	-61.29	327.96	8.41	-52.88
O=C([O-])C1=CC2=CC(S(=O)(=O)N(CC3CC3)C3CC3)=CC=C2S1	REAL300008114594	0	39	-1.0	-49.70	350.06	8.33	-41.37
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114595	0	38	-1.0	-52.24	327.95	8.41	-43.83
CC1=NC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1C(=O)[O-]	REAL300008114596	0	38	-1.0	-45.96	324.82	5.61	-40.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114597	0	40	-1.0	-48.47	333.69	6.53	-41.94
COC1=CC(S(=O)(=O)N(CC2CC2)C2CC2)=CC=C1C(=O)[O-]	REAL300008114598	0	40	-1.0	-53.19	340.63	6.96	-46.23
COC1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C(CC(=O)[O-])=C1	REAL300008114599	0	43	-1.0	-64.43	354.18	7.07	-57.36
O=C([O-])CC1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1F	REAL300008114600	0	39	-1.0	-50.05	340.98	7.70	-42.35
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114601	0	39	-1.0	-45.62	349.49	7.78	-37.84
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1	REAL300008114602	0	45	-1.0	-49.95	368.27	8.55	-41.40
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N(CC3CC3)C3CC3)C=CC=C12	REAL300008114603	0	42	-1.0	-50.37	342.75	8.57	-41.80
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114604	0	36	-1.0	-59.66	321.06	8.37	-51.29
O=C([O-])C1=CC(S(=O)(=O)N(CC2CC2)C2CC2)=CC=C1Cl	REAL300008114605	0	36	-1.0	-50.45	325.89	7.28	-43.17
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114606	0	40	-1.0	-63.97	334.21	7.35	-56.62
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N(CC2CC2)C2CC2)=C1OC	REAL300008114607	0	48	-1.0	-50.33	401.52	7.85	-42.48
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1C(=O)[O-]	REAL300008114608	0	38	-2.0	-135.59	340.20	7.83	-127.76
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114609	0	43	-1.0	-53.75	347.39	6.27	-47.48
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N(CC1CC1)C1CC1	REAL300008114610	0	39	-1.0	-55.73	327.12	8.04	-47.69
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114611	0	33	-1.0	-45.43	313.03	5.54	-39.89
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C2=CC=CC=C12	REAL300008114612	0	42	-1.0	-50.83	343.00	8.64	-42.19
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114613	0	43	-1.0	-55.54	350.56	7.28	-48.26
COC1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C(C(=O)[O-])=C1	REAL300008114614	0	40	-1.0	-69.05	329.20	7.05	-62.00
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N(CC3CC3)C3CC3)C=C2C=C1	REAL300008114615	0	42	-1.0	-50.78	359.25	9.15	-41.63
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(CC2CC2)C2CC2)S1	REAL300008114616	0	36	-1.0	-50.24	323.26	6.56	-43.68
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114617	0	42	-1.0	-71.78	350.49	10.32	-61.46
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N(CC2CC2)C2CC2)=C1	REAL300008114618	0	39	-1.0	-42.54	337.65	8.20	-34.34
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114619	0	39	-1.0	-63.01	324.70	7.92	-55.09
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N(CC1CC1)C1CC1)=C2	REAL300008114620	0	36	-1.0	-47.50	339.06	7.34	-40.16
O=C([O-])C1=NC(S(=O)(=O)N(CC2CC2)C2CC2)=C2C=CC=CN21	REAL300008114621	0	39	-1.0	-67.50	331.65	5.17	-62.33
O=C([O-])C1=CN2C=NC(S(=O)(=O)N(CC3CC3)C3CC3)=C2C=C1	REAL300008114622	0	39	-1.0	-45.07	334.37	7.99	-37.08
O=C([O-])C1CCCCN1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114623	0	41	-1.0	-63.12	324.37	6.87	-56.25
O=C([O-])C1=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C(Cl)S1	REAL300008114624	0	33	-1.0	-55.82	310.66	7.03	-48.79
CC1=CC(S(=O)(=O)N(CC2CC2)C2CC2)=CN=C1C(=O)[O-]	REAL300008114625	0	38	-1.0	-50.16	325.95	5.65	-44.51
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N(CC1CC1)C1CC1	REAL300008114626	0	39	-1.0	-63.01	324.70	7.92	-55.09
CCOC1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1C(=O)[O-]	REAL300008114627	0	43	-1.0	-58.73	362.49	7.86	-50.87
O=C([O-])C1CC2=CC=C(S(=O)(=O)N(CC3CC3)C3CC3)C=C2C1	REAL300008114628	0	43	-1.0	-48.65	357.35	8.74	-39.91
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N(CC3CC3)C3CC3)C=C2C=C1	REAL300008114629	0	41	-1.0	-53.98	355.11	7.28	-46.70
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114630	0	39	-1.0	-61.05	325.76	4.55	-56.50
CCC(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114631	0	46	-1.0	-43.29	361.51	6.65	-36.64
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)S1	REAL300008114632	0	31	-1.0	-52.31	282.88	4.22	-48.09
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114633	0	41	-1.0	-59.71	322.60	5.25	-54.46
CC1=CC=C(Br)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114634	0	37	-1.0	-37.61	310.94	5.67	-31.94
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008114635	0	38	-1.0	-54.96	330.16	4.42	-50.54
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008114636	0	40	-1.0	-52.71	343.32	1.51	-51.20
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008114637	0	38	-1.0	-40.58	321.57	4.17	-36.41
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1OC	REAL300008114638	0	45	-1.0	-42.63	352.18	3.82	-38.81
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114639	0	37	-1.0	-38.21	306.88	5.58	-32.63
CC(C)C(CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCC1	REAL300008114640	0	45	-1.0	-38.55	323.57	4.78	-33.77
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114641	0	40	-1.0	-44.38	311.13	3.14	-41.24
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008114642	0	50	-1.0	-54.20	374.79	8.42	-45.78
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008114643	0	40	-1.0	-55.59	328.97	3.31	-52.28
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300008114644	0	34	-1.0	-55.69	289.79	5.41	-50.28
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008114645	0	34	-1.0	-52.37	294.57	5.25	-47.12
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114646	0	39	-1.0	-61.03	303.72	6.42	-54.61
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008114647	0	40	-1.0	-41.47	337.03	6.29	-35.18
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008114648	0	44	-1.0	-66.99	366.09	0.82	-66.17
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114649	0	45	-1.0	-45.58	365.43	5.89	-39.69
CC1=CC(F)=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114650	0	37	-1.0	-41.09	310.65	4.79	-36.30
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008114651	0	40	-1.0	-44.52	320.80	4.86	-39.66
COCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114652	0	41	-1.0	-42.90	337.71	3.72	-39.18
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=N1	REAL300008114653	0	40	-1.0	-51.30	323.24	2.11	-49.19
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008114654	0	43	-1.0	-53.52	367.83	2.27	-51.25
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300008114655	0	39	-1.0	-46.87	323.18	0.44	-46.43
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1C	REAL300008114656	0	44	-1.0	-42.25	334.99	4.95	-37.30
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008114657	0	39	-1.0	-42.42	326.61	5.08	-37.34
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008114658	0	37	-1.0	-56.06	317.78	6.07	-49.99
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008114659	0	39	-1.0	-54.91	315.20	4.93	-49.98
CC(C)C(CC(=O)[O-])NS(=O)(=O)N(C)C1CCOCC1	REAL300008114660	0	43	-1.0	-41.12	309.17	2.30	-38.82
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300008114661	0	43	-1.0	-50.04	339.49	5.28	-44.76
CCN1N=C(C)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1C	REAL300008114662	0	43	-1.0	-47.10	339.60	3.79	-43.31
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)N=C1	REAL300008114663	0	40	-1.0	-53.11	317.77	3.56	-49.55
CC(C)CN1C=NC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114664	0	43	-1.0	-44.94	341.59	5.28	-39.66
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)C=N1	REAL300008114665	0	40	-1.0	-47.16	329.29	4.30	-42.86
CC(C)C1=NC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CN1	REAL300008114666	0	40	-1.0	-46.63	327.83	2.44	-44.19
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008114667	0	46	-1.0	-42.93	327.29	6.54	-36.39
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008114668	0	42	-1.0	-45.49	349.11	3.38	-42.11
COC1=CC(Cl)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1OC	REAL300008114669	0	42	-1.0	-43.58	337.65	3.71	-39.87
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1Br	REAL300008114670	0	37	-1.0	-54.61	312.43	5.81	-48.80
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114671	0	37	-1.0	-41.34	294.57	5.07	-36.27
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008114672	0	40	-1.0	-52.98	340.03	7.02	-45.96
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008114673	0	39	-1.0	-40.31	331.96	6.02	-34.29
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008114674	0	38	-1.0	-53.34	319.75	4.14	-49.20
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008114675	0	41	-1.0	-44.31	345.54	5.23	-39.08
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114676	0	49	-1.0	-43.54	371.57	5.67	-37.87
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008114677	0	37	-1.0	-43.74	315.01	4.93	-38.81
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114678	0	45	-1.0	-47.83	353.16	4.06	-43.77
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008115001	0	41	-1.0	-61.53	349.59	2.02	-59.51
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008115002	0	43	-1.0	-56.39	335.43	5.00	-51.39
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008115003	0	37	-1.0	-56.09	326.66	5.50	-50.59
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008115004	0	59	-1.0	-42.59	463.14	8.99	-33.60
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115005	0	47	-1.0	-55.76	364.35	6.24	-49.52
COC(CS(=O)(=O)NC(CC(=O)[O-])C(C)C)C1CCCC1	REAL300008115006	0	47	-1.0	-56.42	347.68	5.15	-51.27
COC(CS(=O)(=O)NC(CC(=O)[O-])C(C)C)C1CCCCC1	REAL300008115007	0	50	-1.0	-57.55	364.01	5.54	-52.01
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008115008	0	48	-1.0	-53.49	390.40	7.97	-45.52
CCOC(CS(=O)(=O)NC(CC(=O)[O-])C(C)C)C1CC1	REAL300008115009	0	44	-1.0	-58.35	338.82	4.95	-53.40
CCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008115010	0	53	-1.0	-52.90	415.95	7.20	-45.70
CCC1=NC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CN1CC1CC1	REAL300008115011	0	47	-1.0	-51.55	365.62	7.12	-44.43
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008115012	0	37	-1.0	-53.19	313.56	4.05	-49.14
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300008115013	0	42	-1.0	-45.28	337.57	6.45	-38.83
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300008115014	0	41	-1.0	-51.45	320.51	4.53	-46.92
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008115015	0	47	-1.0	-43.94	380.11	6.83	-37.11
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300008115016	0	37	-1.0	-41.42	316.38	2.34	-39.08
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008115017	0	45	-1.0	-54.81	374.55	8.66	-46.15
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008115018	0	44	-1.0	-58.58	351.09	7.64	-50.94
CCC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300008115019	0	47	-1.0	-41.30	360.48	5.99	-35.31
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008115020	0	40	-1.0	-39.46	354.04	5.93	-33.53
CC(C)C(CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008115021	0	35	-2.0	-140.49	305.96	3.22	-137.27
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008115021	1	36	-1.0	-63.42	303.04	3.50	-59.92
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300008115022	0	43	-1.0	-57.47	334.19	7.16	-50.31
CC(C)OC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=N1	REAL300008115023	0	43	-1.0	-50.74	353.65	2.70	-48.04
COC1=C(F)C=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115024	0	38	-1.0	-46.55	314.97	4.49	-42.06
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008115025	0	50	-1.0	-53.86	382.88	6.86	-47.00
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008115026	0	46	-1.0	-53.19	362.72	6.40	-46.79
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008115027	0	53	-1.0	-57.64	399.83	9.24	-48.40
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008115028	0	44	-1.0	-51.33	330.29	4.77	-46.56
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008115029	0	46	-1.0	-42.04	348.47	4.33	-37.71
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008115030	0	44	-1.0	-44.79	345.02	4.59	-40.20
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008115031	0	37	-1.0	-47.39	315.31	3.15	-44.24
COC1=CC=C(F)C=C1CS(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115032	0	41	-1.0	-58.73	330.71	4.88	-53.85
C=CCCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008115033	0	44	-1.0	-42.57	360.06	6.84	-35.73
CCC1=NN(C)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115034	0	40	-1.0	-45.90	320.41	3.13	-42.77
CCCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008115035	0	56	-1.0	-52.78	437.43	7.99	-44.79
CC(C)C(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008115036	0	38	-1.0	-40.71	327.49	6.06	-34.65
CCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300008115037	0	56	-1.0	-54.84	418.21	8.25	-46.59
CCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1CC	REAL300008115038	0	50	-1.0	-53.83	388.82	7.01	-46.82
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115039	0	40	-1.0	-49.90	315.62	6.54	-43.36
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115040	0	40	-1.0	-39.45	335.89	6.19	-33.26
CC(C)C(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008115041	0	38	-1.0	-56.26	323.41	6.36	-49.90
CCCC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115042	0	43	-1.0	-40.21	328.00	6.64	-33.57
COC1=NC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115043	0	37	-1.0	-45.02	300.48	1.95	-43.07
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115044	0	50	-1.0	-47.30	387.16	6.96	-40.34
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008115045	0	39	-1.0	-46.21	310.10	4.75	-41.46
CC1=CSC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115046	0	37	-1.0	-50.75	305.18	4.78	-45.97
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008115047	0	41	-1.0	-55.31	324.38	4.12	-51.19
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300008115048	0	41	-1.0	-49.73	314.73	4.63	-45.10
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008115049	0	44	-1.0	-42.65	333.88	4.73	-37.92
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008115050	0	45	-1.0	-45.54	350.44	2.68	-42.86
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008115051	0	40	-1.0	-46.30	350.28	4.92	-41.38
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300008115052	0	41	-1.0	-52.80	313.62	4.69	-48.11
CCCCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008115053	0	59	-1.0	-53.40	447.38	9.23	-44.17
COC1=CC(C(C)C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C	REAL300008115054	0	50	-1.0	-39.93	371.95	6.18	-33.75
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115055	0	44	-1.0	-41.41	337.90	5.91	-35.50
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300008115056	0	42	-1.0	-61.00	325.66	4.91	-56.09
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300008115057	0	42	-1.0	-44.24	352.30	3.75	-40.49
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008115058	0	40	-1.0	-58.15	327.23	4.95	-53.20
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115059	0	39	-1.0	-53.23	316.73	3.83	-49.40
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008115060	0	43	-1.0	-39.91	316.39	4.73	-35.18
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008115061	0	35	-1.0	-49.18	299.37	2.94	-46.24
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008115062	0	37	-1.0	-55.20	323.16	5.60	-49.60
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300008115063	0	41	-1.0	-48.92	319.41	4.62	-44.30
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1F	REAL300008115064	0	43	-1.0	-52.35	320.31	6.34	-46.01
COC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1OC	REAL300008115065	0	42	-1.0	-48.55	337.98	4.14	-44.41
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300008115066	0	37	-1.0	-44.72	304.86	4.44	-40.28
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300008115067	0	47	-1.0	-45.42	359.98	4.88	-40.54
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115068	0	46	-1.0	-46.96	348.26	4.67	-42.29
CCCCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=N1	REAL300008115069	0	46	-1.0	-46.82	369.09	4.54	-42.28
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300008115070	0	41	-1.0	-54.47	342.81	4.01	-50.46
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008115071	0	38	-1.0	-44.70	322.02	3.64	-41.06
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300008115072	0	39	-1.0	-49.63	314.50	2.68	-46.95
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1Br	REAL300008115073	0	40	-1.0	-38.96	334.00	5.98	-32.98
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCCC(C)(C)C1	REAL300008115074	0	45	-1.0	-55.79	326.06	5.51	-50.28
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008115075	0	40	-1.0	-51.47	340.52	5.63	-45.84
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300008115076	0	44	-1.0	-54.36	358.05	4.53	-49.83
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115077	0	52	-1.0	-39.85	384.46	7.98	-31.87
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008115078	0	40	-1.0	-52.60	345.58	6.46	-46.14
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008115079	0	44	-1.0	-48.25	357.35	4.61	-43.64
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008115080	0	38	-1.0	-43.44	305.25	5.31	-38.13
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008115081	0	45	-1.0	-41.11	373.64	7.52	-33.59
COC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008115082	0	43	-1.0	-53.93	346.29	5.39	-48.54
CCCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115083	0	43	-1.0	-42.04	341.22	6.49	-35.55
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2CCCC2=NN1C	REAL300008115084	0	41	-1.0	-52.57	318.57	4.28	-48.29
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300008115085	0	43	-1.0	-43.19	317.37	3.78	-39.41
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300008115086	0	43	-1.0	-47.23	347.99	3.74	-43.49
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300008115087	0	41	-1.0	-53.04	335.25	3.21	-49.83
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300008115088	0	39	-1.0	-48.49	335.43	3.96	-44.53
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008115089	0	37	-1.0	-38.66	327.97	5.12	-33.54
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115090	0	45	-1.0	-61.11	358.95	6.62	-54.49
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008115091	0	45	-1.0	-42.65	340.23	7.21	-35.44
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008115092	0	40	-1.0	-53.06	334.27	5.52	-47.54
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008115093	0	40	-1.0	-42.32	316.37	5.18	-37.14
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008115094	0	34	-1.0	-40.06	290.87	4.46	-35.60
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008115095	0	41	-1.0	-43.84	332.21	6.14	-37.70
COC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=CS1	REAL300008115096	0	35	-1.0	-57.18	291.58	2.67	-54.51
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008115097	0	44	-1.0	-52.00	342.03	5.22	-46.78
CCC(C)N1N=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115098	0	43	-1.0	-42.72	329.26	3.99	-38.73
CC(C)C(CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCCC1	REAL300008115099	0	48	-1.0	-38.26	337.52	5.24	-33.02
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300008115100	0	48	-1.0	-44.38	369.44	2.95	-41.43
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300008115101	0	40	-1.0	-53.82	327.59	6.11	-47.71
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008115102	0	38	-1.0	-45.55	321.89	3.57	-41.98
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008115103	0	49	-1.0	-40.15	369.40	7.42	-32.73
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)S1	REAL300008115104	0	35	-1.0	-53.17	308.12	2.63	-50.54
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300008115105	0	45	-1.0	-65.04	356.83	6.53	-58.51
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008115106	0	42	-1.0	-38.48	318.34	4.50	-33.98
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(CCF)N=C1	REAL300008115107	0	37	-1.0	-55.20	307.13	3.14	-52.06
CCOCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115108	0	44	-1.0	-56.54	350.20	5.33	-51.21
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300008115109	0	44	-1.0	-46.34	347.71	5.47	-40.87
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008115110	0	47	-1.0	-44.70	364.00	5.19	-39.51
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008115111	0	45	-1.0	-44.72	370.78	6.87	-37.85
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CF	REAL300008115112	0	37	-1.0	-42.05	293.74	5.07	-36.98
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300008115113	0	40	-1.0	-41.51	340.50	5.81	-35.70
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008115114	0	43	-1.0	-45.01	333.58	7.19	-37.82
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300008115115	0	44	-1.0	-49.72	347.89	5.61	-44.11
CC(C)C(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008115116	0	38	-1.0	-54.63	315.57	6.00	-48.63
CC(C)C(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008115117	0	38	-1.0	-40.65	332.05	6.14	-34.51
CC(C)C(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008115118	0	38	-1.0	-54.01	330.45	6.55	-47.46
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008115119	0	39	-1.0	-64.46	317.12	-1.42	-65.88
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008115120	0	37	-1.0	-58.75	302.58	4.95	-53.80
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1CCC(F)(F)CC1	REAL300008115121	0	40	-1.0	-58.29	297.06	4.77	-53.52
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008115122	0	36	-1.0	-54.62	305.14	3.96	-50.66
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCOC1CCOC1	REAL300008115123	0	42	-1.0	-55.70	329.04	1.90	-53.80
CC1=NC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008115124	0	43	-1.0	-61.61	343.78	5.40	-56.21
CC1=NC(S(=O)(=O)[N-]C(CC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008115124	1	42	-2.0	-135.30	354.60	3.92	-131.38
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008115125	0	51	-1.0	-58.49	360.04	7.14	-51.35
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1CC(C)(C)CO1	REAL300008115126	0	44	-1.0	-41.67	335.61	3.47	-38.20
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300008115127	0	37	-1.0	-64.75	304.92	0.31	-64.44
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300008115128	0	42	-1.0	-54.42	313.19	5.00	-49.42
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300008115129	0	42	-1.0	-65.49	343.12	1.55	-63.94
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300008115130	0	47	-1.0	-42.71	349.31	4.63	-38.08
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008115131	0	44	-1.0	-56.65	344.73	7.00	-49.65
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008115132	0	38	-1.0	-46.90	329.12	3.13	-43.77
CC(C)C(CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008115133	0	44	-1.0	-41.74	357.29	7.14	-34.60
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008115134	0	43	-1.0	-42.07	327.85	1.74	-40.33
CC(C)C(CC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008115135	0	47	-1.0	-56.89	350.58	6.27	-50.62
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008115136	0	38	-1.0	-42.72	327.12	5.36	-37.36
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008115137	0	56	-1.0	-55.85	402.61	8.79	-47.06
COC1=CC=C(C=C(C)S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008115138	0	45	-1.0	-54.54	355.17	4.95	-49.59
COC1=CSC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1OC	REAL300008115139	0	39	-1.0	-42.70	323.43	2.37	-40.33
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008115140	0	46	-1.0	-40.62	327.60	5.32	-35.30
CC(C)C(CC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300008115141	0	45	-1.0	-40.30	347.09	6.14	-34.16
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008115142	0	38	-1.0	-43.92	324.58	5.28	-38.64
COC1=CC(F)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(F)=C1	REAL300008115143	0	38	-1.0	-56.50	322.02	3.71	-52.79
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C(C)C)C(F)=C1	REAL300008115143	1	37	-2.0	-129.49	323.17	3.53	-125.96
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008115144	0	38	-1.0	-57.10	319.68	4.19	-52.91
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300008115145	0	40	-1.0	-47.52	327.43	3.96	-43.56
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300008115146	0	41	-1.0	-48.27	336.31	5.74	-42.53
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008115147	0	43	-1.0	-40.96	355.68	4.76	-36.20
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115148	0	47	-1.0	-48.01	371.66	6.35	-41.66
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008115149	0	45	-1.0	-55.16	361.94	7.32	-47.84
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300008115150	0	40	-1.0	-42.03	309.03	6.02	-36.01
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008115151	0	35	-1.0	-55.60	311.94	2.90	-52.70
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115152	0	45	-1.0	-56.04	358.05	6.21	-49.83
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300008115153	0	44	-1.0	-44.91	348.10	4.76	-40.15
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300008115154	0	38	-1.0	-44.07	320.77	3.32	-40.75
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008115155	0	40	-1.0	-53.78	336.85	7.32	-46.46
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008115156	0	44	-1.0	-43.29	373.55	7.89	-35.40
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008115157	0	33	-1.0	-53.27	290.56	3.69	-49.58
CCC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300008115158	0	40	-1.0	-52.02	333.43	6.38	-45.64
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115159	0	47	-1.0	-51.54	358.97	5.77	-45.77
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CS1	REAL300008115160	0	31	-1.0	-39.54	292.19	3.56	-35.98
COCCC1=CC=C(OC)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115161	0	48	-1.0	-59.85	390.03	4.39	-55.46
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008115162	0	40	-1.0	-44.13	333.68	7.22	-36.91
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2COCCC2=NN1C	REAL300008115163	0	42	-1.0	-49.82	332.37	1.79	-48.03
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008115164	0	41	-1.0	-58.49	316.90	6.59	-51.90
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCC(C)(C)CC1	REAL300008115165	0	45	-1.0	-37.89	312.06	4.23	-33.66
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008115166	0	49	-1.0	-43.80	384.17	4.40	-39.40
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115167	0	37	-1.0	-52.77	308.67	1.58	-51.19
COC1=NC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C	REAL300008115168	0	40	-1.0	-51.67	321.70	1.95	-49.72
CC(C)CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=N1	REAL300008115169	0	43	-1.0	-56.27	341.86	4.54	-51.73
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115170	0	43	-1.0	-45.82	336.81	3.74	-42.08
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008115171	0	44	-1.0	-39.00	325.16	1.68	-37.32
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008115172	0	39	-1.0	-56.28	321.59	6.65	-49.63
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300008115173	0	45	-1.0	-47.29	355.80	4.43	-42.86
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)C	REAL300008115174	0	40	-1.0	-43.12	324.40	3.29	-39.83
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300008115175	0	41	-1.0	-51.86	323.67	4.87	-46.99
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008115176	0	41	-1.0	-47.57	333.45	5.01	-42.56
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008115177	0	36	-1.0	-57.81	302.65	3.61	-54.20
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300008115178	0	39	-1.0	-62.64	306.22	4.89	-57.75
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=NN1C(C)C	REAL300008115179	0	43	-1.0	-41.74	336.57	3.87	-37.87
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008115180	0	48	-1.0	-53.61	384.16	8.09	-45.52
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008115181	0	39	-1.0	-50.18	311.92	5.46	-44.72
CC1=CN=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1	REAL300008115182	0	39	-1.0	-44.65	316.17	3.53	-41.12
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CC=C(Br)CC1	REAL300008115183	0	37	-1.0	-38.44	313.96	4.03	-34.41
CC(C)C(CC(=O)[O-])NS(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300008115184	0	42	-1.0	-47.46	332.57	-0.02	-47.48
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CC2CCC(C1)O2	REAL300008115185	0	41	-1.0	-53.09	316.75	2.44	-50.65
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCC(C#N)CC1	REAL300008115186	0	40	-1.0	-37.94	312.19	4.24	-33.70
COC1=CC=NC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115187	0	37	-1.0	-47.22	309.05	1.47	-45.75
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300008115188	0	41	-1.0	-59.78	318.88	5.16	-54.62
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)N=C1	REAL300008115189	0	37	-1.0	-56.71	310.70	1.59	-55.12
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115190	0	40	-1.0	-52.96	330.12	2.77	-50.19
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008115191	0	39	-1.0	-44.57	317.02	4.33	-40.24
CCOC1=CC=CN=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008115192	0	40	-1.0	-65.11	313.77	4.82	-60.29
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300008115193	0	42	-1.0	-63.18	330.88	5.82	-57.36
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008115194	0	38	-1.0	-45.25	303.24	3.92	-41.33
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCC(F)(F)C1	REAL300008115195	0	36	-1.0	-41.11	283.52	3.15	-37.96
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008115196	0	36	-1.0	-48.30	313.64	3.07	-45.23
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008115197	0	41	-1.0	-54.36	345.71	5.51	-48.85
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008115198	0	47	-1.0	-60.13	362.33	6.79	-53.34
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008115199	0	41	-1.0	-54.40	314.34	4.16	-50.24
CCC(C)(CC)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008115200	0	37	-1.0	-44.26	295.87	5.79	-38.47
CCC(C)(CC)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008115201	0	41	-1.0	-47.56	322.57	4.57	-42.99
CCC(C)(CC)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300008115202	0	41	-1.0	-45.16	326.33	5.26	-39.90
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008115203	0	43	-1.0	-57.21	324.20	5.65	-51.56
CCC(C)(CC)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008115204	0	44	-1.0	-52.49	346.75	4.04	-48.45
CCC(C)(CC)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008115205	0	40	-1.0	-42.76	319.70	6.15	-36.61
CCC(C)(CC)NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008115206	0	40	-1.0	-50.89	316.38	6.63	-44.26
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300008115207	0	42	-1.0	-41.49	329.13	5.28	-36.21
CCC(C)(CC)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008115208	0	37	-1.0	-46.15	308.47	4.84	-41.31
CCC(C)(CC)NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008115209	0	37	-1.0	-46.19	313.04	4.93	-41.26
CCC(C)(CC)NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008115210	0	41	-1.0	-57.03	319.00	4.39	-52.64
CCC(C)(CC)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008115211	0	42	-1.0	-51.65	323.72	4.84	-46.81
CCC(C)(CC)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008115212	0	44	-1.0	-52.49	346.75	4.04	-48.45
CCC(C)(CC)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008115213	0	37	-1.0	-46.15	308.47	4.84	-41.31
CCC(C)(CC)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008115214	0	37	-1.0	-48.63	288.29	4.70	-43.93
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008115215	0	40	-1.0	-50.33	315.90	5.37	-44.96
CCC(C)(CC)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008115216	0	43	-1.0	-50.56	338.68	5.67	-44.89
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008115217	0	41	-1.0	-54.40	314.34	4.16	-50.24
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300008115218	0	41	-1.0	-45.63	326.35	4.41	-41.22
CCC(C)(CC)NS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300008115219	0	38	-1.0	-47.67	308.26	2.67	-45.00
CCC(C)(CC)NS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300008115220	0	40	-1.0	-47.55	328.20	5.44	-42.11
CCC(C)(CC)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008115221	0	42	-1.0	-48.30	328.48	4.97	-43.33
CCC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008115222	0	40	-1.0	-46.50	318.97	5.02	-41.48
CCC(C)(CC)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008115223	0	44	-1.0	-49.12	334.55	6.09	-43.03
CCC1=C(S(=O)(=O)NC(C)(CC)CC)C=C(C(=O)[O-])O1	REAL300008115224	0	40	-1.0	-52.32	311.09	4.02	-48.30
CCC(C)(CC)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008115225	0	39	-1.0	-44.12	303.81	5.64	-38.48
CCC(C)(CC)NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008115226	0	40	-1.0	-49.94	329.57	5.81	-44.13
CCC(C)(CC)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008115227	0	39	-1.0	-38.85	303.45	5.63	-33.22
CCC(C)(CC)NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008115228	0	39	-1.0	-46.59	302.69	3.02	-43.57
CCC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008115229	0	41	-1.0	-48.10	314.51	4.15	-43.95
CCC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008115230	0	41	-1.0	-53.39	318.96	4.41	-48.98
CCC(C)(CC)NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300008115231	0	44	-1.0	-57.89	327.79	4.61	-53.28
CCC(C)(CC)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008115232	0	40	-1.0	-50.71	319.26	5.14	-45.57
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008115233	0	40	-1.0	-44.91	330.41	5.30	-39.61
CCC(C)(CC)NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008115234	0	46	-1.0	-49.74	345.50	5.94	-43.80
CCC(C)(CC)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008115235	0	43	-1.0	-50.23	321.50	6.29	-43.94
CCC(C)(CC)NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008115236	0	37	-1.0	-44.17	300.46	5.90	-38.27
CCC(C)(CC)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008115237	0	37	-1.0	-49.70	303.09	4.65	-45.05
CCC(C)(CC)NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300008115238	0	41	-1.0	-49.09	310.41	4.45	-44.64
CCC(C)(CC)NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300008115239	0	49	-1.0	-49.58	380.90	5.51	-44.07
CCC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008115240	0	39	-2.0	-134.46	318.01	5.32	-129.14
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300008115241	0	44	-1.0	-53.16	332.07	4.20	-48.96
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008115242	0	34	-1.0	-45.64	291.94	3.15	-42.49
CCC(C)(CC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008115242	1	33	-2.0	-93.92	293.51	3.20	-90.72
CCC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008115243	0	43	-1.0	-50.21	327.94	6.57	-43.64
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(CC)CC	REAL300008115244	0	44	-1.0	-53.90	341.35	5.12	-48.78
CCC(C)(CC)NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300008115245	0	41	-1.0	-51.72	309.34	4.60	-47.12
CCC(C)(CC)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008115246	0	43	-1.0	-51.29	337.73	6.57	-44.72
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008115247	0	37	-1.0	-49.01	301.04	4.02	-44.99
CCC(C)(CC)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008115248	0	43	-1.0	-52.32	319.65	7.18	-45.14
CCC(C)(CC)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008115249	0	40	-1.0	-45.93	316.47	5.85	-40.08
CCC(C)(CC)NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008115250	0	37	-1.0	-48.13	319.82	4.83	-43.30
CCC(C)(CC)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008115251	0	40	-1.0	-60.50	318.27	3.26	-57.24
CCC(C)(CC)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008115252	0	40	-1.0	-44.22	318.02	5.89	-38.33
CCC(C)(CC)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008115253	0	34	-1.0	-42.53	292.29	4.74	-37.79
CCC(C)(CC)NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008115254	0	39	-1.0	-49.99	302.90	2.82	-47.17
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC)C=C1C(=O)[O-]	REAL300008115255	0	44	-1.0	-58.77	339.73	5.23	-53.54
CCC(C)(CC)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008115256	0	44	-1.0	-48.34	337.13	6.20	-42.14
CCC(C)(CC)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008115257	0	42	-1.0	-54.40	333.46	4.70	-49.70
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300008115258	0	36	-1.0	-54.44	314.43	5.55	-48.89
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300008115258	1	37	0.0	-64.85	317.03	5.99	-58.86
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CCN12	REAL300008115259	0	36	-1.0	-60.98	313.60	5.48	-55.50
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CCN12	REAL300008115259	1	37	0.0	-69.66	316.61	5.96	-63.70
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CCN12	REAL300008115260	0	39	-1.0	-56.84	328.41	6.30	-50.54
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CCN12	REAL300008115260	1	40	0.0	-76.00	323.93	6.38	-69.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=NC=C2C1	REAL300008115261	0	40	-1.0	-54.86	337.35	5.38	-49.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=[NH+]C=C2C1	REAL300008115261	1	41	0.0	-71.77	340.34	5.82	-65.95
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CCN12	REAL300008115262	0	39	-1.0	-60.36	330.48	6.06	-54.30
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CCN12	REAL300008115262	1	40	0.0	-68.62	332.59	6.50	-62.12
CC1=NC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)CCN12	REAL300008115263	0	33	-1.0	-63.26	300.36	5.28	-57.98
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)CCN12	REAL300008115263	1	34	0.0	-77.85	301.00	5.54	-72.31
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CCN12	REAL300008115264	0	36	-1.0	-60.98	313.60	5.48	-55.50
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CCN12	REAL300008115264	1	37	0.0	-69.66	316.61	5.96	-63.70
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300008115265	0	36	-1.0	-54.44	314.43	5.55	-48.89
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300008115265	1	37	0.0	-64.85	317.03	5.99	-58.86
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CCN12	REAL300008115266	0	36	-1.0	-68.32	305.51	6.67	-61.65
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CCN12	REAL300008115266	1	37	0.0	-79.89	308.88	7.13	-72.76
CC1=NC=C2CN(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)CCN12	REAL300008115267	0	34	-1.0	-58.27	302.96	3.26	-55.01
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C[N-]C(C(=O)[O-])=C3)CCN21	REAL300008115267	1	34	-1.0	-122.45	301.71	3.26	-119.19
CC1=NC=C2CN(S(=O)(=O)C3=CN(CC(=O)[O-])N=C3)CCN12	REAL300008115268	0	36	-1.0	-55.77	317.75	3.63	-52.14
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CN(CC(=O)[O-])N=C3)CCN21	REAL300008115268	1	37	0.0	-70.95	321.17	4.10	-66.85
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)CCN12	REAL300008115269	0	33	-1.0	-54.12	305.87	4.60	-49.52
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)CCN12	REAL300008115269	1	34	0.0	-66.89	308.83	5.09	-61.80
CC1=NC=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCN12	REAL300008115270	0	33	-1.0	-50.61	287.09	2.45	-48.16
CC1=[NH+]C=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCN21	REAL300008115270	1	34	0.0	-69.55	293.95	2.91	-66.64
CC1=NC=C2CN(S(=O)(=O)N3CCCC(C(=O)[O-])C3)CCN12	REAL300008115271	0	41	-1.0	-51.59	330.95	4.62	-46.97
CC1=[NH+]C=C2CN(S(=O)(=O)N3CCCC(C(=O)[O-])C3)CCN12	REAL300008115271	1	42	0.0	-65.83	334.37	5.10	-60.73
CC1=NC=C2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCN12	REAL300008115272	0	41	-1.0	-53.24	328.59	4.54	-48.70
CC1=[NH+]C=C2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCN12	REAL300008115272	1	42	0.0	-52.35	332.02	5.01	-47.34
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CCN12	REAL300008115273	0	36	-1.0	-68.32	305.51	6.67	-61.65
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CCN12	REAL300008115273	1	37	0.0	-79.89	308.88	7.13	-72.76
CC1=NC=C2CN(S(=O)(=O)C3=CC(Cl)=CC=C3C(=O)[O-])CCN12	REAL300008115274	0	36	-1.0	-55.77	320.52	6.96	-48.81
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(Cl)=CC=C3C(=O)[O-])CCN12	REAL300008115274	1	37	0.0	-71.40	324.51	7.52	-63.88
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCN12	REAL300008115275	0	33	-1.0	-51.79	297.94	3.87	-47.92
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCN12	REAL300008115275	1	34	0.0	-67.68	301.33	4.33	-63.35
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)CCN12	REAL300008115276	0	36	-1.0	-52.99	319.04	4.43	-48.56
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)CCN12	REAL300008115276	1	37	0.0	-66.90	321.17	4.87	-62.03
CC1=NC=C2CN(S(=O)(=O)N3CCCC3C(=O)[O-])CCN12	REAL300008115277	0	38	-1.0	-60.78	314.20	4.49	-56.29
CC1=[NH+]C=C2CN(S(=O)(=O)N3CCCC3C(=O)[O-])CCN12	REAL300008115277	1	39	0.0	-72.93	317.62	4.96	-67.97
CC1=NC=C2CN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300008115278	0	39	-1.0	-62.99	336.92	6.24	-56.75
CC1=[NH+]C=C2CN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300008115278	1	40	0.0	-81.49	340.87	6.72	-74.77
CC1=NC=C2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCN12	REAL300008115279	0	41	-1.0	-53.24	328.59	4.54	-48.70
CC1=[NH+]C=C2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCN12	REAL300008115279	1	42	0.0	-52.35	332.02	5.01	-47.34
CC1=NC=C2CN(S(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)CCN12	REAL300008115280	0	39	-1.0	-65.52	336.93	6.22	-59.30
CC1=[NH+]C=C2CN(S(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)CCN12	REAL300008115280	1	40	0.0	-79.28	340.87	6.71	-72.57
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCN12	REAL300008115281	0	33	-1.0	-51.79	297.94	3.87	-47.92
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCN12	REAL300008115281	1	34	0.0	-67.68	301.33	4.33	-63.35
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)CCN12	REAL300008115282	0	40	-1.0	-53.62	345.52	5.80	-47.82
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)CCN12	REAL300008115282	1	41	0.0	-65.88	348.11	6.24	-59.64
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCN2C(C)=NC=C2C1	REAL300008115283	0	40	-1.0	-49.21	350.01	6.42	-42.79
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCN2C(C)=[NH+]C=C2C1	REAL300008115283	1	41	0.0	-60.43	353.66	6.91	-53.52
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CCN12	REAL300008115284	0	33	-1.0	-51.76	307.63	4.55	-47.21
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CCN12	REAL300008115284	1	34	0.0	-66.68	309.76	5.00	-61.68
CC1=NC=C2CN(S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)CCN12	REAL300008115285	0	42	-1.0	-62.85	337.35	6.44	-56.41
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C)C(C)=CC(C(=O)[O-])=C3)CCN12	REAL300008115285	1	43	0.0	-76.67	341.09	6.90	-69.77
CC1=NC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C(C)=CC=C3)CCN12	REAL300008115286	0	39	-1.0	-66.58	329.20	6.47	-60.11
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C(C)=CC=C3)CCN12	REAL300008115286	1	40	0.0	-56.93	324.05	6.83	-50.10
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCN3C(C)=NC=C3C2)=C1	REAL300008115287	0	43	-1.0	-58.89	368.23	5.20	-53.69
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)=C1	REAL300008115287	1	44	0.0	-70.35	371.65	5.67	-64.68
CC1=NC=C2CN(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)CCN12	REAL300008115288	0	33	-1.0	-53.01	306.10	4.56	-48.45
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)CCN12	REAL300008115288	1	34	0.0	-68.04	308.27	5.00	-63.04
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(F)(F)F)=CC=C3C(=O)[O-])CCN12	REAL300008115289	0	39	-1.0	-53.91	342.48	7.45	-46.46
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(F)(F)F)=CC=C3C(=O)[O-])CCN12	REAL300008115289	1	40	0.0	-69.18	347.65	8.16	-61.02
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)CCN12	REAL300008115290	0	39	-1.0	-56.97	315.52	5.68	-51.29
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)CCN12	REAL300008115290	1	40	0.0	-65.33	319.59	6.27	-59.06
CC1=NC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])SC4=CC=CC=C43)CCN12	REAL300008115291	0	39	-1.0	-51.33	333.44	7.38	-43.95
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C(=O)[O-])SC4=CC=CC=C43)CCN12	REAL300008115291	1	40	0.0	-60.37	338.42	7.93	-52.44
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)CCN12	REAL300008115292	0	39	-1.0	-52.75	336.62	6.30	-46.45
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)CCN12	REAL300008115292	1	40	0.0	-66.83	339.21	6.74	-60.09
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C3)CCN12	REAL300008115293	0	41	-1.0	-45.15	354.11	6.64	-38.51
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C3)CCN12	REAL300008115293	1	42	0.0	-60.72	354.85	7.00	-53.72
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CCN12	REAL300008115294	0	33	-1.0	-52.84	299.01	3.64	-49.20
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CCN12	REAL300008115294	1	34	0.0	-62.48	302.03	4.05	-58.43
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CCN12	REAL300008115295	0	39	-1.0	-57.42	335.77	6.25	-51.17
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CCN12	REAL300008115295	1	40	0.0	-69.56	338.78	6.73	-62.83
CC1=NC=C2CN(S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)CCN12	REAL300008115296	0	36	-1.0	-54.54	310.65	4.42	-50.12
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)CCN12	REAL300008115296	1	37	0.0	-73.82	314.55	4.93	-68.89
CC1=NC=C2CN(S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)CCN12	REAL300008115297	0	35	-1.0	-54.31	309.61	3.72	-50.59
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)CCN21	REAL300008115297	1	36	0.0	-64.76	311.78	4.18	-60.58
CC1=NC=C2CN(S(=O)(=O)C3=CSN=C3C(=O)[O-])CCN12	REAL300008115298	0	32	-1.0	-67.98	294.04	3.69	-64.29
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CSN=C3C(=O)[O-])CCN21	REAL300008115298	1	33	0.0	-81.94	297.29	4.16	-77.78
CC1=NC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])N=CS3)CCN12	REAL300008115299	0	32	-1.0	-67.85	295.53	3.31	-64.54
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C(=O)[O-])N=CS3)CCN21	REAL300008115299	1	33	0.0	-81.49	298.95	3.78	-77.71
CC1=NC=C2CN(S(=O)(=O)C3=CC=CN=C3C(=O)[O-])CCN12	REAL300008115300	0	35	-1.0	-71.04	299.90	4.72	-66.32
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CN=C3C(=O)[O-])CCN21	REAL300008115300	1	36	0.0	-84.28	305.75	5.32	-78.96
CC1=NC=C2CN(S(=O)(=O)CCCCCC(=O)[O-])CCN12	REAL300008115301	0	41	-1.0	-57.99	342.15	5.69	-52.30
CC1=[NH+]C=C2CN(S(=O)(=O)CCCCCC(=O)[O-])CCN12	REAL300008115301	1	42	0.0	-73.38	346.10	6.17	-67.21
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)CCN12	REAL300008115302	0	35	-1.0	-55.56	309.04	3.73	-51.83
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)CCN21	REAL300008115302	1	36	0.0	-71.72	312.47	4.19	-67.53
CC1=NC=C2CN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CCN12	REAL300008115303	0	36	-1.0	-52.21	329.88	6.00	-46.21
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CCN12	REAL300008115303	1	37	0.0	-64.23	333.31	6.47	-57.76
COC1=CC=C(S(=O)(=O)N2CCN3C(C)=NC=C3C2)C=C1C(=O)[O-]	REAL300008115304	0	40	-1.0	-59.11	341.73	5.60	-53.51
COC1=CC=C(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)C=C1C(=O)[O-]	REAL300008115304	1	41	0.0	-74.08	343.86	6.05	-68.03
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)CCN12	REAL300008115305	0	39	-1.0	-54.14	330.48	6.08	-48.06
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)CCN12	REAL300008115305	1	40	0.0	-69.23	332.61	6.51	-62.72
CC1=NC=C2CN(S(=O)(=O)N(C)CCC(=O)[O-])CCN12	REAL300008115306	0	37	-1.0	-53.40	313.16	3.67	-49.73
CC1=[NH+]C=C2CN(S(=O)(=O)N(C)CCC(=O)[O-])CCN12	REAL300008115306	1	38	0.0	-62.63	316.44	4.15	-58.48
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC4=C(C(=O)[O-])N=CC=C34)CCN12	REAL300008115307	0	41	-1.0	-58.36	336.39	5.39	-52.97
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC4=C(C(=O)[O-])N=CC=C34)CCN21	REAL300008115307	1	42	0.0	-74.21	343.90	6.02	-68.19
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCN3C(C)=NC=C3C2)=C1	REAL300008115308	0	43	-1.0	-58.89	368.23	5.20	-53.69
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)=C1	REAL300008115308	1	44	0.0	-70.35	371.65	5.67	-64.68
CC1=NC=C2CN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CCN12	REAL300008115309	0	36	-1.0	-52.21	329.88	6.00	-46.21
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CCN12	REAL300008115309	1	37	0.0	-64.23	333.31	6.47	-57.76
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCN2C(C)=NC=C2C1	REAL300008115310	0	36	-1.0	-51.46	306.86	5.65	-45.81
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCN2C(C)=[NH+]C=C2C1	REAL300008115310	1	37	0.0	-57.44	309.36	6.08	-51.36
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)CCN12	REAL300008115311	0	39	-1.0	-55.94	334.40	6.34	-49.60
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)CCN12	REAL300008115311	1	40	0.0	-70.34	337.83	6.81	-63.53
CC1=NC=C2CN(S(=O)(=O)C3=CC=C4OC(C(=O)[O-])=C(C)C4=C3)CCN12	REAL300008115312	0	42	-1.0	-56.63	360.10	6.85	-49.78
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C4OC(C(=O)[O-])=C(C)C4=C3)CCN12	REAL300008115312	1	43	0.0	-73.89	363.52	7.32	-66.57
CC1=NC=C2CN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300008115313	0	39	-1.0	-62.99	336.92	6.24	-56.75
CC1=[NH+]C=C2CN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CCN12	REAL300008115313	1	40	0.0	-81.49	340.87	6.72	-74.77
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=NC=C2C1	REAL300008115314	0	40	-1.0	-54.86	337.35	5.38	-49.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=[NH+]C=C2C1	REAL300008115314	1	41	0.0	-71.77	340.34	5.82	-65.95
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CCN12	REAL300008115315	0	39	-1.0	-60.36	330.48	6.06	-54.30
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CCN12	REAL300008115315	1	40	0.0	-68.62	332.59	6.50	-62.12
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CCN12	REAL300008115316	0	39	-1.0	-56.84	328.41	6.30	-50.54
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CCN12	REAL300008115316	1	40	0.0	-76.00	323.93	6.38	-69.62
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=NC=C2C1	REAL300008115317	0	40	-1.0	-50.32	340.44	5.59	-44.73
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=[NH+]C=C2C1	REAL300008115317	1	41	0.0	-63.86	343.86	6.06	-57.80
CC1=NC=C2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CCN12	REAL300008115318	0	39	-1.0	-52.52	325.04	5.37	-47.15
CC1=[NH+]C=C2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CCN12	REAL300008115318	1	40	0.0	-64.55	327.65	5.82	-58.73
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CCN12	REAL300008115319	0	39	-1.0	-57.42	335.77	6.25	-51.17
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CCN12	REAL300008115319	1	40	0.0	-69.56	338.78	6.73	-62.83
COC1=C(S(=O)(=O)N2CCN3C(C)=NC=C3C2)SC(C(=O)[O-])=C1	REAL300008115320	0	37	-1.0	-52.12	335.03	4.72	-47.40
COC1=C(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)SC(C(=O)[O-])=C1	REAL300008115320	1	38	0.0	-64.24	337.16	5.16	-59.08
CC1=NC=C2CN(S(=O)(=O)C3=CC=C4OC(C(=O)[O-])CC4=C3)CCN12	REAL300008115321	0	41	-1.0	-53.59	350.00	6.17	-47.42
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C4OC(C(=O)[O-])CC4=C3)CCN12	REAL300008115321	1	42	0.0	-72.24	353.40	6.64	-65.60
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)CCN12	REAL300008115322	0	39	-1.0	-52.69	344.56	6.35	-46.34
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)CCN12	REAL300008115322	1	40	0.0	-68.86	346.69	6.78	-62.08
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)CCN12	REAL300008115323	0	43	-1.0	-55.38	360.56	7.41	-47.97
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)CCN12	REAL300008115323	1	44	0.0	-70.56	363.18	7.84	-62.72
CCC1=C(S(=O)(=O)N2CCN3C(C)=NC=C3C2)C=C(C(=O)[O-])O1	REAL300008115324	0	39	-1.0	-59.47	327.88	5.00	-54.47
CCC1=C(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)C=C(C(=O)[O-])O1	REAL300008115324	1	40	0.0	-73.32	335.17	5.58	-67.74
CC1=NC=C2CN(S(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])CCN12	REAL300008115325	0	38	-1.0	-63.74	332.59	7.20	-56.54
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])CCN12	REAL300008115325	1	39	0.0	-78.24	335.98	7.67	-70.57
CC1=NC=C2CN(S(=O)(=O)C3=CC=C4SC(C(=O)[O-])=CC4=C3)CCN12	REAL300008115326	0	39	-1.0	-56.65	351.02	7.00	-49.65
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C4SC(C(=O)[O-])=CC4=C3)CCN12	REAL300008115326	1	40	0.0	-72.36	354.44	7.47	-64.89
CC1=NC=C2CN(S(=O)(=O)C3=CC([N+](=O)[O-])=CC=C3C(=O)[O-])CCN12	REAL300008115327	0	38	-1.0	-50.52	331.97	7.12	-43.40
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC([N+](=O)[O-])=CC=C3C(=O)[O-])CCN12	REAL300008115327	1	39	0.0	-65.12	335.96	7.66	-57.46
CC1=NC=C2CN(S(=O)(=O)C3=CN=C(C)C(C(=O)[O-])=C3)CCN12	REAL300008115328	0	38	-1.0	-48.55	325.05	4.19	-44.36
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CN=C(C)C(C(=O)[O-])=C3)CCN21	REAL300008115328	1	39	0.0	-63.06	328.06	4.68	-58.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCN2C(C)=NC=C2C1	REAL300008115329	0	40	-1.0	-52.26	336.91	5.36	-46.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCN2C(C)=[NH+]C=C2C1	REAL300008115329	1	41	0.0	-68.09	340.31	5.83	-62.26
COC1=CC(S(=O)(=O)N2CCN3C(C)=NC=C3C2)=CC=C1C(=O)[O-]	REAL300008115330	0	40	-1.0	-59.63	341.72	5.61	-54.02
COC1=CC(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)=CC=C1C(=O)[O-]	REAL300008115330	1	41	0.0	-75.53	343.85	6.06	-69.47
COC1=CC=C(S(=O)(=O)N2CCN3C(C)=NC=C3C2)C(CC(=O)[O-])=C1	REAL300008115331	0	43	-1.0	-64.24	356.74	6.11	-58.13
COC1=CC=C(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)C(CC(=O)[O-])=C1	REAL300008115331	1	44	0.0	-76.76	359.62	6.78	-69.98
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C(F)=C3)CCN12	REAL300008115332	0	39	-1.0	-54.38	342.06	6.35	-48.03
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C(F)=C3)CCN12	REAL300008115332	1	40	0.0	-71.39	344.23	6.79	-64.60
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(F)(F)F)=C3)CCN12	REAL300008115333	0	39	-1.0	-51.02	352.23	6.50	-44.52
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(F)(F)F)=C3)CCN12	REAL300008115333	1	40	0.0	-63.47	355.66	6.97	-56.50
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(C)(C)C(=O)[O-])C=C3)CCN12	REAL300008115334	0	45	-1.0	-52.83	367.60	7.16	-45.67
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(C)(C)C(=O)[O-])C=C3)CCN12	REAL300008115334	1	46	0.0	-68.66	371.95	7.63	-61.03
CC1=NC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CCN12	REAL300008115335	0	36	-1.0	-50.27	303.42	3.77	-46.50
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CCN21	REAL300008115335	1	37	0.0	-62.95	306.84	4.25	-58.70
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CCN12	REAL300008115336	0	42	-1.0	-56.60	340.16	7.18	-49.42
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CCN12	REAL300008115336	1	43	0.0	-73.14	347.64	7.81	-65.33
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCN3C(C)=NC=C3C2)=C1	REAL300008115337	0	36	-1.0	-58.45	317.16	4.49	-53.96
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)=C1	REAL300008115337	1	37	0.0	-68.65	319.31	4.93	-63.72
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)CCN12	REAL300008115338	0	36	-1.0	-51.95	326.96	5.92	-46.03
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)CCN12	REAL300008115338	1	37	0.0	-67.41	329.10	6.36	-61.05
CC1=NC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CCN12	REAL300008115339	0	33	-1.0	-63.10	295.36	3.94	-59.16
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CCN12	REAL300008115339	1	34	0.0	-75.62	297.92	4.39	-71.23
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCN3C(C)=NC=C3C2)=C1	REAL300008115340	0	40	-1.0	-60.86	333.18	5.75	-55.11
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)=C1	REAL300008115340	1	41	0.0	-75.14	338.25	6.46	-68.68
CC1=NC=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCN12	REAL300008115341	0	33	-1.0	-50.61	287.09	2.45	-48.16
CC1=[NH+]C=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCN21	REAL300008115341	1	34	0.0	-69.55	293.95	2.91	-66.64
CC1=NC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CCN12	REAL300008115342	0	36	-1.0	-50.27	303.42	3.77	-46.50
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CCN21	REAL300008115342	1	37	0.0	-62.95	306.84	4.25	-58.70
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CCN12	REAL300008115343	0	38	-2.0	-144.18	341.30	6.50	-137.68
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CCN12	REAL300008115343	1	39	-1.0	-143.89	343.47	6.93	-136.96
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=NC=C2C1	REAL300008115344	0	43	-1.0	-54.74	358.41	5.60	-49.14
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=[NH+]C=C2C1	REAL300008115344	1	44	0.0	-74.27	357.07	5.64	-68.63
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CCN12	REAL300008115345	0	35	-1.0	-51.59	310.23	3.66	-47.93
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CCN21	REAL300008115345	1	36	0.0	-63.41	312.79	4.10	-59.31
CC1=NC=C2CN(S(=O)(=O)CC3=CC=CC=C3C(=O)[O-])CCN12	REAL300008115346	0	39	-1.0	-53.64	328.23	6.66	-46.98
CC1=[NH+]C=C2CN(S(=O)(=O)CC3=CC=CC=C3C(=O)[O-])CCN12	REAL300008115346	1	40	0.0	-64.35	330.83	7.09	-57.26
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CCN12	REAL300008115347	0	33	-1.0	-49.58	313.67	4.18	-45.40
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CCN12	REAL300008115347	1	34	0.0	-59.79	316.68	4.59	-55.20
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C4=CC=CC=C43)CCN12	REAL300008115348	0	42	-1.0	-58.22	340.16	7.19	-51.03
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C4=CC=CC=C43)CCN12	REAL300008115348	1	43	0.0	-73.92	347.37	7.82	-66.10
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=NC=C2C1	REAL300008115349	0	43	-1.0	-54.43	356.63	6.18	-48.25
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2C(C)=[NH+]C=C2C1	REAL300008115349	1	44	0.0	-71.22	362.18	6.75	-64.47
COC1=CC=C(S(=O)(=O)N2CCN3C(C)=NC=C3C2)C(C(=O)[O-])=C1	REAL300008115350	0	40	-1.0	-69.93	334.95	5.98	-63.95
COC1=CC=C(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)C(C(=O)[O-])=C1	REAL300008115350	1	41	0.0	-81.66	338.38	6.45	-75.21
CC1=NC=C2CN(S(=O)(=O)C3=CC=NC(C(=O)[O-])=C3)CCN12	REAL300008115351	0	35	-1.0	-63.17	310.51	3.76	-59.41
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=NC(C(=O)[O-])=C3)CCN21	REAL300008115351	1	36	0.0	-73.22	312.67	4.19	-69.03
CC1=NC=C2CN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCN12	REAL300008115352	0	33	-1.0	-46.76	296.66	1.77	-44.99
CC1=[NH+]C=C2CN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCN21	REAL300008115352	1	34	0.0	-60.71	300.05	2.24	-58.47
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=NN3C)CCN12	REAL300008115353	0	36	-1.0	-56.63	318.40	3.21	-53.42
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=NN3C)CCN21	REAL300008115353	1	37	0.0	-74.78	317.11	3.77	-71.01
CC1=NC=C2CN(S(=O)(=O)C3=CC4=CC=C(C(=O)[O-])C=C4C=C3)CCN12	REAL300008115354	0	42	-1.0	-57.47	360.35	7.79	-49.68
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC4=CC=C(C(=O)[O-])C=C4C=C3)CCN12	REAL300008115354	1	43	0.0	-75.29	362.48	8.24	-67.05
CC1=NC=C2CN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CCN12	REAL300008115355	0	39	-1.0	-59.76	317.18	5.06	-54.70
CC1=[NH+]C=C2CN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CCN12	REAL300008115355	1	40	0.0	-74.04	323.64	5.71	-68.33
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)S3)CCN12	REAL300008115356	0	36	-1.0	-53.83	324.08	5.21	-48.62
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)S3)CCN12	REAL300008115356	1	37	0.0	-62.76	328.31	5.67	-57.09
CC1=NC=C2CN(S(=O)(=O)C3=CC4=CC=CC=C4C=C3C(=O)[O-])CCN12	REAL300008115357	0	42	-1.0	-65.09	349.55	8.71	-56.38
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC4=CC=CC=C4C=C3C(=O)[O-])CCN12	REAL300008115357	1	43	0.0	-83.43	354.61	9.43	-74.00
CC1=NC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(F)(F)F)CCN12	REAL300008115358	0	39	-1.0	-48.91	338.07	6.87	-42.04
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(F)(F)F)CCN12	REAL300008115358	1	40	0.0	-55.49	344.80	7.46	-48.03
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CCN12	REAL300008115359	0	39	-1.0	-62.61	326.76	6.99	-55.62
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CCN12	REAL300008115359	1	40	0.0	-74.89	328.33	7.29	-67.60
CC1=NC=C2CN(S(=O)(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)CCN12	REAL300008115360	0	36	-1.0	-53.01	342.90	6.09	-46.92
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)CCN12	REAL300008115360	1	37	0.0	-69.99	346.29	6.56	-63.43
CC1=NC=C2CN(S(=O)(=O)C3=C4C=CC=CN4C(C(=O)[O-])=N3)CCN12	REAL300008115361	0	39	-1.0	-62.88	341.06	4.09	-58.79
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C4C=CC=CN4C(C(=O)[O-])=N3)CCN21	REAL300008115361	1	40	0.0	-72.61	344.48	4.57	-68.04
CC1=NC=C2CN(S(=O)(=O)C3=C4C=CC(C(=O)[O-])=CN4C=N3)CCN12	REAL300008115362	0	39	-1.0	-48.42	341.02	6.78	-41.64
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C4C=CC(C(=O)[O-])=CN4C=N3)CCN21	REAL300008115362	1	40	0.0	-64.04	344.67	7.18	-56.86
CC1=NC=C2CN(S(=O)(=O)N3CCCCC3C(=O)[O-])CCN12	REAL300008115363	0	41	-1.0	-46.45	313.59	5.13	-41.32
CC1=[NH+]C=C2CN(S(=O)(=O)N3CCCCC3C(=O)[O-])CCN12	REAL300008115363	1	42	0.0	-54.31	316.98	5.61	-48.70
CC1=NC=C2CN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCN12	REAL300008115364	0	33	-1.0	-46.76	296.66	1.77	-44.99
CC1=[NH+]C=C2CN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCN21	REAL300008115364	1	34	0.0	-60.71	300.05	2.24	-58.47
CC1=NC=C2CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CCN12	REAL300008115365	0	38	-1.0	-62.15	314.48	4.48	-57.67
CC1=[NH+]C=C2CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CCN12	REAL300008115365	1	39	0.0	-75.72	317.90	4.96	-70.76
CC1=NC=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCN12	REAL300008115366	0	33	-1.0	-50.61	287.09	2.45	-48.16
CC1=[NH+]C=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCN21	REAL300008115366	1	34	0.0	-69.55	293.95	2.91	-66.64
CC1=NC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])SC(Cl)=C3)CCN12	REAL300008115367	0	33	-1.0	-52.91	314.59	5.67	-47.24
CC1=[NH+]C=C2CN(S(=O)(=O)C3=C(C(=O)[O-])SC(Cl)=C3)CCN12	REAL300008115367	1	34	0.0	-69.35	319.70	6.32	-63.03
CC1=NC=C2CN(S(=O)(=O)C3=CN=C(C(=O)[O-])C(C)=C3)CCN12	REAL300008115368	0	38	-1.0	-58.22	327.08	4.28	-53.94
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CN=C(C(=O)[O-])C(C)=C3)CCN21	REAL300008115368	1	39	0.0	-72.48	329.21	4.72	-67.76
CC1=NC=C2CN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CCN12	REAL300008115369	0	39	-1.0	-62.61	326.76	6.99	-55.62
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CCN12	REAL300008115369	1	40	0.0	-74.89	328.33	7.29	-67.60
CCOC1=CC=C(S(=O)(=O)N2CCN3C(C)=NC=C3C2)C=C1C(=O)[O-]	REAL300008115370	0	43	-1.0	-59.48	363.57	6.51	-52.97
CCOC1=CC=C(S(=O)(=O)N2CCN3C(C)=[NH+]C=C3C2)C=C1C(=O)[O-]	REAL300008115370	1	44	0.0	-75.49	365.75	6.95	-68.54
CC1=NC=C2CN(S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)CCN12	REAL300008115371	0	43	-1.0	-52.03	357.24	7.36	-44.67
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)CCN12	REAL300008115371	1	44	0.0	-72.27	362.02	7.85	-64.42
CC1=NC=C2CN(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])CCN12	REAL300008115372	0	35	-1.0	-61.23	301.09	4.83	-56.40
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])CCN21	REAL300008115372	1	36	0.0	-71.97	304.52	5.32	-66.65
CC1=NC=C2CN(S(=O)(=O)C3=CC4=CC=C(C(=O)[O-])N=C4C=C3)CCN12	REAL300008115373	0	41	-1.0	-60.38	356.19	5.92	-54.46
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC4=CC=C(C(=O)[O-])N=C4C=C3)CCN21	REAL300008115373	1	42	0.0	-78.93	358.32	6.36	-72.57
COCCOCCOCCC1CCN(S(=O)(=O)CCCC(=O)[O-])CC1	REAL300008115374	0	55	-1.0	-55.50	443.90	4.54	-50.96
COCCOCCOCCC1CCN(S(=O)(=O)CCCC(=O)[O-])CC1	REAL300008115375	0	55	-1.0	-55.50	443.90	4.54	-50.96
COCCOCCOCCC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1	REAL300008115376	0	57	-1.0	-51.22	453.55	3.99	-47.23
COCCOCCOCCC1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1	REAL300008115377	0	56	-1.0	-46.49	431.34	4.62	-41.87
COCCOCCOCCC1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300008115378	0	56	-1.0	-58.01	447.95	5.07	-52.94
COCCOCCOCCC1CCN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300008115379	0	56	-1.0	-57.99	454.54	5.26	-52.73
COCCOCCOCCC1CCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300008115380	0	56	-1.0	-61.45	438.24	5.64	-55.81
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115381	0	37	-1.0	-53.51	315.84	5.24	-48.27
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115382	0	44	-1.0	-51.50	352.56	7.60	-43.90
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300008115383	0	29	-1.0	-49.34	282.27	4.42	-44.92
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115384	0	39	-1.0	-54.80	319.82	5.54	-49.26
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115385	0	35	-1.0	-52.46	302.15	6.15	-46.31
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008115386	0	36	-1.0	-50.11	314.92	5.37	-44.74
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115387	0	38	-1.0	-58.23	334.58	2.53	-55.70
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008115388	0	36	-1.0	-51.80	319.07	4.55	-47.25
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1OC	REAL300008115389	0	43	-1.0	-53.94	340.74	4.39	-49.55
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115390	0	35	-1.0	-49.84	297.52	6.05	-43.79
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115391	0	43	-1.0	-51.82	330.04	5.50	-46.32
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115392	0	38	-1.0	-49.51	308.98	4.02	-45.49
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008115393	0	48	-1.0	-51.22	375.74	8.82	-42.40
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008115394	0	38	-1.0	-54.77	317.73	3.91	-50.86
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300008115395	0	32	-1.0	-50.04	283.07	5.46	-44.58
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008115396	0	32	-1.0	-47.04	294.19	5.40	-41.64
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115397	0	37	-1.0	-49.41	297.13	6.27	-43.14
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008115398	0	38	-1.0	-53.97	335.61	7.04	-46.93
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115399	0	42	-1.0	-62.58	357.55	1.56	-61.02
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115400	0	43	-1.0	-55.36	356.50	6.85	-48.51
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115401	0	35	-1.0	-47.50	301.07	5.50	-42.00
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008115402	0	38	-1.0	-50.68	321.69	5.38	-45.30
COCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115403	0	39	-1.0	-52.78	328.96	4.74	-48.04
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300008115404	0	38	-1.0	-48.24	322.21	2.38	-45.86
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115405	0	41	-1.0	-64.76	358.93	3.22	-61.54
CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115406	0	37	-1.0	-66.35	322.63	1.07	-65.28
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1C	REAL300008115407	0	42	-1.0	-52.62	326.29	5.46	-47.16
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008115408	0	37	-1.0	-53.96	329.07	5.56	-48.40
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008115409	0	35	-1.0	-50.34	320.03	6.22	-44.12
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008115410	0	37	-1.0	-55.69	313.91	5.15	-50.54
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	REAL300008115411	0	42	-1.0	-57.76	347.22	0.69	-57.07
CN(C1CCOCC1)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115412	0	41	-1.0	-50.36	321.90	3.07	-47.29
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008115413	0	41	-1.0	-56.61	341.72	6.30	-50.31
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1C	REAL300008115414	0	41	-1.0	-55.09	331.39	4.92	-50.17
CC(C)N1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300008115415	0	38	-1.0	-48.69	319.16	3.88	-44.81
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115416	0	41	-1.0	-52.03	337.53	5.99	-46.04
CC(C)N1C=NC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115417	0	38	-1.0	-51.57	318.45	5.13	-46.44
CC(C)C1=NC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CN1	REAL300008115418	0	38	-1.0	-50.54	316.80	3.18	-47.36
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115419	0	44	-1.0	-51.96	328.94	7.93	-44.03
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008115420	0	45	-1.0	-55.86	371.59	7.74	-48.12
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115421	0	40	-1.0	-54.40	339.02	4.18	-50.22
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1OC	REAL300008115422	0	40	-1.0	-50.27	338.72	4.57	-45.70
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Br	REAL300008115423	0	35	-1.0	-52.29	312.75	5.95	-46.34
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115424	0	35	-1.0	-49.02	286.23	5.56	-43.46
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008115425	0	38	-1.0	-50.85	322.77	7.56	-43.29
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008115426	0	37	-1.0	-48.64	327.88	7.02	-41.62
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008115427	0	36	-1.0	-50.13	318.71	4.40	-45.73
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008115428	0	39	-1.0	-52.64	335.29	6.50	-46.14
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115429	0	47	-1.0	-54.75	371.24	6.45	-48.30
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008115430	0	35	-1.0	-54.23	308.06	5.94	-48.29
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115431	0	43	-1.0	-56.21	353.52	4.62	-51.59
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116001	0	41	-1.0	-64.74	359.25	3.21	-61.53
CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116002	0	37	-1.0	-62.47	324.01	0.88	-61.59
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1C	REAL300008116003	0	42	-1.0	-50.89	328.47	5.16	-45.73
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008116004	0	37	-1.0	-53.86	329.81	5.54	-48.32
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008116005	0	35	-1.0	-51.61	318.61	6.38	-45.23
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008116006	0	37	-1.0	-50.90	313.49	5.13	-45.77
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	REAL300008116007	0	42	-1.0	-57.64	347.66	0.70	-56.94
CN(C1CCOCC1)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116008	0	41	-1.0	-49.75	321.63	3.09	-46.66
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008116009	0	41	-1.0	-54.11	342.31	6.27	-47.84
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300008116010	0	41	-1.0	-50.67	331.16	4.87	-45.80
CC(C)N1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300008116011	0	38	-1.0	-54.10	318.96	3.89	-50.21
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116012	0	41	-1.0	-57.04	339.39	6.30	-50.74
CC(C)N1C=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116013	0	38	-1.0	-60.70	319.58	5.41	-55.29
CC(C)C1=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN1	REAL300008116014	0	38	-1.0	-71.91	315.28	4.31	-67.60
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116015	0	44	-1.0	-49.94	326.48	7.43	-42.51
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008116016	0	45	-1.0	-54.76	372.75	7.35	-47.41
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116017	0	40	-1.0	-67.29	340.15	4.42	-62.87
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1OC	REAL300008116018	0	40	-1.0	-49.62	340.29	4.27	-45.35
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Br	REAL300008116019	0	35	-1.0	-48.73	313.33	6.24	-42.49
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116020	0	35	-1.0	-47.59	287.79	5.25	-42.34
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008116021	0	38	-1.0	-50.06	324.37	7.20	-42.86
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008116022	0	37	-1.0	-52.68	322.65	6.95	-45.73
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008116023	0	36	-1.0	-52.84	319.60	4.66	-48.18
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008116024	0	39	-1.0	-53.46	335.79	6.45	-47.01
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116025	0	47	-1.0	-48.54	372.08	6.51	-42.03
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008116026	0	35	-1.0	-51.11	308.39	5.94	-45.17
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116027	0	43	-1.0	-56.17	354.26	4.60	-51.57
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300008120001	0	45	-1.0	-57.27	376.95	6.99	-50.28
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300008120002	0	48	-1.0	-62.00	380.78	7.25	-54.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(N2N=C(C)C=C2C)CC1	REAL300008120003	0	49	-1.0	-61.52	399.84	6.83	-54.69
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300008120004	0	48	-1.0	-56.71	392.96	7.53	-49.18
CC1=NN(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)CC2)C(C)=C1	REAL300008120005	0	42	-1.0	-70.62	363.16	6.73	-63.89
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300008120006	0	45	-1.0	-57.27	376.95	6.99	-50.28
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300008120007	0	45	-1.0	-53.28	376.90	7.00	-46.28
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC1	REAL300008120008	0	45	-1.0	-65.50	362.37	7.89	-57.61
CC1=NN(C2CCN(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)CC2)C(C)=C1	REAL300008120009	0	43	-1.0	-55.40	365.50	4.72	-50.68
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CC1	REAL300008120010	0	45	-1.0	-52.93	381.49	5.13	-47.80
CC1=NN(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)CC2)C(C)=C1	REAL300008120011	0	42	-1.0	-57.16	369.65	6.08	-51.08
CC1=NN(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2)C(C)=C1	REAL300008120012	0	42	-1.0	-64.09	354.27	3.92	-60.17
CC1=NN(C2CCN(S(=O)(=O)N3CCCC(C(=O)[O-])C3)CC2)C(C)=C1	REAL300008120013	0	50	-1.0	-56.18	391.12	5.94	-50.24
CC1=NN(C2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)C(C)=C1	REAL300008120014	0	50	-1.0	-59.46	391.60	5.96	-53.50
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC1	REAL300008120015	0	45	-1.0	-65.50	362.37	7.89	-57.61
CC1=NN(C2CCN(S(=O)(=O)C3=CC(Cl)=CC=C3C(=O)[O-])CC2)C(C)=C1	REAL300008120016	0	45	-1.0	-66.96	384.38	8.53	-58.43
CC1=NN(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)C(C)=C1	REAL300008120017	0	42	-1.0	-53.69	361.68	5.37	-48.32
CC1=NN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)CC2)C(C)=C1	REAL300008120018	0	45	-1.0	-60.19	382.01	5.86	-54.33
CC1=CC(C)=NN1C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1	REAL300008120019	0	44	-1.0	-59.65	363.00	5.60	-54.05
CC1=CC(C)=NN1C1CCN(S(=O)(=O)N2CCCC2C(=O)[O-])CC1	REAL300008120020	0	47	-1.0	-66.33	376.58	6.12	-60.21
CC1=CC(C)=NN1C1CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300008120021	0	48	-1.0	-59.42	401.23	7.71	-51.71
CC1=NN(C2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)C(C)=C1	REAL300008120022	0	50	-1.0	-59.46	391.60	5.96	-53.50
CC1=CC(C)=NN1C1CCN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300008120023	0	48	-1.0	-67.82	400.72	7.71	-60.11
CC1=NN(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)C(C)=C1	REAL300008120024	0	42	-1.0	-53.69	361.68	5.37	-48.32
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300008120025	0	49	-1.0	-55.91	408.47	7.24	-48.67
CC1=CC(C)=NN1C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1	REAL300008120026	0	44	-1.0	-59.65	363.00	5.60	-54.05
CC1=NN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C(C)=C1	REAL300008120027	0	42	-1.0	-53.84	370.12	6.02	-47.82
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)CC1	REAL300008120028	0	51	-1.0	-64.12	401.31	7.91	-56.21
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])CC1	REAL300008120029	0	48	-1.0	-70.08	388.63	7.84	-62.24
CC1=NN(C2CCN(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)CC2)C(C)=C1	REAL300008120030	0	42	-1.0	-60.28	369.05	6.00	-54.28
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300008120031	0	48	-1.0	-52.11	378.25	7.20	-44.91
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300008120032	0	48	-1.0	-54.47	399.09	7.78	-46.69
CC1=NN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CC2)C(C)=C1	REAL300008120033	0	42	-1.0	-59.39	362.41	5.07	-54.32
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300008120034	0	48	-1.0	-57.61	399.15	7.76	-49.85
CC1=NN(C2CCN(S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)CC2)C(C)=C1	REAL300008120035	0	45	-1.0	-61.57	369.95	5.74	-55.83
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300008120036	0	44	-1.0	-56.57	372.57	5.16	-51.41
CC1=NN(C2CCN(S(=O)(=O)C3=CSN=C3C(=O)[O-])CC2)C(C)=C1	REAL300008120037	0	41	-1.0	-64.38	352.63	4.89	-59.49
CC1=NN(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])N=CS3)CC2)C(C)=C1	REAL300008120038	0	41	-1.0	-66.52	356.31	4.63	-61.89
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])CC1	REAL300008120039	0	44	-1.0	-68.06	359.56	6.08	-61.98
CC1=CC(C)=NN1C1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1	REAL300008120040	0	50	-1.0	-60.70	406.00	7.16	-53.54
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300008120041	0	44	-1.0	-55.10	372.84	5.21	-49.89
CC1=NN(C2CCN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CC2)C(C)=C1	REAL300008120042	0	45	-1.0	-56.58	394.14	7.46	-49.12
COC1=CC=C(S(=O)(=O)N2CCC(N3N=C(C)C=C3C)CC2)C=C1C(=O)[O-]	REAL300008120043	0	49	-1.0	-62.86	404.24	7.05	-55.81
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)CC1	REAL300008120044	0	48	-1.0	-52.49	392.94	7.54	-44.95
CC1=CC(C)=NN1C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1	REAL300008120045	0	46	-1.0	-51.65	375.11	5.12	-46.53
CC1=NN(C2CCN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CC2)C(C)=C1	REAL300008120046	0	45	-1.0	-56.58	394.14	7.46	-49.12
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC(N2N=C(C)C=C2C)CC1	REAL300008120047	0	45	-1.0	-54.95	370.19	7.09	-47.86
CC1=CC(C)=NN1C1CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300008120048	0	48	-1.0	-59.42	401.23	7.71	-51.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(N2N=C(C)C=C2C)CC1	REAL300008120049	0	49	-1.0	-61.52	399.84	6.83	-54.69
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300008120050	0	48	-1.0	-56.71	392.96	7.53	-49.18
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300008120051	0	48	-1.0	-62.00	380.78	7.25	-54.75
CC1=CC(C)=NN1C1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300008120052	0	48	-1.0	-56.53	388.50	6.83	-49.70
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300008120053	0	48	-1.0	-57.61	399.15	7.76	-49.85
COC1=C(S(=O)(=O)N2CCC(N3N=C(C)C=C3C)CC2)SC(C(=O)[O-])=C1	REAL300008120054	0	46	-1.0	-56.17	397.99	6.15	-50.02
CCC1=C(S(=O)(=O)N2CCC(N3N=C(C)C=C3C)CC2)C=C(C(=O)[O-])O1	REAL300008120055	0	48	-1.0	-57.92	395.40	6.60	-51.32
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)CC1	REAL300008120056	0	47	-1.0	-50.45	388.43	5.71	-44.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(N2N=C(C)C=C2C)CC1	REAL300008120057	0	49	-1.0	-52.98	401.34	6.81	-46.17
COC1=CC(S(=O)(=O)N2CCC(N3N=C(C)C=C3C)CC2)=CC=C1C(=O)[O-]	REAL300008120058	0	49	-1.0	-58.45	404.23	7.06	-51.39
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)CC1	REAL300008120059	0	48	-1.0	-56.41	404.55	7.81	-48.60
CC1=NN(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CC2)C(C)=C1	REAL300008120060	0	45	-1.0	-55.44	367.64	5.37	-50.07
CC1=NN(C2CCN(S(=O)(=O)C3=CC(C)=C(C(=O)[O-])O3)CC2)C(C)=C1	REAL300008120061	0	45	-1.0	-61.33	380.14	5.92	-55.41
CC1=NN(C2CCN(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)CC2)C(C)=C1	REAL300008120062	0	45	-1.0	-55.23	389.47	7.38	-47.85
CC1=NN(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CC2)C(C)=C1	REAL300008120063	0	42	-1.0	-63.99	358.76	5.37	-58.62
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1	REAL300008120064	0	45	-1.0	-51.12	350.86	5.69	-45.43
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC(N3N=C(C)C=C3C)CC2)=C1	REAL300008120065	0	49	-1.0	-71.46	397.04	7.33	-64.13
CC1=NN(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2)C(C)=C1	REAL300008120066	0	42	-1.0	-64.09	354.27	3.92	-60.17
CC1=NN(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CC2)C(C)=C1	REAL300008120067	0	45	-1.0	-55.44	367.64	5.37	-50.07
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300008120068	0	44	-1.0	-55.85	373.92	5.06	-50.79
CC1=CC(C)=NN1C1CCN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CC1	REAL300008120069	0	48	-1.0	-61.45	390.96	8.10	-53.35
CC1=NN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CC2)C(C)=C1	REAL300008120070	0	42	-1.0	-49.74	376.63	5.64	-44.10
COC1=CC=C(S(=O)(=O)N2CCC(N3N=C(C)C=C3C)CC2)C(C(=O)[O-])=C1	REAL300008120071	0	49	-1.0	-65.96	391.77	7.20	-58.76
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300008120072	0	44	-1.0	-59.09	373.03	5.21	-53.88
CC1=NN(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CC2)C(C)=C1	REAL300008120073	0	42	-1.0	-53.99	360.89	3.23	-50.76
CC1=NN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=NN3C)CC2)C(C)=C1	REAL300008120074	0	45	-1.0	-66.31	377.89	4.75	-61.56
CC1=CC(C)=NN1C1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300008120075	0	45	-1.0	-60.99	366.99	6.16	-54.83
CC1=CC(C)=NN1C1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300008120076	0	48	-1.0	-62.96	384.00	6.70	-56.26
CC1=NN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)S3)CC2)C(C)=C1	REAL300008120077	0	45	-1.0	-59.07	388.69	6.68	-52.39
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300008120078	0	48	-1.0	-71.19	390.75	8.49	-62.70
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300008120079	0	45	-1.0	-62.08	373.63	6.34	-55.74
CC1=NN(C2CCN(S(=O)(=O)N3CCCCC3C(=O)[O-])CC2)C(C)=C1	REAL300008120080	0	50	-1.0	-57.44	381.17	6.76	-50.68
CC1=NN(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CC2)C(C)=C1	REAL300008120081	0	42	-1.0	-53.99	360.89	3.23	-50.76
CC1=CC(C)=NN1C1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300008120082	0	47	-1.0	-61.44	377.17	6.10	-55.34
CC1=NN(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2)C(C)=C1	REAL300008120083	0	42	-1.0	-64.09	354.27	3.92	-60.17
CC1=CC(C)=NN1C1CCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	REAL300008120084	0	45	-1.0	-58.41	357.81	6.70	-51.71
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)CC1	REAL300008120085	0	47	-1.0	-55.29	389.36	5.75	-49.54
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1	REAL300008120086	0	48	-1.0	-71.19	390.75	8.49	-62.70
CC1=CC(C)=NN1C1CCN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])CC1	REAL300008120087	0	44	-1.0	-67.34	364.87	6.33	-61.01
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008120088	0	38	-1.0	-50.33	332.31	4.08	-46.25
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008120089	0	38	-1.0	-55.07	332.34	4.07	-51.00
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008120090	0	41	-1.0	-55.60	342.41	4.90	-50.70
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008120091	0	42	-1.0	-58.09	348.69	3.93	-54.16
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008120092	0	41	-1.0	-56.51	347.10	4.59	-51.92
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008120093	0	35	-1.0	-50.35	318.50	3.97	-46.38
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008120094	0	38	-1.0	-55.07	332.34	4.07	-51.00
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008120095	0	38	-1.0	-50.33	332.31	4.08	-46.25
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008120096	0	38	-1.0	-50.93	319.76	4.86	-46.07
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008120097	0	36	-1.0	-52.95	320.95	1.74	-51.21
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008120098	0	38	-1.0	-53.16	337.12	2.20	-50.96
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008120099	0	35	-1.0	-48.37	324.28	3.21	-45.16
CCN1N=CC=C1C(C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008120100	0	35	-1.0	-53.21	303.26	1.01	-52.20
CCN1N=CC=C1C(C)NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008120101	0	43	-1.0	-51.53	341.60	2.98	-48.55
CCN1N=CC=C1C(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008120102	0	43	-1.0	-52.51	348.74	3.18	-49.33
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008120103	0	38	-1.0	-50.93	319.76	4.86	-46.07
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008120104	0	38	-1.0	-44.85	338.88	5.43	-39.42
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008120105	0	35	-1.0	-49.40	318.19	2.52	-46.88
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008120106	0	38	-1.0	-50.63	336.41	2.96	-47.67
CCN1N=CC=C1C(C)NS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008120107	0	40	-1.0	-46.23	324.31	2.80	-43.43
CCN1N=CC=C1C(C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008120108	0	41	-1.0	-61.35	355.34	4.78	-56.57
CCN1N=CC=C1C(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008120109	0	43	-1.0	-52.51	348.74	3.18	-49.33
CCN1N=CC=C1C(C)NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008120110	0	41	-1.0	-59.21	349.22	4.67	-54.54
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008120111	0	35	-1.0	-49.40	318.19	2.52	-46.88
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008120112	0	42	-1.0	-50.61	363.40	4.36	-46.25
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300008120113	0	42	-1.0	-47.03	363.14	4.88	-42.15
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008120114	0	35	-1.0	-51.09	325.33	3.13	-47.96
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008120115	0	44	-1.0	-56.29	355.90	5.29	-51.00
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008120116	0	41	-1.0	-54.74	351.26	5.19	-49.55
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008120117	0	45	-1.0	-55.84	387.42	3.80	-52.04
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008120118	0	35	-1.0	-50.96	321.37	3.03	-47.93
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008120119	0	41	-1.0	-43.23	360.84	5.91	-37.32
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008120120	0	41	-1.0	-50.48	344.65	4.84	-45.64
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008120121	0	41	-1.0	-54.43	361.73	6.54	-47.89
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008120122	0	41	-1.0	-50.66	354.50	4.86	-45.80
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300008120123	0	43	-1.0	-44.27	370.40	5.09	-39.18
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008120124	0	35	-1.0	-52.09	317.60	2.23	-49.86
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008120125	0	41	-1.0	-53.94	354.50	4.85	-49.09
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008120126	0	38	-1.0	-53.66	337.70	3.23	-50.43
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008120127	0	37	-1.0	-50.52	321.16	2.13	-48.39
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008120128	0	34	-1.0	-51.85	311.31	2.37	-49.48
CCN1N=CC=C1C(C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008120128	1	33	-2.0	-107.37	296.08	2.44	-104.93
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008120129	0	34	-1.0	-60.43	311.79	1.78	-58.65
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008120130	0	37	-1.0	-54.65	319.09	3.12	-51.53
CCN1N=CC=C1C(C)NS(=O)(=O)CCCCCC(=O)[O-]	REAL300008120131	0	43	-1.0	-56.60	360.58	4.25	-52.35
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008120132	0	37	-1.0	-52.93	327.74	2.25	-50.68
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008120133	0	38	-1.0	-49.32	349.06	4.58	-44.74
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008120134	0	42	-1.0	-56.85	359.06	4.13	-52.72
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008120135	0	41	-1.0	-49.46	348.34	4.62	-44.84
CCN1N=CC=C1C(C)NS(=O)(=O)N(C)CCC(=O)[O-]	REAL300008120136	0	39	-1.0	-50.16	327.72	2.27	-47.89
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008120137	0	43	-1.0	-57.33	360.57	4.41	-52.92
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008120138	0	45	-1.0	-55.84	387.42	3.80	-52.04
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008120139	0	38	-1.0	-49.32	349.06	4.58	-44.74
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008120140	0	38	-1.0	-51.30	332.50	4.75	-46.55
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008120141	0	41	-1.0	-50.37	356.51	5.32	-45.05
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008120142	0	44	-1.0	-53.23	379.26	5.41	-47.82
CCN1N=CC=C1C(C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008120143	0	41	-1.0	-61.35	355.34	4.78	-56.57
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008120144	0	42	-1.0	-58.09	348.69	3.93	-54.16
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008120145	0	41	-1.0	-56.51	347.10	4.59	-51.92
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008120146	0	41	-1.0	-55.60	342.41	4.90	-50.70
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300008120147	0	42	-1.0	-46.06	358.47	3.91	-42.15
CCN1N=CC=C1C(C)NS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008120148	0	41	-1.0	-51.70	335.48	3.84	-47.86
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008120149	0	41	-1.0	-53.94	354.50	4.85	-49.09
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300008120150	0	39	-1.0	-50.35	351.27	2.44	-47.91
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008120151	0	43	-1.0	-51.63	368.65	4.74	-46.89
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008120152	0	41	-1.0	-49.31	362.45	4.90	-44.41
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008120153	0	45	-1.0	-55.38	378.46	5.96	-49.42
CCC1=C(S(=O)(=O)NC(C)C2=CC=NN2CC)C=C(C(=O)[O-])O1	REAL300008120154	0	41	-1.0	-52.66	357.18	4.00	-48.66
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008120155	0	40	-1.0	-45.46	347.94	5.53	-39.93
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008120156	0	41	-1.0	-54.26	370.20	5.56	-48.70
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008120157	0	40	-1.0	-40.24	350.93	5.59	-34.65
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008120158	0	40	-1.0	-46.18	343.78	2.79	-43.39
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008120159	0	42	-1.0	-50.10	346.54	3.89	-46.21
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008120160	0	42	-1.0	-57.45	353.19	4.02	-53.43
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300008120161	0	45	-1.0	-59.42	365.79	4.42	-55.00
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008120162	0	41	-1.0	-52.21	359.37	4.89	-47.32
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008120163	0	41	-1.0	-48.06	371.41	5.07	-42.99
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008120164	0	47	-1.0	-52.55	387.24	5.76	-46.79
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008120165	0	38	-1.0	-48.75	322.81	2.29	-46.46
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008120166	0	44	-1.0	-52.36	370.03	6.31	-46.05
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008120167	0	38	-1.0	-50.17	336.14	3.10	-47.07
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008120168	0	38	-1.0	-54.90	338.45	4.34	-50.56
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008120169	0	35	-1.0	-55.08	304.36	2.84	-52.24
CCN1N=CC=C1C(C)NS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008120170	0	38	-1.0	-44.04	310.17	3.04	-41.00
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300008120171	0	42	-1.0	-49.16	351.53	4.24	-44.92
CCN1N=CC=C1C(C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008120172	0	35	-1.0	-53.21	303.26	1.01	-52.20
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008120173	0	38	-1.0	-48.75	322.81	2.29	-46.46
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008120174	0	40	-2.0	-135.41	358.43	4.98	-130.43
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300008120175	0	45	-1.0	-53.75	380.08	4.26	-49.49
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008120176	0	37	-1.0	-47.11	327.56	2.18	-44.93
CCN1N=CC=C1C(C)NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008120177	0	41	-1.0	-58.12	345.30	5.22	-52.90
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008120178	0	35	-1.0	-47.01	332.80	2.78	-44.23
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008120179	0	44	-1.0	-51.71	368.72	6.28	-45.43
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=NN1CC	REAL300008120180	0	45	-1.0	-52.80	385.67	4.87	-47.93
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300008120181	0	42	-1.0	-51.62	349.17	4.17	-47.45
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008120182	0	37	-1.0	-54.13	327.99	2.30	-51.83
CCN1N=CC=C1C(C)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008120183	0	35	-1.0	-44.86	316.48	0.35	-44.51
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008120184	0	38	-1.0	-54.71	333.94	1.79	-52.92
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008120185	0	44	-1.0	-54.56	375.57	6.23	-48.33
CCN1N=CC=C1C(C)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008120186	0	38	-1.0	-54.74	321.33	3.21	-51.53
CCN1N=CC=C1C(C)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008120187	0	41	-1.0	-55.45	332.46	3.65	-51.80
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008120188	0	38	-1.0	-52.87	342.14	3.77	-49.10
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008120189	0	44	-1.0	-53.56	368.16	7.22	-46.34
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008120190	0	41	-1.0	-46.64	350.85	5.51	-41.13
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008120191	0	41	-1.0	-58.68	336.49	5.09	-53.59
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008120192	0	38	-1.0	-50.61	361.78	4.68	-45.93
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008120193	0	41	-1.0	-71.24	357.46	2.68	-68.56
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008120194	0	41	-1.0	-45.90	359.00	5.20	-40.70
CCN1N=CC=C1C(C)NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008120195	0	38	-1.0	-53.90	328.77	3.42	-50.48
CCN1N=CC=C1C(C)NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008120196	0	43	-1.0	-51.75	337.71	4.27	-47.48
CCN1N=CC=C1C(C)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008120197	0	35	-1.0	-44.86	316.48	0.35	-44.51
CCN1N=CC=C1C(C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008120198	0	40	-1.0	-47.62	320.00	2.56	-45.06
CCN1N=CC=C1C(C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008120199	0	35	-1.0	-53.21	303.26	1.01	-52.20
CCN1N=CC=C1C(C)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008120200	0	35	-1.0	-42.61	333.86	4.51	-38.10
CCN1N=CC=C1C(C)NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008120201	0	38	-1.0	-56.23	311.76	3.82	-52.41
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008120202	0	40	-1.0	-53.03	344.91	2.83	-50.20
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008120203	0	41	-1.0	-58.68	336.49	5.09	-53.59
CCOC1=CC=C(S(=O)(=O)NC(C)C2=CC=NN2CC)C=C1C(=O)[O-]	REAL300008120204	0	45	-1.0	-59.00	375.06	4.92	-54.08
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008120205	0	45	-1.0	-53.96	377.78	5.96	-48.00
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008120206	0	37	-1.0	-45.48	317.89	3.11	-42.37
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008120207	0	43	-1.0	-59.26	373.47	4.44	-54.82
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120208	0	44	-1.0	-48.76	382.69	6.10	-42.66
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120209	0	44	-1.0	-55.07	380.68	6.02	-49.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=NC2=C(CC(C)CC2)S1	REAL300008120210	0	47	-1.0	-52.53	398.61	7.05	-45.48
CC1=CC=C(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)C=C1C(=O)[O-]	REAL300008120211	0	47	-1.0	-52.56	400.75	6.66	-45.90
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120212	0	41	-1.0	-51.69	367.15	5.91	-45.78
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120213	0	44	-1.0	-55.07	380.68	6.02	-49.05
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120214	0	44	-1.0	-48.76	382.69	6.10	-42.66
CC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120215	0	44	-1.0	-55.57	373.20	7.01	-48.56
CC(NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120216	0	42	-1.0	-52.75	371.97	3.83	-48.92
CC(NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120217	0	44	-1.0	-50.36	388.00	4.24	-46.12
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=NC2=C(CC(C)CC2)S1	REAL300008120218	0	41	-1.0	-46.69	375.39	5.24	-41.45
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120219	0	41	-1.0	-54.70	357.66	3.10	-51.60
CC(NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120220	0	49	-1.0	-50.08	400.65	5.21	-44.87
CC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=NC2=C(CC(C)CC2)S1	REAL300008120221	0	49	-1.0	-47.91	399.55	5.21	-42.70
CC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120222	0	44	-1.0	-55.57	373.20	7.01	-48.56
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NC2=C(CC(C)CC2)S1	REAL300008120223	0	41	-1.0	-48.05	366.45	4.47	-43.58
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)O1	REAL300008120224	0	44	-1.0	-50.08	384.65	4.92	-45.16
CC(NS(=O)(=O)CCCC(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120225	0	43	-1.0	-51.64	368.22	4.75	-46.89
CC(NS(=O)(=O)N1CCCC1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120226	0	46	-1.0	-49.69	372.76	4.74	-44.95
CC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120227	0	47	-1.0	-58.81	403.68	6.75	-52.06
CC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=NC2=C(CC(C)CC2)S1	REAL300008120228	0	49	-1.0	-47.91	399.55	5.21	-42.70
CC(NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120229	0	47	-1.0	-59.75	403.70	6.74	-53.01
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NC2=C(CC(C)CC2)S1	REAL300008120230	0	41	-1.0	-48.05	366.45	4.47	-43.58
CC(NS(=O)(=O)CCCC(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120231	0	43	-1.0	-51.64	368.22	4.75	-46.89
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=NC2=C(CC(C)CC2)S1	REAL300008120232	0	41	-1.0	-50.51	376.53	5.15	-45.36
CC1=CC=CC(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)=C1C(=O)[O-]	REAL300008120233	0	47	-1.0	-59.21	401.33	7.22	-51.99
CC(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120234	0	41	-1.0	-49.80	372.37	5.05	-44.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C)C1=NC2=C(CC(C)CC2)S1	REAL300008120235	0	47	-1.0	-50.93	393.28	6.87	-44.06
CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120236	0	47	-1.0	-48.96	404.89	6.88	-42.08
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NC2=C(CC(C)CC2)S1	REAL300008120237	0	41	-1.0	-49.61	366.67	4.20	-45.41
CC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120238	0	47	-1.0	-53.14	402.87	6.79	-46.35
CC1=C(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)C=C(C(=O)[O-])O1	REAL300008120239	0	44	-1.0	-50.59	388.80	5.24	-45.35
CC(NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120240	0	43	-1.0	-48.35	375.87	4.19	-44.16
CC(NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120241	0	40	-1.0	-55.83	361.61	4.41	-51.42
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120241	1	39	-2.0	-126.80	356.23	4.11	-122.69
CC(NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=NC2=C(CC(C)CC2)S1	REAL300008120242	0	40	-1.0	-61.36	359.27	3.68	-57.68
CC(NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120243	0	43	-1.0	-58.10	367.62	5.12	-52.98
CC(NS(=O)(=O)CCCCCC(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120244	0	49	-1.0	-53.13	411.22	6.31	-46.82
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120245	0	43	-1.0	-50.40	376.56	4.20	-46.20
CC1=CC(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)=CC=C1C(=O)[O-]	REAL300008120246	0	47	-1.0	-48.15	396.71	6.56	-41.59
CC(NS(=O)(=O)N(C)CCC(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120247	0	45	-1.0	-50.11	380.92	4.27	-45.84
CC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120248	0	47	-1.0	-58.81	403.68	6.75	-52.06
CC1=CC=C(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)C=C1C(=O)[O-]	REAL300008120249	0	47	-1.0	-52.56	400.75	6.66	-45.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=NC2=C(CC(C)CC2)S1	REAL300008120250	0	47	-1.0	-52.53	398.61	7.05	-45.48
CC(NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1=NC2=C(CC(C)CC2)S1	REAL300008120251	0	47	-1.0	-50.52	390.72	5.95	-44.57
CC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120252	0	47	-1.0	-53.14	402.87	6.79	-46.35
CCC1=C(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)C=C(C(=O)[O-])O1	REAL300008120253	0	47	-1.0	-50.19	408.32	6.04	-44.15
CC1=NC=C(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)C=C1C(=O)[O-]	REAL300008120254	0	46	-1.0	-44.99	392.14	4.74	-40.25
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=NC2=C(CC(C)CC2)S1	REAL300008120255	0	44	-1.0	-48.17	374.05	4.42	-43.75
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)=C1	REAL300008120256	0	44	-1.0	-48.78	386.62	5.10	-43.68
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NC2=C(CC(C)CC2)S1	REAL300008120257	0	41	-1.0	-55.98	358.92	4.95	-51.03
CC(NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=NC2=C(CC(C)CC2)S1	REAL300008120258	0	44	-1.0	-47.69	364.92	5.24	-42.45
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120259	0	41	-1.0	-54.70	357.66	3.10	-51.60
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=NC2=C(CC(C)CC2)S1	REAL300008120260	0	44	-1.0	-48.17	374.05	4.42	-43.75
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=NC2=C(CC(C)CC2)S1	REAL300008120261	0	43	-1.0	-46.81	376.91	4.11	-42.70
CC(NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120262	0	47	-1.0	-59.31	395.96	7.27	-52.04
CC(NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120263	0	43	-1.0	-53.15	376.75	4.26	-48.89
CC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120264	0	41	-1.0	-43.38	364.24	2.25	-41.13
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=NC2=C(CC(C)CC2)S1	REAL300008120265	0	44	-1.0	-53.13	385.00	3.87	-49.26
CC(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120266	0	44	-1.0	-54.87	369.48	5.15	-49.72
CC(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120267	0	47	-1.0	-54.27	389.15	5.80	-48.47
CC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120268	0	47	-1.0	-59.67	396.45	7.31	-52.36
CC(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120269	0	44	-1.0	-54.62	377.34	5.39	-49.23
CC(NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120270	0	49	-1.0	-53.25	385.87	6.15	-47.10
CC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NC2=C(CC(C)CC2)S1	REAL300008120271	0	41	-1.0	-43.38	364.24	2.25	-41.13
CC(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120272	0	46	-1.0	-49.72	372.78	4.74	-44.98
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120273	0	41	-1.0	-54.70	357.66	3.10	-51.60
CC(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120274	0	44	-1.0	-58.63	364.22	5.97	-52.66
CC1=CC(S(=O)(=O)NC(C)C2=NC3=C(CC(C)CC3)S2)=CN=C1C(=O)[O-]	REAL300008120275	0	46	-1.0	-51.75	393.32	4.77	-46.98
CC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120276	0	47	-1.0	-59.67	396.45	7.31	-52.36
CC(NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120277	0	43	-1.0	-49.10	368.54	5.22	-43.88
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008120278	0	41	-1.0	-50.09	367.74	8.84	-41.25
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008120279	0	41	-1.0	-53.92	364.72	8.64	-45.28
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008120280	0	38	-1.0	-64.40	350.90	8.47	-55.93
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008120281	0	41	-1.0	-53.92	364.72	8.64	-45.28
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008120282	0	41	-1.0	-50.09	367.74	8.84	-41.25
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008120283	0	41	-1.0	-66.96	363.68	9.79	-57.17
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008120284	0	39	-1.0	-56.51	354.32	6.23	-50.28
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008120285	0	41	-1.0	-49.86	372.95	6.94	-42.92
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008120286	0	38	-1.0	-49.37	359.90	7.95	-41.42
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008120287	0	38	-1.0	-51.56	342.26	5.83	-45.73
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008120288	0	46	-1.0	-50.93	379.63	7.45	-43.48
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008120289	0	46	-1.0	-46.28	382.42	7.82	-38.46
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008120290	0	41	-1.0	-66.96	363.68	9.79	-57.17
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008120291	0	38	-1.0	-56.16	354.86	7.14	-49.02
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008120292	0	41	-1.0	-53.24	373.08	7.62	-45.62
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300008120293	0	40	-1.0	-53.00	354.95	7.34	-45.66
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008120294	0	43	-1.0	-62.12	369.62	7.70	-54.42
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008120295	0	46	-1.0	-46.28	382.42	7.82	-38.46
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008120296	0	38	-1.0	-56.16	354.86	7.14	-49.02
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300008120297	0	40	-1.0	-53.00	354.95	7.34	-45.66
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008120298	0	38	-1.0	-50.25	360.97	7.87	-42.38
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008120299	0	38	-1.0	-57.23	356.75	7.52	-49.71
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008120300	0	38	-1.0	-50.36	349.26	6.73	-43.63
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008120301	0	41	-1.0	-54.25	362.38	7.66	-46.59
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008120302	0	40	-1.0	-47.97	359.83	6.85	-41.12
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008120303	0	37	-1.0	-68.92	345.83	6.87	-62.05
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008120304	0	37	-1.0	-66.94	350.48	6.62	-60.32
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008120305	0	40	-1.0	-73.06	356.31	7.97	-65.09
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008120306	0	46	-1.0	-53.44	397.95	8.91	-44.53
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008120307	0	40	-1.0	-52.15	360.03	6.83	-45.32
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)N(C)CCC(=O)[O-]	REAL300008120308	0	42	-1.0	-46.83	357.82	6.62	-40.21
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008120309	0	44	-1.0	-48.66	377.93	8.78	-39.88
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008120310	0	41	-1.0	-51.06	350.84	6.76	-44.30
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008120311	0	41	-1.0	-57.14	372.83	7.74	-49.40
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008120312	0	38	-1.0	-53.04	343.58	7.47	-45.57
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008120313	0	41	-1.0	-44.01	342.60	7.81	-36.20
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008120314	0	38	-1.0	-51.56	342.26	5.83	-45.73
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008120315	0	41	-1.0	-51.06	350.84	6.76	-44.30
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008120316	0	40	-1.0	-50.04	365.12	7.35	-42.69
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008120317	0	40	-1.0	-57.66	364.73	6.99	-50.67
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008120318	0	38	-1.0	-44.97	347.70	4.88	-40.09
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008120319	0	41	-1.0	-59.07	376.57	6.54	-52.53
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008120320	0	41	-1.0	-54.79	353.88	7.78	-47.01
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008120321	0	44	-1.0	-55.43	373.16	8.33	-47.10
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008120322	0	41	-1.0	-55.16	365.61	8.04	-47.12
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008120323	0	46	-1.0	-62.74	383.27	8.80	-53.94
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008120324	0	38	-1.0	-44.97	347.70	4.88	-40.09
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008120325	0	43	-1.0	-62.29	366.69	7.70	-54.59
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008120326	0	38	-1.0	-51.56	342.26	5.83	-45.73
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008120327	0	41	-1.0	-57.45	349.34	8.43	-49.02
CCN(CC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008120328	0	40	-1.0	-60.14	356.26	7.82	-52.32
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120329	0	39	-1.0	-61.67	317.15	5.07	-56.60
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120330	0	46	-1.0	-54.47	350.96	7.15	-47.32
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)S1	REAL300008120331	0	31	-1.0	-52.28	282.78	4.24	-48.04
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120332	0	41	-1.0	-58.92	315.36	4.46	-54.46
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120333	0	37	-1.0	-54.72	320.73	5.64	-49.08
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008120334	0	38	-1.0	-41.55	318.82	5.09	-36.46
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008120335	0	40	-1.0	-59.74	334.89	2.08	-57.66
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008120336	0	38	-1.0	-51.14	318.26	4.37	-46.77
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300008120337	0	45	-1.0	-42.65	347.97	4.10	-38.55
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120338	0	37	-1.0	-37.94	306.03	5.41	-32.53
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCC1	REAL300008120339	0	45	-1.0	-38.98	324.28	4.84	-34.14
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120340	0	40	-1.0	-52.52	310.47	3.37	-49.15
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008120341	0	50	-1.0	-53.49	386.34	7.97	-45.52
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008120342	0	40	-1.0	-55.18	318.72	3.71	-51.47
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300008120343	0	34	-1.0	-40.38	291.06	5.08	-35.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008120344	0	34	-1.0	-52.63	295.51	5.18	-47.45
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120345	0	39	-1.0	-60.44	305.60	6.45	-53.99
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008120346	0	40	-1.0	-55.63	336.13	6.71	-48.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008120347	0	44	-1.0	-66.68	365.45	0.86	-65.82
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120348	0	45	-1.0	-55.26	367.09	6.00	-49.26
CC1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120349	0	37	-1.0	-52.48	301.96	5.25	-47.23
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008120350	0	40	-1.0	-54.96	317.55	4.99	-49.97
COCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120351	0	41	-1.0	-54.95	339.57	3.89	-51.06
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N1	REAL300008120352	0	40	-1.0	-52.40	323.53	2.07	-50.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008120353	0	43	-1.0	-68.47	359.23	2.75	-65.72
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300008120354	0	39	-1.0	-71.48	323.53	0.73	-70.75
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1C	REAL300008120355	0	44	-1.0	-42.22	334.14	4.79	-37.43
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008120356	0	39	-1.0	-56.95	329.73	4.68	-52.27
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008120357	0	37	-1.0	-56.07	317.17	6.10	-49.97
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008120358	0	39	-1.0	-56.60	315.17	4.94	-51.66
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCOCC1	REAL300008120359	0	43	-1.0	-42.80	306.99	2.32	-40.48
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300008120360	0	43	-1.0	-48.25	346.35	5.44	-42.81
CCN1N=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1C	REAL300008120361	0	43	-1.0	-54.37	340.12	3.92	-50.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)N=C1	REAL300008120362	0	40	-1.0	-54.22	329.34	3.20	-51.02
CC(C)CN1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120363	0	43	-1.0	-58.70	337.82	6.02	-52.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)C=N1	REAL300008120364	0	40	-1.0	-62.01	320.19	5.07	-56.94
CC(C)C1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN1	REAL300008120365	0	40	-1.0	-59.56	322.06	3.62	-55.94
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008120366	0	46	-1.0	-57.54	331.15	6.89	-50.65
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008120367	0	42	-1.0	-62.63	340.07	3.97	-58.66
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300008120368	0	42	-1.0	-54.45	336.11	4.02	-50.43
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Br	REAL300008120369	0	37	-1.0	-52.85	313.71	5.74	-47.11
CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120370	0	37	-1.0	-52.30	301.64	5.02	-47.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008120371	0	40	-1.0	-41.34	329.77	7.07	-34.27
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008120372	0	39	-1.0	-48.80	335.83	6.21	-42.59
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008120373	0	38	-1.0	-54.13	317.75	4.22	-49.91
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008120374	0	41	-1.0	-55.17	330.49	6.21	-48.96
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120375	0	49	-1.0	-52.88	363.33	5.22	-47.66
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008120376	0	37	-1.0	-53.78	318.65	5.09	-48.69
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120377	0	45	-1.0	-44.15	357.86	4.39	-39.76
CC1(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])COCCO1	REAL300008132001	0	34	-1.0	-53.39	290.01	-1.03	-54.42
CC1(CNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)COCCO1	REAL300008132002	0	34	-1.0	-44.62	314.41	2.38	-42.24
CC1=CC(S(=O)(=O)NCC2(C)COCCO2)=CN=C1C(=O)[O-]	REAL300008132003	0	39	-1.0	-52.91	326.64	0.75	-52.16
CC1(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])COCCO1	REAL300008132004	0	40	-1.0	-58.47	326.98	3.18	-55.29
CCOC1=CC=C(S(=O)(=O)NCC2(C)COCCO2)C=C1C(=O)[O-]	REAL300008132005	0	44	-1.0	-58.61	363.04	2.91	-55.70
CC1(CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)COCCO1	REAL300008132006	0	44	-1.0	-51.43	359.71	3.88	-47.55
CC1(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])COCCO1	REAL300008132007	0	36	-1.0	-47.29	299.16	1.05	-46.24
CC1(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)COCCO1	REAL300008132008	0	42	-1.0	-57.05	356.01	2.37	-54.68
COCC(C)(CNS(=O)(=O)CCCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300008132009	0	58	0.0	-76.46	429.97	3.82	-72.64
COCC(C)(CNS(=O)(=O)CCCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300008132010	0	58	0.0	-76.46	429.97	3.82	-72.64
COCC(C)(CNS(=O)(=O)N(C)CCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300008132011	0	60	0.0	-67.38	443.39	3.42	-63.96
COCC(C)(CNS(=O)(=O)C1(C(=O)[O-])CCC1)N1CC[NH+](C(C)C)CC1	REAL300008132012	0	59	0.0	-54.97	425.38	4.20	-50.77
COCC(C)(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)N1CC[NH+](C(C)C)CC1	REAL300008132013	0	59	0.0	-76.50	433.84	4.34	-72.16
COCC(C)(CNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300008132014	0	59	0.0	-78.19	439.92	3.51	-74.68
COCC(C)(CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300008132015	0	59	0.0	-85.97	421.45	3.82	-82.15
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C1	REAL300008132016	0	42	-1.0	-54.86	374.50	7.07	-47.79
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132017	0	42	-1.0	-57.46	374.52	7.06	-50.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132018	0	45	-1.0	-62.43	389.14	7.97	-54.46
CC1=CC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300008132019	0	45	-1.0	-56.84	390.55	7.60	-49.24
O=C([O-])C1=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=CS1	REAL300008132020	0	39	-1.0	-51.20	357.68	6.83	-44.37
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132021	0	42	-1.0	-57.46	374.52	7.06	-50.40
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C1	REAL300008132022	0	42	-1.0	-54.86	374.50	7.07	-47.79
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O=C([O-])C1=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=CN1	REAL300008132024	0	40	-1.0	-57.42	363.03	4.79	-52.63
O=C([O-])CN1C=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=N1	REAL300008132025	0	42	-1.0	-54.43	379.07	5.18	-49.25
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)S1	REAL300008132026	0	39	-1.0	-55.23	366.78	6.19	-49.04
O=C([O-])C1=CNN=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132027	0	39	-1.0	-56.12	350.62	4.10	-52.02
O=C([O-])C1CCCN(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300008132028	0	47	-1.0	-52.54	389.93	6.08	-46.46
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O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132030	0	42	-1.0	-52.37	363.70	7.93	-44.44
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)O1	REAL300008132031	0	39	-1.0	-57.17	359.27	5.43	-51.74
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)O1	REAL300008132032	0	42	-1.0	-56.51	377.50	5.89	-50.62
O=C([O-])CCCS(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132033	0	41	-1.0	-58.76	360.53	5.69	-53.07
O=C([O-])C1CCCN1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132034	0	44	-1.0	-62.47	374.31	6.21	-56.26
O=C([O-])C1=CC=C(CS(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C1	REAL300008132035	0	45	-1.0	-64.88	398.30	7.79	-57.09
O=C([O-])C1CCN(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300008132036	0	47	-1.0	-58.07	391.55	6.20	-51.87
O=C([O-])C1=CC=CC(CS(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132037	0	45	-1.0	-67.64	398.30	7.78	-59.86
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)O1	REAL300008132038	0	39	-1.0	-57.17	359.27	5.43	-51.74
O=C([O-])CCCS(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132039	0	41	-1.0	-58.76	360.53	5.69	-53.07
O=C([O-])C1=CSC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132040	0	39	-1.0	-56.23	367.69	6.09	-50.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1C	REAL300008132041	0	48	-1.0	-63.72	406.10	8.50	-55.22
CC1=CC=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1C(=O)[O-]	REAL300008132042	0	45	-1.0	-56.46	391.43	8.10	-48.36
O=C([O-])C1=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=CS1	REAL300008132043	0	39	-1.0	-57.72	366.16	6.09	-51.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132044	0	45	-1.0	-55.87	383.69	7.80	-48.07
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C1	REAL300008132045	0	45	-1.0	-55.26	396.68	7.85	-47.41
O=C([O-])C1=COC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132046	0	39	-1.0	-54.74	359.51	5.17	-49.57
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132047	0	45	-1.0	-57.21	396.69	7.84	-49.37
CC1=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300008132048	0	42	-1.0	-60.49	379.26	6.15	-54.34
O=C([O-])C1=CN=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132049	0	41	-1.0	-52.10	369.68	5.26	-46.84
O=C([O-])C1=NSC=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132050	0	38	-1.0	-55.33	352.03	5.31	-50.02
O=C([O-])C1=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)SC=N1	REAL300008132051	0	38	-1.0	-58.88	356.08	4.78	-54.10
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132052	0	41	-1.0	-55.82	360.71	6.14	-49.68
O=C([O-])CCCCCS(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132053	0	47	-1.0	-59.84	403.53	7.25	-52.59
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=N1	REAL300008132054	0	41	-1.0	-57.16	370.37	5.27	-51.89
CC1=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=CC=C1C(=O)[O-]	REAL300008132055	0	45	-1.0	-54.28	390.52	7.61	-46.67
CN(CCC(=O)[O-])S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132056	0	43	-1.0	-54.14	373.67	5.28	-48.86
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132057	0	42	-1.0	-53.75	374.62	7.56	-46.19
O=C([O-])C1=CC=C(CS(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C1	REAL300008132058	0	45	-1.0	-64.88	398.30	7.79	-57.09
CC1=CC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300008132059	0	45	-1.0	-56.84	390.55	7.60	-49.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132060	0	45	-1.0	-62.43	389.14	7.97	-54.46
O=C([O-])CC1(CS(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300008132061	0	45	-1.0	-52.14	385.08	6.93	-45.21
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132062	0	45	-1.0	-57.21	396.69	7.84	-49.37
CCC1=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C(C(=O)[O-])O1	REAL300008132063	0	45	-1.0	-60.05	398.86	6.97	-53.08
CC1=NC=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300008132064	0	44	-1.0	-53.19	385.95	5.78	-47.41
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132065	0	42	-1.0	-56.27	366.49	5.40	-50.87
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132066	0	42	-1.0	-57.12	377.23	6.03	-51.09
O=C([O-])C1=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)OC=C1	REAL300008132067	0	39	-1.0	-57.18	351.72	5.92	-51.26
O=C([O-])C1(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)CCC1	REAL300008132068	0	42	-1.0	-46.55	359.32	6.28	-40.27
O=C([O-])C1=CNN=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132069	0	39	-1.0	-56.12	350.62	4.10	-52.02
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132070	0	42	-1.0	-56.27	366.49	5.40	-50.87
O=C([O-])C1=CC=NC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132071	0	41	-1.0	-56.18	367.96	5.39	-50.79
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132072	0	45	-1.0	-60.81	387.97	8.20	-52.61
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132073	0	39	-1.0	-51.79	374.17	5.71	-46.08
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O=C([O-])C1=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=CC=N1	REAL300008132074	0	41	-1.0	-59.62	370.57	5.27	-54.35
O=C([O-])C1=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=NN1	REAL300008132075	0	39	-1.0	-51.16	357.99	3.32	-47.84
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132076	0	42	-1.0	-62.78	376.02	4.81	-57.97
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300008132077	0	42	-1.0	-59.24	364.64	6.20	-53.04
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300008132078	0	45	-1.0	-61.31	381.55	6.78	-54.53
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)S1	REAL300008132079	0	42	-1.0	-56.15	385.80	6.79	-49.36
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132080	0	45	-1.0	-61.25	386.93	8.23	-53.02
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132081	0	42	-1.0	-61.56	371.16	6.39	-55.17
O=C([O-])C1CCCCN1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132082	0	47	-1.0	-53.22	381.52	7.10	-46.12
O=C([O-])C1=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=NN1	REAL300008132083	0	39	-1.0	-51.16	357.99	3.32	-47.84
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132084	0	44	-1.0	-48.62	374.10	5.88	-42.74
O=C([O-])C1=CNN=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132085	0	39	-1.0	-56.12	350.62	4.10	-52.02
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132086	0	42	-1.0	-63.85	354.81	6.79	-57.06
CC1=CC(S(=O)(=O)NCCC2=CC=C(N3C=CC=N3)C=C2)=CN=C1C(=O)[O-]	REAL300008132087	0	44	-1.0	-56.85	387.19	5.82	-51.03
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132088	0	45	-1.0	-61.25	386.93	8.23	-53.02
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCCC1=CC=C(N2C=CC=N2)C=C1	REAL300008132089	0	41	-1.0	-47.43	359.33	6.13	-41.30
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300008132090	0	38	-1.0	-49.22	350.14	6.94	-42.28
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300008132091	0	38	-1.0	-54.29	350.19	6.93	-47.36
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300008132092	0	38	-1.0	-54.29	350.19	6.93	-47.36
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300008132093	0	38	-1.0	-49.22	350.14	6.94	-42.28
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300008132094	0	38	-1.0	-50.07	340.72	7.85	-42.22
CC1=CC([C@H](C)NS(=O)(=O)C2=CNC(C(=O)[O-])=C2)=CC=C1Br	REAL300008132095	0	36	-1.0	-52.04	339.46	4.66	-47.38
CC1=CC([C@H](C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])=CC=C1Br	REAL300008132096	0	35	-1.0	-51.77	327.51	4.01	-47.76
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300008132097	0	38	-1.0	-50.07	340.72	7.85	-42.22
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)=CC=C1Br	REAL300008132098	0	35	-1.0	-48.74	336.16	5.36	-43.38
CC1=CC([C@H](C)NS(=O)(=O)CCCC(=O)[O-])=CC=C1Br	REAL300008132099	0	37	-1.0	-51.29	335.73	5.59	-45.70
CC1=CC([C@H](C)NS(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Br	REAL300008132100	0	40	-1.0	-55.49	348.53	6.03	-49.46
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)=CC=C1Br	REAL300008132101	0	35	-1.0	-48.74	336.16	5.36	-43.38
CC1=CC([C@H](C)NS(=O)(=O)CCCC(=O)[O-])=CC=C1Br	REAL300008132102	0	37	-1.0	-51.29	335.73	5.59	-45.70
CC1=CC([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)=CC=C1Br	REAL300008132103	0	35	-1.0	-49.58	336.41	5.10	-44.48
CC1=CC([C@H](C)NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300008132104	0	37	-1.0	-47.90	345.42	5.12	-42.78
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])=CC=C1Br	REAL300008132105	0	37	-1.0	-53.72	337.17	6.08	-47.64
CC1=CC([C@H](C)NS(=O)(=O)CCCCCC(=O)[O-])=CC=C1Br	REAL300008132106	0	43	-1.0	-52.81	378.72	7.15	-45.66
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=CC=C1Br	REAL300008132107	0	37	-1.0	-50.90	346.10	5.12	-45.78
CC1=CC([C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])=CC=C1Br	REAL300008132108	0	39	-1.0	-49.48	347.81	5.09	-44.39
CC1=CC([C@H](C)NS(=O)(=O)CC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300008132109	0	41	-1.0	-47.86	360.60	6.84	-41.02
CC1=CC([C@H](C)NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)=CC=C1Br	REAL300008132110	0	35	-1.0	-53.42	328.63	5.84	-47.58
CC1=CC([C@H](C)NS(=O)(=O)C2(C(=O)[O-])CCC2)=CC=C1Br	REAL300008132111	0	38	-1.0	-43.71	332.30	6.11	-37.60
CC1=CC([C@H](C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])=CC=C1Br	REAL300008132112	0	35	-1.0	-51.77	327.51	4.01	-47.76
CC1=CC([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1Br	REAL300008132113	0	37	-1.0	-48.38	347.57	5.11	-43.27
CC1=CC([C@H](C)NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)=CC=C1Br	REAL300008132114	0	37	-1.0	-53.74	346.35	5.16	-48.58
CC1=CC([C@H](C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)=CC=C1Br	REAL300008132115	0	35	-1.0	-43.31	334.51	3.21	-40.10
CC1=CC([C@H](C)NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300008132116	0	38	-1.0	-50.42	337.49	5.98	-44.44
CC1=CC([C@H](C)NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300008132117	0	41	-1.0	-54.15	356.65	6.64	-47.51
CC1=CC([C@H](C)NS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])=CC=C1Br	REAL300008132118	0	38	-1.0	-53.04	346.38	6.28	-46.76
CC1=CC([C@H](C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)=CC=C1Br	REAL300008132119	0	35	-1.0	-43.31	334.51	3.21	-40.10
CC1=CC([C@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300008132120	0	40	-1.0	-55.48	348.52	6.03	-49.45
CC1=CC([C@H](C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])=CC=C1Br	REAL300008132121	0	35	-1.0	-51.77	327.51	4.01	-47.76
CC1=CC([C@H](C)NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])=CC=C1Br	REAL300008132122	0	38	-1.0	-55.96	330.08	6.68	-49.28
CC1=CC([C@H](C)NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])=CC=C1Br	REAL300008132123	0	37	-1.0	-44.18	336.25	6.06	-38.12
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1	REAL300008132124	0	32	-1.0	-51.13	317.18	5.07	-46.06
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132125	0	32	-1.0	-56.88	317.26	5.06	-51.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132126	0	35	-1.0	-53.88	328.65	5.88	-48.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132127	0	36	-1.0	-57.40	337.63	4.90	-52.50
CC1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300008132128	0	35	-1.0	-56.44	333.28	5.60	-50.84
O=C([O-])C1=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=CS1	REAL300008132129	0	29	-1.0	-50.54	296.81	4.73	-45.81
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132130	0	32	-1.0	-56.88	317.26	5.06	-51.82
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1	REAL300008132131	0	32	-1.0	-51.13	317.18	5.07	-46.06
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132132	0	32	-1.0	-53.69	302.52	5.83	-47.86
O=C([O-])C1=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=CN1	REAL300008132133	0	30	-1.0	-54.68	305.76	2.78	-51.90
O=C([O-])CN1C=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=N1	REAL300008132134	0	32	-1.0	-52.77	321.82	3.20	-49.57
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)S1	REAL300008132135	0	29	-1.0	-49.04	309.50	4.20	-44.84
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132136	0	29	-1.0	-55.32	293.35	2.10	-53.22
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CSC=C1C(F)(F)F	REAL300008132136	1	28	-2.0	-123.59	292.25	1.75	-121.84
O=C([O-])C1CCCN(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C1	REAL300008132137	0	37	-1.0	-48.05	333.44	4.13	-43.92
O=C([O-])C1CCN(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)CC1	REAL300008132138	0	37	-1.0	-51.51	334.28	4.21	-47.30
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132139	0	32	-1.0	-53.69	302.52	5.83	-47.86
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132140	0	32	-1.0	-47.34	319.11	6.33	-41.01
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)O1	REAL300008132141	0	29	-1.0	-50.18	302.00	3.43	-46.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)O1	REAL300008132141	1	28	-2.0	-103.79	300.90	3.07	-100.72
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)O1	REAL300008132142	0	32	-1.0	-52.72	320.23	3.90	-48.82
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)O1	REAL300008132142	1	31	-2.0	-102.79	319.13	3.54	-99.25
O=C([O-])CCCS(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132143	0	31	-1.0	-51.68	303.23	3.71	-47.97
O=C([O-])C1CCCN1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132144	0	34	-1.0	-56.06	317.04	4.22	-51.84
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1	REAL300008132145	0	35	-1.0	-56.88	340.98	5.80	-51.08
O=C([O-])C1CCN(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)CC1	REAL300008132146	0	37	-1.0	-51.51	334.28	4.21	-47.30
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132147	0	35	-1.0	-57.65	340.99	5.79	-51.86
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)O1	REAL300008132148	0	29	-1.0	-50.18	302.00	3.43	-46.75
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)O1	REAL300008132148	1	28	-2.0	-103.79	300.90	3.07	-100.72
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1	REAL300008132149	0	36	-1.0	-50.12	348.24	5.35	-44.77
O=C([O-])CCCS(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132150	0	31	-1.0	-51.68	303.23	3.71	-47.97
O=C([O-])C1=CSC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132151	0	29	-1.0	-52.84	310.39	4.09	-48.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1C	REAL300008132152	0	38	-1.0	-54.94	346.67	6.42	-48.52
CC1=CC=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1C(=O)[O-]	REAL300008132153	0	35	-1.0	-57.67	328.50	6.11	-51.56
O=C([O-])C1=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=CS1	REAL300008132154	0	29	-1.0	-51.33	308.88	4.10	-47.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132155	0	35	-1.0	-53.50	323.91	5.74	-47.76
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1	REAL300008132156	0	35	-1.0	-50.29	339.37	5.84	-44.45
O=C([O-])C1=COC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132157	0	29	-1.0	-52.04	302.25	3.18	-48.86
O=C([O-])C1=COC(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)=C1	REAL300008132157	1	28	-2.0	-100.81	301.15	2.82	-97.99
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132158	0	35	-1.0	-53.97	339.41	5.84	-48.13
CC1=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C(C(=O)[O-])O1	REAL300008132159	0	32	-1.0	-52.22	319.53	4.10	-48.12
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132160	0	31	-1.0	-50.73	312.42	3.26	-47.47
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132161	0	28	-1.0	-55.27	291.24	3.22	-52.05
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC1=CSC=C1C(F)(F)F	REAL300008132161	1	27	-2.0	-122.03	286.58	2.69	-119.34
O=C([O-])C1=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)SC=N1	REAL300008132162	0	28	-1.0	-61.43	292.40	2.58	-58.85
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)SC=N1	REAL300008132162	1	27	-2.0	-126.49	296.62	2.43	-124.06
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132163	0	31	-1.0	-57.14	298.09	4.01	-53.13
O=C([O-])CCCCCS(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132164	0	37	-1.0	-52.71	346.22	5.27	-47.44
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=N1	REAL300008132165	0	31	-1.0	-52.84	313.12	3.27	-49.57
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132166	0	32	-1.0	-51.11	333.97	5.57	-45.54
COC1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300008132167	0	36	-1.0	-58.01	344.53	5.13	-52.88
CC1=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008132168	0	35	-1.0	-50.28	333.25	5.61	-44.67
CN(CCC(=O)[O-])S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132169	0	33	-1.0	-50.44	316.64	3.29	-47.15
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132170	0	32	-1.0	-51.11	333.97	5.57	-45.54
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132171	0	32	-1.0	-54.37	317.29	5.55	-48.82
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1	REAL300008132172	0	35	-1.0	-56.88	340.98	5.80	-51.08
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132173	0	36	-1.0	-57.40	337.63	4.90	-52.50
CC1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300008132174	0	35	-1.0	-56.44	333.28	5.60	-50.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132175	0	35	-1.0	-53.88	328.65	5.88	-48.00
O=C([O-])CC1(CS(=O)(=O)NCC2=CSC=C2C(F)(F)F)CC1	REAL300008132176	0	35	-1.0	-50.50	327.81	4.93	-45.57
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132177	0	35	-1.0	-53.97	339.41	5.84	-48.13
CCC1=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C(C(=O)[O-])O1	REAL300008132178	0	35	-1.0	-52.00	339.46	4.94	-47.06
CC1=NC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1C(=O)[O-]	REAL300008132179	0	34	-1.0	-48.30	332.33	3.87	-44.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132180	0	36	-1.0	-50.76	337.63	4.90	-45.86
COC1=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008132181	0	36	-1.0	-56.63	344.53	5.14	-51.49
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C=C1F	REAL300008132182	0	35	-1.0	-51.70	344.83	5.89	-45.81
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132183	0	32	-1.0	-49.94	309.14	3.39	-46.55
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132184	0	32	-1.0	-51.12	319.98	4.02	-47.10
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)=C1	REAL300008132184	1	31	-2.0	-105.89	318.87	3.67	-102.22
O=C([O-])C1=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=CC=C1Cl	REAL300008132185	0	32	-1.0	-54.82	329.75	5.46	-49.36
O=C([O-])C1=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)OC=C1	REAL300008132186	0	29	-1.0	-56.91	294.46	3.92	-52.99
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)OC=C1	REAL300008132186	1	28	-2.0	-122.72	293.36	3.56	-119.16
O=C([O-])C1(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)CCC1	REAL300008132187	0	32	-1.0	-47.87	297.68	4.16	-43.71
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132188	0	36	-1.0	-52.04	331.78	5.12	-46.92
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132189	0	29	-1.0	-55.32	293.35	2.10	-53.22
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CSC=C1C(F)(F)F	REAL300008132189	1	28	-2.0	-123.59	292.25	1.75	-121.84
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132190	0	32	-1.0	-49.94	309.14	3.39	-46.55
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132191	0	31	-1.0	-48.62	313.45	3.19	-45.43
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132192	0	35	-1.0	-58.56	330.93	6.23	-52.33
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)=C1	REAL300008132193	0	28	-2.0	-96.69	315.80	3.36	-93.33
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=C1	REAL300008132193	1	29	-1.0	-48.67	316.90	3.71	-44.96
COC1=CC=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C(C(=O)[O-])=C1	REAL300008132194	0	36	-1.0	-55.04	331.83	5.11	-49.93
O=C([O-])C1=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=CC=N1	REAL300008132195	0	31	-1.0	-54.89	313.32	3.28	-51.61
O=C([O-])C1=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=NN1	REAL300008132196	0	29	-1.0	-45.74	300.72	1.31	-44.43
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132197	0	32	-1.0	-55.75	318.71	2.81	-52.94
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C1	REAL300008132198	0	32	-1.0	-51.17	305.62	4.10	-47.07
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2=CSC=C2C(F)(F)F)C1	REAL300008132199	0	35	-1.0	-54.13	324.14	4.73	-49.40
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)S1	REAL300008132200	0	32	-1.0	-52.82	327.32	4.75	-48.07
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132201	0	35	-1.0	-59.21	326.61	6.16	-53.05
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132202	0	32	-1.0	-53.41	313.84	4.40	-49.01
O=C([O-])C1CCCCN1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132203	0	37	-1.0	-51.92	319.52	4.97	-46.95
O=C([O-])C1=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=NN1	REAL300008132204	0	29	-1.0	-45.74	300.72	1.31	-44.43
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132205	0	34	-1.0	-56.08	317.00	4.22	-51.86
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132206	0	29	-1.0	-55.32	293.35	2.10	-53.22
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CSC=C1C(F)(F)F	REAL300008132206	1	28	-2.0	-123.59	292.25	1.75	-121.84
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132207	0	32	-1.0	-56.13	297.54	4.81	-51.32
CC1=CC(S(=O)(=O)NCC2=CSC=C2C(F)(F)F)=CN=C1C(=O)[O-]	REAL300008132208	0	34	-1.0	-54.42	329.92	3.82	-50.60
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132209	0	35	-1.0	-59.21	326.61	6.16	-53.05
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1=CSC=C1C(F)(F)F	REAL300008132210	0	31	-1.0	-47.93	297.23	3.99	-43.94
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1	REAL300008132211	0	33	-1.0	-57.65	307.17	3.02	-54.63
O=C([O-])C1=CC=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132212	0	33	-1.0	-63.62	307.16	3.02	-60.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132213	0	36	-1.0	-62.19	321.84	3.93	-58.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132214	0	37	-1.0	-66.83	327.57	2.84	-63.99
CC1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1C(=O)[O-]	REAL300008132215	0	36	-1.0	-63.07	323.22	3.56	-59.51
O=C([O-])C1=C(S(=O)(=O)NCCCN2C=NN=N2)C=CS1	REAL300008132216	0	30	-1.0	-54.72	290.34	2.81	-51.91
O=C([O-])C1=CC=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132217	0	33	-1.0	-63.62	307.16	3.02	-60.60
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1	REAL300008132218	0	33	-1.0	-57.65	307.17	3.02	-54.63
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132219	0	33	-1.0	-57.98	296.44	3.89	-54.09
O=C([O-])C1=CC(S(=O)(=O)NCCCN2C=NN=N2)=CN1	REAL300008132220	0	31	-1.0	-56.77	295.71	0.75	-56.02
O=C([O-])CN1C=C(S(=O)(=O)NCCCN2C=NN=N2)C=N1	REAL300008132221	0	33	-1.0	-56.60	311.74	1.14	-55.46
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)S1	REAL300008132222	0	30	-1.0	-54.76	299.43	2.16	-52.60
O=C([O-])C1=CNN=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132223	0	30	-1.0	-66.16	282.41	0.02	-66.14
O=C([O-])C1CCCN(S(=O)(=O)NCCCN2C=NN=N2)C1	REAL300008132224	0	38	-1.0	-58.85	322.59	2.05	-56.80
O=C([O-])C1CCN(S(=O)(=O)NCCCN2C=NN=N2)CC1	REAL300008132225	0	38	-1.0	-62.72	324.21	2.16	-60.56
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132226	0	33	-1.0	-57.98	296.44	3.89	-54.09
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132227	0	33	-1.0	-51.55	313.30	4.39	-47.16
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)O1	REAL300008132228	0	30	-1.0	-54.88	291.94	1.39	-53.49
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCCN2C=NN=N2)O1	REAL300008132229	0	33	-1.0	-58.42	310.17	1.84	-56.58
O=C([O-])C1CCCN1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132230	0	35	-1.0	-52.70	306.77	1.84	-50.86
O=C([O-])C1=CC=C(CS(=O)(=O)NCCCN2C=NN=N2)C=C1	REAL300008132231	0	36	-1.0	-70.85	330.96	3.74	-67.11
O=C([O-])C1CCN(S(=O)(=O)NCCCN2C=NN=N2)CC1	REAL300008132232	0	38	-1.0	-62.72	324.21	2.16	-60.56
O=C([O-])C1=CC=CC(CS(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132233	0	36	-1.0	-70.05	330.97	3.73	-66.32
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)O1	REAL300008132234	0	30	-1.0	-54.88	291.94	1.39	-53.49
O=C([O-])COC1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1	REAL300008132235	0	37	-1.0	-58.06	338.25	3.30	-54.76
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132236	0	37	-1.0	-53.23	346.22	3.98	-49.25
O=C([O-])C1=CSC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132237	0	30	-1.0	-59.44	300.34	2.05	-57.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1C	REAL300008132238	0	39	-1.0	-63.22	338.77	4.45	-58.77
CC1=CC=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1C(=O)[O-]	REAL300008132239	0	36	-1.0	-61.75	324.10	4.06	-57.69
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132240	0	40	-1.0	-58.43	362.25	2.73	-55.70
O=C([O-])C1=CC(S(=O)(=O)NCCCN2C=NN=N2)=CS1	REAL300008132241	0	30	-1.0	-56.45	298.84	2.05	-54.40
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132242	0	36	-1.0	-50.13	335.27	4.87	-45.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132243	0	36	-1.0	-57.15	317.10	3.70	-53.45
O=C([O-])C1=C(S(=O)(=O)NCCCN2C=NN=N2)C2=CC=CC=C2S1	REAL300008132244	0	36	-1.0	-60.48	334.69	5.34	-55.14
O=C([O-])CC1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1	REAL300008132245	0	36	-1.0	-58.71	329.35	3.80	-54.91
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1[N+](=O)[O-]	REAL300008132246	0	38	-1.0	-52.73	345.45	4.06	-48.67
O=C([O-])C1=COC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132247	0	30	-1.0	-58.02	292.18	1.13	-56.89
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132248	0	36	-1.0	-62.74	329.35	3.80	-58.94
CC1=C(S(=O)(=O)NCCCN2C=NN=N2)C=C(C(=O)[O-])O1	REAL300008132249	0	33	-1.0	-59.90	311.92	2.11	-57.79
O=C([O-])C1=CN=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132250	0	32	-1.0	-56.98	302.35	1.22	-55.76
O=C([O-])C1=NSC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132251	0	29	-1.0	-58.91	284.68	1.26	-57.65
O=C([O-])C1=C(S(=O)(=O)NCCCN2C=NN=N2)SC=N1	REAL300008132252	0	29	-1.0	-64.08	288.75	0.72	-63.36
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132253	0	32	-1.0	-61.36	293.38	2.11	-59.25
O=C([O-])CCCCCS(=O)(=O)NCCCN1C=NN=N1	REAL300008132254	0	38	-1.0	-65.07	336.19	3.21	-61.86
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=N1	REAL300008132255	0	32	-1.0	-58.89	303.02	1.23	-57.66
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132256	0	33	-1.0	-57.61	323.91	3.52	-54.09
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132257	0	33	-1.0	-57.46	328.47	3.63	-53.83
COC1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1C(=O)[O-]	REAL300008132258	0	37	-1.0	-62.58	334.47	3.08	-59.50
CC1=CC(S(=O)(=O)NCCCN2C=NN=N2)=CC=C1C(=O)[O-]	REAL300008132259	0	36	-1.0	-56.68	323.18	3.56	-53.12
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCCCN3C=NN=N3)C=CC=C21	REAL300008132260	0	38	-1.0	-61.16	339.93	3.44	-57.72
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132261	0	40	-1.0	-58.43	362.25	2.73	-55.70
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132262	0	33	-1.0	-57.61	323.91	3.52	-54.09
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132263	0	33	-1.0	-60.01	307.29	3.52	-56.49
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132264	0	36	-1.0	-57.01	335.70	4.35	-52.66
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCCCN3C=NN=N3)C=C12	REAL300008132265	0	39	-1.0	-61.92	354.14	4.36	-57.56
O=C([O-])C1=CC=C(CS(=O)(=O)NCCCN2C=NN=N2)C=C1	REAL300008132266	0	36	-1.0	-70.85	330.96	3.74	-67.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132267	0	37	-1.0	-66.83	327.57	2.84	-63.99
CC1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1C(=O)[O-]	REAL300008132268	0	36	-1.0	-63.07	323.22	3.56	-59.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132269	0	36	-1.0	-62.19	321.84	3.93	-58.26
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132270	0	37	-1.0	-52.58	341.04	3.08	-49.50
O=C([O-])CC1(CS(=O)(=O)NCCCN2C=NN=N2)CC1	REAL300008132271	0	36	-1.0	-56.88	317.73	2.89	-53.99
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132272	0	36	-1.0	-62.74	329.35	3.80	-58.94
COC1=C(S(=O)(=O)NCCCN2C=NN=N2)SC(C(=O)[O-])=C1	REAL300008132273	0	34	-1.0	-54.51	325.40	1.29	-53.22
O=C([O-])C1CC2=CC(S(=O)(=O)NCCCN3C=NN=N3)=CC=C2O1	REAL300008132274	0	38	-1.0	-57.64	344.00	3.68	-53.96
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1C(F)(F)F	REAL300008132275	0	36	-1.0	-57.04	337.29	3.82	-53.22
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCCCN3C=NN=N3)C=C2)CC1	REAL300008132276	0	40	-1.0	-64.22	353.31	4.91	-59.31
CCC1=C(S(=O)(=O)NCCCN2C=NN=N2)C=C(C(=O)[O-])O1	REAL300008132277	0	36	-1.0	-59.49	331.49	2.93	-56.56
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132278	0	35	-1.0	-52.75	324.62	4.56	-48.19
O=C([O-])C1=CC2=CC(S(=O)(=O)NCCCN3C=NN=N3)=CC=C2S1	REAL300008132279	0	36	-1.0	-59.16	345.05	4.52	-54.64
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132280	0	35	-1.0	-47.19	324.71	4.54	-42.65
CC1=NC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1C(=O)[O-]	REAL300008132281	0	35	-1.0	-51.68	318.60	1.73	-49.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132282	0	37	-1.0	-57.51	327.60	2.85	-54.66
COC1=CC(S(=O)(=O)NCCCN2C=NN=N2)=CC=C1C(=O)[O-]	REAL300008132283	0	37	-1.0	-62.57	334.45	3.09	-59.48
COC1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C(CC(=O)[O-])=C1	REAL300008132284	0	40	-1.0	-67.68	349.05	3.51	-64.17
O=C([O-])CC1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1F	REAL300008132285	0	36	-1.0	-60.05	334.76	3.85	-56.20
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132286	0	36	-1.0	-51.78	345.88	4.02	-47.76
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1	REAL300008132287	0	42	-1.0	-61.27	362.09	4.70	-56.57
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132288	0	33	-1.0	-53.36	299.16	1.36	-52.00
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCCCN3C=NN=N3)C=CC=C12	REAL300008132289	0	39	-1.0	-59.20	343.43	5.24	-53.96
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132290	0	33	-1.0	-55.59	309.90	1.99	-53.60
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132291	0	33	-1.0	-51.38	317.87	4.50	-46.88
O=C([O-])C1=CC(S(=O)(=O)NCCCN2C=NN=N2)=CC=C1Cl	REAL300008132292	0	33	-1.0	-61.74	319.70	3.41	-58.33
O=C([O-])C1=C(S(=O)(=O)NCCCN2C=NN=N2)OC=C1	REAL300008132293	0	30	-1.0	-69.78	287.57	1.43	-68.35
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132294	0	37	-1.0	-55.89	325.96	3.18	-52.71
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCCCN2C=NN=N2)=C1OC	REAL300008132295	0	45	-1.0	-59.59	386.14	4.13	-55.46
O=C([O-])C1=CNN=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132296	0	30	-1.0	-66.16	282.41	0.02	-66.14
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132297	0	33	-1.0	-53.36	299.16	1.36	-52.00
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1C(=O)[O-]	REAL300008132298	0	35	-2.0	-142.21	334.05	3.98	-138.23
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132299	0	40	-1.0	-60.38	353.59	3.15	-57.23
O=C([O-])C1=CC=NC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132300	0	32	-1.0	-60.39	300.63	1.34	-59.05
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCCCN1C=NN=N1	REAL300008132301	0	36	-1.0	-66.89	320.92	4.17	-62.72
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132302	0	30	-1.0	-54.41	306.83	1.66	-52.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCN2C=NN=N2)=C1	REAL300008132302	1	29	-2.0	-98.70	304.60	1.29	-97.41
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C2=CC=CC=C12	REAL300008132303	0	39	-1.0	-58.36	343.08	5.24	-53.12
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132304	0	40	-1.0	-66.12	349.43	3.77	-62.35
COC1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C(C(=O)[O-])=C1	REAL300008132305	0	37	-1.0	-58.69	325.87	3.19	-55.50
O=C([O-])C1=CC(S(=O)(=O)NCCCN2C=NN=N2)=CC=N1	REAL300008132306	0	32	-1.0	-65.76	303.25	1.24	-64.52
O=C([O-])C1=CC(S(=O)(=O)NCCCN2C=NN=N2)=NN1	REAL300008132307	0	30	-1.0	-50.63	290.66	-0.74	-51.37
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132308	0	33	-1.0	-65.21	310.64	0.63	-64.58
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCCCN3C=NN=N3)C=C2C=C1	REAL300008132309	0	39	-1.0	-62.25	353.09	5.27	-56.98
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCCCN2C=NN=N2)C1	REAL300008132310	0	36	-1.0	-66.99	314.22	2.73	-64.26
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCCN2C=NN=N2)S1	REAL300008132311	0	33	-1.0	-59.50	318.45	2.75	-56.75
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132312	0	39	-1.0	-59.98	342.21	6.17	-53.81
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCCCN2C=NN=N2)=C1	REAL300008132313	0	36	-1.0	-53.52	331.96	4.60	-48.92
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132314	0	36	-1.0	-67.10	319.70	4.16	-62.94
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCCCN1C=NN=N1)=C2	REAL300008132315	0	33	-1.0	-58.38	336.90	3.60	-54.78
O=C([O-])C1=NC(S(=O)(=O)NCCCN2C=NN=N2)=C2C=CC=CN12	REAL300008132316	0	36	-1.0	-62.21	332.93	1.77	-60.44
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCCCN3C=NN=N3)=C2C=C1	REAL300008132317	0	36	-1.0	-52.64	333.73	4.26	-48.38
O=C([O-])C1CCCCN1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132318	0	38	-1.0	-60.15	314.18	3.05	-57.10
O=C([O-])C1=CC(S(=O)(=O)NCCCN2C=NN=N2)=NN1	REAL300008132319	0	30	-1.0	-50.63	290.66	-0.74	-51.37
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132320	0	35	-1.0	-53.60	309.30	1.72	-51.88
O=C([O-])C1=CNN=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132321	0	30	-1.0	-66.16	282.41	0.02	-66.14
O=C([O-])C1=C(S(=O)(=O)NCCCN2C=NN=N2)C=C(Cl)S1	REAL300008132322	0	30	-1.0	-49.56	307.41	3.42	-46.14
CC1=CC(S(=O)(=O)NCCCN2C=NN=N2)=CN=C1C(=O)[O-]	REAL300008132323	0	35	-1.0	-60.76	319.55	1.79	-58.97
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132324	0	36	-1.0	-67.10	319.70	4.16	-62.94
CCOC1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1C(=O)[O-]	REAL300008132325	0	40	-1.0	-63.01	356.32	3.99	-59.02
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCCCN3C=NN=N3)C=C2C1	REAL300008132326	0	40	-1.0	-56.94	352.61	4.91	-52.03
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCCCN1C=NN=N1	REAL300008132327	0	32	-1.0	-52.18	292.00	2.09	-50.09
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCCCN3C=NN=N3)C=C2C=C1	REAL300008132328	0	38	-1.0	-65.96	348.93	3.39	-62.57
CCC(C)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132329	0	41	-1.0	-56.13	336.20	6.83	-49.30
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132330	0	32	-1.0	-46.07	295.43	6.00	-40.07
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008132331	0	33	-1.0	-45.95	300.73	5.08	-40.87
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008132332	0	35	-1.0	-59.15	316.93	1.95	-57.20
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008132333	0	33	-1.0	-50.78	302.23	4.22	-46.56
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300008132334	0	40	-1.0	-48.51	329.71	4.47	-44.04
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132335	0	32	-1.0	-42.70	285.48	5.72	-36.98
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008132336	0	45	-1.0	-55.86	359.36	8.04	-47.82
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008132337	0	35	-1.0	-54.05	300.76	3.57	-50.48
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1Br	REAL300008132338	0	29	-1.0	-44.30	270.55	5.19	-39.11
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008132339	0	29	-1.0	-52.41	275.46	5.02	-47.39
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132340	0	34	-1.0	-58.29	277.00	6.87	-51.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008132341	0	35	-1.0	-43.24	323.63	6.76	-36.48
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132342	0	39	-1.0	-48.54	344.69	1.29	-47.25
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132343	0	40	-1.0	-56.00	339.95	6.06	-49.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008132344	0	35	-1.0	-47.40	307.64	5.22	-42.18
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300008132345	0	35	-1.0	-50.74	305.32	2.02	-48.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008132346	0	38	-1.0	-69.77	342.54	2.45	-67.32
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1C	REAL300008132347	0	39	-1.0	-47.02	318.88	5.28	-41.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008132348	0	34	-1.0	-49.59	315.10	5.27	-44.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008132349	0	32	-1.0	-42.74	306.72	6.09	-36.65
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008132350	0	34	-1.0	-55.34	296.40	4.77	-50.57
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132351	0	46	-1.0	-61.87	395.54	3.42	-58.45
CN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300008132352	0	39	-1.0	-46.16	334.93	0.38	-45.78
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300008132353	0	38	-1.0	-53.50	336.06	5.84	-47.66
CCN1N=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300008132354	0	38	-1.0	-51.15	318.94	4.65	-46.50
CC(C)CN1C=NC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132355	0	38	-1.0	-60.38	323.06	6.06	-54.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008132356	0	41	-1.0	-46.73	312.81	7.36	-39.37
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008132357	0	42	-1.0	-54.31	357.27	7.26	-47.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008132358	0	37	-1.0	-64.67	321.77	3.74	-60.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300008132359	0	35	-1.0	-51.77	322.53	5.61	-46.16
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300008132360	0	37	-1.0	-45.52	326.56	4.35	-41.17
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(OC)C=C1Br	REAL300008132361	0	37	-1.0	-47.57	334.10	4.56	-43.01
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300008132362	0	32	-1.0	-52.68	295.75	5.60	-47.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008132363	0	35	-1.0	-48.12	308.44	7.09	-41.03
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008132364	0	34	-1.0	-37.46	312.78	6.66	-30.80
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300008132365	0	40	-1.0	-46.47	381.44	5.46	-41.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008132366	0	33	-1.0	-52.32	301.70	4.07	-48.25
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008132367	0	36	-1.0	-49.21	321.51	6.23	-42.98
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132368	0	44	-1.0	-45.65	357.58	6.14	-39.51
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008132369	0	32	-1.0	-56.45	291.68	5.17	-51.28
COCC1=CC=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132370	0	40	-1.0	-50.87	339.30	4.32	-46.55
CC1=CC(S(=O)(=O)NC(CC2CC=CCC2)C(=O)[O-])=CC=N1	REAL300008134001	0	41	-1.0	-50.76	336.45	5.15	-45.61
O=C([O-])C(CC1CC=CCC1)NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300008134002	0	43	-1.0	-49.16	344.50	6.08	-43.08
O=C([O-])C(CC1CC=CCC1)NS(=O)(=O)N1CCC(F)(F)C1	REAL300008134003	0	41	-1.0	-44.12	341.95	4.63	-39.49
O=C([O-])C(CC1CC=CCC1)NS(=O)(=O)C1=CN=CS1	REAL300008134004	0	35	-1.0	-51.42	310.79	3.13	-48.29
O=C([O-])C(CC1CC=CCC1)NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008134005	0	41	-1.0	-56.81	347.25	5.26	-51.55
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CC2CC=CCC2)C(=O)[O-])=C1	REAL300008134006	0	52	-1.0	-60.14	401.90	8.86	-51.28
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C1	REAL300008134007	0	43	-1.0	-47.34	365.62	8.41	-38.93
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134008	0	43	-1.0	-52.65	365.25	8.40	-44.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134009	0	46	-1.0	-57.76	372.34	8.80	-48.96
CC1=CC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C1C(=O)[O-]	REAL300008134010	0	46	-1.0	-52.07	381.26	8.94	-43.13
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=CS1	REAL300008134011	0	40	-1.0	-63.63	351.51	8.16	-55.47
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134012	0	43	-1.0	-52.65	365.25	8.40	-44.25
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C1	REAL300008134013	0	43	-1.0	-47.34	365.62	8.41	-38.93
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134014	0	43	-1.0	-69.09	357.72	9.57	-59.52
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=CN1	REAL300008134015	0	41	-1.0	-51.95	353.87	6.16	-45.79
O=C([O-])CN1C=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=N1	REAL300008134016	0	43	-1.0	-48.73	369.81	6.55	-42.18
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)S1	REAL300008134017	0	40	-1.0	-47.57	357.51	7.53	-40.04
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134018	0	40	-1.0	-50.52	338.70	5.34	-45.18
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C1	REAL300008134019	0	48	-1.0	-50.07	383.58	7.60	-42.47
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)CC1	REAL300008134020	0	48	-1.0	-50.89	382.33	7.55	-43.34
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134021	0	43	-1.0	-69.09	357.72	9.57	-59.52
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300008134022	0	40	-1.0	-49.26	350.00	6.77	-42.49
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300008134023	0	43	-1.0	-48.98	369.85	7.31	-41.67
O=C([O-])CCCS(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134024	0	42	-1.0	-53.54	349.35	6.95	-46.59
O=C([O-])C1CCCN1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134025	0	45	-1.0	-57.85	367.22	7.26	-50.59
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C1	REAL300008134026	0	46	-1.0	-60.09	387.11	9.05	-51.04
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)CC1	REAL300008134027	0	48	-1.0	-50.89	382.33	7.55	-43.34
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134028	0	46	-1.0	-61.55	387.12	9.04	-52.51
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300008134029	0	40	-1.0	-49.26	350.00	6.77	-42.49
O=C([O-])CCCS(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134030	0	42	-1.0	-53.54	349.35	6.95	-46.59
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134031	0	40	-1.0	-49.34	358.45	7.43	-41.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1C	REAL300008134032	0	49	-1.0	-58.61	388.61	9.30	-49.31
CC1=CC=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1C(=O)[O-]	REAL300008134033	0	46	-1.0	-52.36	373.33	9.30	-43.06
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=CS1	REAL300008134034	0	40	-1.0	-52.00	357.00	7.47	-44.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134035	0	46	-1.0	-47.73	367.96	8.70	-39.03
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C1	REAL300008134036	0	46	-1.0	-49.83	387.42	9.19	-40.64
O=C([O-])C1=COC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134037	0	40	-1.0	-48.51	350.30	6.54	-41.97
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134038	0	46	-1.0	-52.63	387.47	9.19	-43.44
CC1=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C(C(=O)[O-])O1	REAL300008134039	0	43	-1.0	-54.25	363.39	7.36	-46.89
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134040	0	42	-1.0	-47.81	360.52	6.64	-41.17
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134041	0	39	-1.0	-68.48	346.03	6.60	-61.88
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)SC=N1	REAL300008134042	0	39	-1.0	-67.82	347.68	6.23	-61.59
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134043	0	42	-1.0	-72.28	354.36	7.82	-64.46
O=C([O-])CCCCCS(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134044	0	48	-1.0	-54.84	392.34	8.51	-46.33
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=N1	REAL300008134045	0	42	-1.0	-51.01	361.15	6.64	-44.37
CC1=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=CC=C1C(=O)[O-]	REAL300008134046	0	46	-1.0	-48.42	381.26	8.95	-39.47
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134047	0	44	-1.0	-49.34	365.26	6.57	-42.77
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134048	0	43	-1.0	-51.79	361.23	8.75	-43.04
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C1	REAL300008134049	0	46	-1.0	-60.09	387.11	9.05	-51.04
CC1=CC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C1C(=O)[O-]	REAL300008134050	0	46	-1.0	-52.07	381.26	8.94	-43.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134051	0	46	-1.0	-57.76	372.34	8.80	-48.96
O=C([O-])CC1(CS(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)CC1	REAL300008134052	0	46	-1.0	-50.46	376.45	8.26	-42.20
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134053	0	46	-1.0	-52.63	387.47	9.19	-43.44
CCC1=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C(C(=O)[O-])O1	REAL300008134054	0	46	-1.0	-53.38	383.60	8.05	-45.33
CC1=NC=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C=C1C(=O)[O-]	REAL300008134055	0	45	-1.0	-46.09	376.74	7.14	-38.95
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134056	0	43	-1.0	-50.55	354.42	6.66	-43.89
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134057	0	43	-1.0	-50.28	367.97	7.38	-42.90
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)OC=C1	REAL300008134058	0	40	-1.0	-62.13	346.64	6.84	-55.29
O=C([O-])C1(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)CCC1	REAL300008134059	0	43	-1.0	-43.80	347.38	7.66	-36.14
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134060	0	40	-1.0	-50.52	338.70	5.34	-45.18
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134061	0	43	-1.0	-50.55	354.42	6.66	-43.89
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134062	0	42	-1.0	-47.24	361.48	6.53	-40.71
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134063	0	46	-1.0	-56.40	379.02	9.55	-46.85
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300008134064	0	40	-1.0	-47.02	365.05	7.09	-39.93
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=CC=N1	REAL300008134065	0	42	-1.0	-54.71	361.32	6.64	-48.07
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=NN1	REAL300008134066	0	40	-1.0	-42.15	349.12	4.67	-37.48
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134067	0	43	-1.0	-52.17	366.72	6.19	-45.98
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C1	REAL300008134068	0	43	-1.0	-53.98	355.91	7.56	-46.42
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)C1	REAL300008134069	0	46	-1.0	-53.19	368.61	7.97	-45.22
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)S1	REAL300008134070	0	43	-1.0	-49.15	375.37	8.10	-41.05
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134071	0	46	-1.0	-63.98	379.11	9.92	-54.06
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134072	0	43	-1.0	-56.20	361.97	7.75	-48.45
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134073	0	48	-1.0	-51.04	369.77	8.12	-42.92
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=NN1	REAL300008134074	0	40	-1.0	-42.15	349.12	4.67	-37.48
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134075	0	45	-1.0	-57.82	367.03	7.27	-50.55
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134076	0	40	-1.0	-50.52	338.70	5.34	-45.18
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134077	0	43	-1.0	-55.36	345.64	8.13	-47.23
CC1=CC(S(=O)(=O)N2CCC3(CC2)C(F)(F)C32CCC2)=CN=C1C(=O)[O-]	REAL300008134078	0	45	-1.0	-51.34	377.88	7.16	-44.18
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134079	0	46	-1.0	-63.98	379.11	9.92	-54.06
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300008134080	0	42	-1.0	-60.27	353.23	7.75	-52.52
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)=CC2	REAL300008134081	0	46	-1.0	-48.63	372.19	7.40	-41.23
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)=CC2	REAL300008134082	0	46	-1.0	-53.59	372.39	7.39	-46.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134083	0	49	-1.0	-56.08	387.01	8.29	-47.79
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134084	0	50	-1.0	-53.98	382.82	6.97	-47.01
CC1=CC=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C1C(=O)[O-]	REAL300008134085	0	49	-1.0	-51.72	388.34	7.94	-43.78
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1)=CC2	REAL300008134086	0	43	-1.0	-46.82	355.55	7.18	-39.64
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)=CC2	REAL300008134087	0	46	-1.0	-53.59	372.39	7.39	-46.20
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)=CC2	REAL300008134088	0	46	-1.0	-48.63	372.19	7.40	-41.23
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])=CC2	REAL300008134089	0	46	-1.0	-50.30	361.60	8.27	-42.03
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CNC(C(=O)[O-])=C1)=CC2	REAL300008134090	0	44	-1.0	-50.36	360.82	5.12	-45.24
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)=CC2	REAL300008134091	0	46	-1.0	-50.07	376.86	5.52	-44.55
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1)=CC2	REAL300008134092	0	43	-1.0	-47.74	364.55	6.53	-41.21
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=NNC=C1C(=O)[O-])=CC2	REAL300008134093	0	43	-1.0	-51.60	348.49	4.43	-47.17
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)N1CCCC(C(=O)[O-])C1)=CC2	REAL300008134094	0	51	-1.0	-48.98	390.59	6.57	-42.41
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1)=CC2	REAL300008134095	0	51	-1.0	-47.95	388.95	6.49	-41.46
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])=CC2	REAL300008134096	0	46	-1.0	-50.30	361.60	8.27	-42.03
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])=CC2	REAL300008134097	0	46	-1.0	-44.01	378.40	8.77	-35.24
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)=CC2	REAL300008134098	0	43	-1.0	-50.37	357.14	5.77	-44.60
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)O1	REAL300008134099	0	46	-1.0	-49.41	376.99	6.29	-43.12
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)CCCC(=O)[O-])=CC2	REAL300008134100	0	45	-1.0	-51.15	358.27	6.02	-45.13
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)N1CCCC1C(=O)[O-])=CC2	REAL300008134101	0	48	-1.0	-57.60	374.23	6.24	-51.36
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)=CC2	REAL300008134102	0	49	-1.0	-56.79	396.00	8.11	-48.68
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1)=CC2	REAL300008134103	0	51	-1.0	-47.95	388.95	6.49	-41.46
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)=CC2	REAL300008134104	0	49	-1.0	-59.03	395.99	8.11	-50.92
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)=CC2	REAL300008134105	0	43	-1.0	-50.37	357.14	5.77	-44.60
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)=CC2	REAL300008134106	0	50	-1.0	-47.95	403.28	7.68	-40.27
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)CCCC(=O)[O-])=CC2	REAL300008134107	0	45	-1.0	-51.15	358.27	6.02	-45.13
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1)=CC2	REAL300008134108	0	43	-1.0	-49.10	365.57	6.42	-42.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)=C1C	REAL300008134109	0	52	-1.0	-57.33	403.98	8.83	-48.50
CC1=CC=CC(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)=C1C(=O)[O-]	REAL300008134110	0	49	-1.0	-54.35	388.89	8.44	-45.91
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)=C1	REAL300008134111	0	53	-1.0	-54.44	427.36	7.11	-47.33
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1)=CC2	REAL300008134112	0	43	-1.0	-51.64	363.97	6.42	-45.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134113	0	49	-1.0	-48.83	381.47	8.13	-40.70
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)=CC2	REAL300008134114	0	49	-1.0	-48.43	394.38	8.18	-40.25
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC(C(=O)[O-])=CO1)=CC2	REAL300008134115	0	43	-1.0	-48.91	357.39	5.51	-43.40
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)=CC2	REAL300008134116	0	49	-1.0	-51.50	394.56	8.17	-43.33
CC1=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C(C(=O)[O-])O1	REAL300008134117	0	46	-1.0	-53.25	376.25	6.51	-46.74
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)=CC2	REAL300008134118	0	45	-1.0	-47.60	367.46	5.61	-41.99
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CSN=C1C(=O)[O-])=CC2	REAL300008134119	0	42	-1.0	-50.64	349.91	5.65	-44.99
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=C(C(=O)[O-])N=CS1)=CC2	REAL300008134120	0	42	-1.0	-53.86	353.96	5.11	-48.75
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CN=C1C(=O)[O-])=CC2	REAL300008134121	0	45	-1.0	-53.47	358.36	6.48	-46.99
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)CCCCCC(=O)[O-])=CC2	REAL300008134122	0	51	-1.0	-52.32	401.22	7.59	-44.73
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)=CC2	REAL300008134123	0	45	-1.0	-50.79	368.17	5.62	-45.17
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)=CC2	REAL300008134124	0	46	-1.0	-46.85	389.03	7.91	-38.94
COC1=CC=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C1C(=O)[O-]	REAL300008134125	0	50	-1.0	-57.80	399.59	7.47	-50.33
CC1=CC(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)=CC=C1C(=O)[O-]	REAL300008134126	0	49	-1.0	-48.00	388.31	7.94	-40.06
CN(CCC(=O)[O-])S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134127	0	47	-1.0	-47.97	371.36	5.62	-42.35
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)=C1	REAL300008134128	0	53	-1.0	-54.44	427.36	7.11	-47.33
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)=CC2	REAL300008134129	0	46	-1.0	-46.85	389.03	7.91	-38.94
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134130	0	46	-1.0	-49.02	372.85	8.00	-41.02
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134131	0	49	-1.0	-50.45	400.78	8.73	-41.72
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)=CC2	REAL300008134132	0	49	-1.0	-56.79	396.00	8.11	-48.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134133	0	50	-1.0	-53.98	382.82	6.97	-47.01
CC1=CC=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C1C(=O)[O-]	REAL300008134134	0	49	-1.0	-51.72	388.34	7.94	-43.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134135	0	49	-1.0	-56.08	387.01	8.29	-47.79
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134136	0	50	-1.0	-46.07	406.58	7.45	-38.62
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)CC1(CC(=O)[O-])CC1)=CC2	REAL300008134137	0	49	-1.0	-54.59	381.25	7.21	-47.38
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)=CC2	REAL300008134138	0	49	-1.0	-51.50	394.56	8.17	-43.33
COC1=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)SC(C(=O)[O-])=C1	REAL300008134139	0	47	-1.0	-47.60	390.52	5.68	-41.92
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C3OC(C(=O)[O-])CC3=C1)=CC2	REAL300008134140	0	51	-1.0	-49.14	409.22	8.07	-41.07
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C3(C(=O)[O-])CC3)C=C1)=CC2	REAL300008134141	0	53	-1.0	-49.90	416.79	9.24	-40.66
CCC1=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C(C(=O)[O-])O1	REAL300008134142	0	49	-1.0	-52.90	396.70	7.30	-45.60
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])=CC2	REAL300008134143	0	48	-1.0	-44.05	389.81	8.93	-35.12
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])=CC2	REAL300008134144	0	48	-1.0	-39.23	389.86	8.92	-30.31
CC1=NC=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C1C(=O)[O-]	REAL300008134145	0	48	-1.0	-47.16	383.76	6.12	-41.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134146	0	50	-1.0	-47.68	382.50	6.96	-40.72
COC1=CC(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)=CC=C1C(=O)[O-]	REAL300008134147	0	50	-1.0	-53.84	399.65	7.47	-46.37
COC1=CC=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C(CC(=O)[O-])=C1	REAL300008134148	0	53	-1.0	-56.81	414.19	7.91	-48.90
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)=CC2	REAL300008134149	0	49	-1.0	-49.09	399.90	8.22	-40.87
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C1	REAL300008134150	0	55	-1.0	-49.27	425.37	9.03	-40.24
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134151	0	46	-1.0	-52.23	364.27	5.72	-46.51
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)=CC2	REAL300008134152	0	52	-1.0	-50.68	408.53	9.62	-41.06
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)=C1	REAL300008134153	0	46	-1.0	-51.41	375.11	6.35	-45.06
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)=CC2	REAL300008134154	0	46	-1.0	-51.51	384.89	7.79	-43.72
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=C(C(=O)[O-])C=CO1)=CC2	REAL300008134155	0	43	-1.0	-58.96	352.69	5.80	-53.16
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1(C(=O)[O-])CCC1)=CC2	REAL300008134156	0	46	-1.0	-44.32	356.87	6.60	-37.72
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)=C1	REAL300008134157	0	50	-1.0	-48.88	391.07	7.57	-41.31
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=NNC=C1C(=O)[O-])=CC2	REAL300008134158	0	43	-1.0	-51.60	348.49	4.43	-47.17
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134159	0	46	-1.0	-52.23	364.27	5.72	-46.51
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)=CC2	REAL300008134160	0	48	-2.0	-138.26	399.24	8.36	-129.90
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134161	0	53	-1.0	-54.29	419.20	7.48	-46.81
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)=CC2	REAL300008134162	0	45	-1.0	-48.43	368.60	5.52	-42.91
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])=CC2	REAL300008134163	0	49	-1.0	-56.79	385.77	8.51	-48.28
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)=CC2	REAL300008134164	0	43	-1.0	-46.09	372.05	6.05	-40.04
CC1(C)[C@@H]2C[C@H]1C(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)=CC2	REAL300008134164	1	42	-2.0	-97.88	369.59	5.67	-92.21
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C3=CC=CC=C31)=CC2	REAL300008134165	0	52	-1.0	-51.03	408.02	9.64	-41.39
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134166	0	53	-1.0	-54.46	422.72	8.08	-46.38
COC1=CC=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C(C(=O)[O-])=C1	REAL300008134167	0	50	-1.0	-51.08	391.05	7.57	-43.51
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)=CC2	REAL300008134168	0	45	-1.0	-54.30	368.37	5.62	-48.68
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)=CC2	REAL300008134169	0	43	-1.0	-44.05	355.87	3.64	-40.41
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300008134170	0	46	-1.0	-55.24	373.89	5.14	-50.10
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC3=CC=C(C(=O)[O-])C=C3C=C1)=CC2	REAL300008134171	0	52	-1.0	-51.56	418.20	9.66	-41.90
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)=CC2	REAL300008134172	0	46	-1.0	-52.12	360.92	6.43	-45.69
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)=CC2	REAL300008134173	0	49	-1.0	-53.80	379.44	7.08	-46.72
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)S1	REAL300008134174	0	46	-1.0	-49.17	383.58	7.13	-42.04
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC3=CC=CC=C3C=C1C(=O)[O-])=CC2	REAL300008134175	0	52	-1.0	-53.72	407.48	10.54	-43.18
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])=CC2	REAL300008134176	0	49	-1.0	-56.06	384.67	8.60	-47.46
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=C3C=CC=CN3C(C(=O)[O-])=N1)=CC2	REAL300008134177	0	49	-1.0	-65.86	398.75	6.03	-59.83
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=C3C=CC(C(=O)[O-])=CN3C=N1)=CC2	REAL300008134178	0	49	-1.0	-44.87	398.98	8.63	-36.24
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])=CC2	REAL300008134179	0	46	-1.0	-53.65	369.35	6.75	-46.90
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)N1CCCCC1C(=O)[O-])=CC2	REAL300008134180	0	51	-1.0	-47.27	382.57	7.52	-39.75
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)=CC2	REAL300008134181	0	43	-1.0	-44.05	355.87	3.64	-40.41
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])=CC2	REAL300008134182	0	48	-1.0	-57.95	372.67	6.56	-51.39
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=NNC=C1C(=O)[O-])=CC2	REAL300008134183	0	43	-1.0	-51.60	348.49	4.43	-47.17
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)=CC2	REAL300008134184	0	43	-1.0	-41.75	372.37	7.80	-33.95
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])=CC2	REAL300008134185	0	46	-1.0	-56.65	352.84	7.13	-49.52
CC1=CC(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)=CN=C1C(=O)[O-]	REAL300008134186	0	48	-1.0	-51.15	384.91	6.15	-45.00
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])=CC2	REAL300008134187	0	49	-1.0	-56.06	384.67	8.60	-47.46
CCOC1=CC=C(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C1C(=O)[O-]	REAL300008134188	0	53	-1.0	-59.64	421.46	8.38	-51.26
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C3CC(C(=O)[O-])CC3=C1)=CC2	REAL300008134189	0	53	-1.0	-48.72	416.87	9.28	-39.44
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-])=CC2	REAL300008134190	0	45	-1.0	-44.49	357.28	6.45	-38.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134191	0	37	-1.0	-56.34	316.31	3.95	-52.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134192	0	38	-1.0	-56.79	322.07	2.87	-53.92
CC1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1C(=O)[O-]	REAL300008134193	0	37	-1.0	-52.10	317.67	3.58	-48.52
O=C([O-])C1=C(S(=O)(=O)NCC2CC=CCO2)C=CS1	REAL300008134194	0	31	-1.0	-50.04	284.66	2.82	-47.22
O=C([O-])CN1C=C(S(=O)(=O)NCC2CC=CCO2)C=N1	REAL300008134195	0	34	-1.0	-52.59	306.18	1.18	-51.41
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC=CCO2)S1	REAL300008134196	0	31	-1.0	-47.73	293.92	2.17	-45.56
O=C([O-])C1CCCN(S(=O)(=O)NCC2CC=CCO2)C1	REAL300008134197	0	39	-1.0	-47.20	317.64	2.10	-45.10
O=C([O-])C1CCN(S(=O)(=O)NCC2CC=CCO2)CC1	REAL300008134198	0	39	-1.0	-49.03	318.17	2.13	-46.90
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134199	0	34	-1.0	-44.96	307.78	4.43	-40.53
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC=CCO2)O1	REAL300008134200	0	34	-1.0	-50.08	304.64	1.88	-48.20
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CC=CCO2)C=C1	REAL300008134201	0	37	-1.0	-60.52	325.42	3.77	-56.75
O=C([O-])C1CCN(S(=O)(=O)NCC2CC=CCO2)CC1	REAL300008134202	0	39	-1.0	-49.03	318.17	2.13	-46.90
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134203	0	37	-1.0	-58.08	325.34	3.75	-54.33
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1	REAL300008134204	0	38	-1.0	-49.37	332.71	3.33	-46.04
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134205	0	38	-1.0	-45.70	332.37	4.00	-41.70
O=C([O-])C1=CSC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134206	0	31	-1.0	-50.35	294.82	2.07	-48.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC=CCO2)=C1C	REAL300008134207	0	40	-1.0	-54.98	333.66	4.50	-50.48
CC1=CC=CC(S(=O)(=O)NCC2CC=CCO2)=C1C(=O)[O-]	REAL300008134208	0	37	-1.0	-55.52	318.58	4.08	-51.44
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134209	0	41	-1.0	-54.86	356.69	2.76	-52.10
O=C([O-])C1=CC(S(=O)(=O)NCC2CC=CCO2)=CS1	REAL300008134210	0	31	-1.0	-52.19	293.30	2.07	-50.12
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134211	0	37	-1.0	-43.38	330.00	4.92	-38.46
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134212	0	37	-1.0	-49.26	310.79	3.82	-45.44
O=C([O-])C1=C(S(=O)(=O)NCC2CC=CCO2)C2=CC=CC=C2S1	REAL300008134213	0	37	-1.0	-53.42	329.18	5.37	-48.05
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1	REAL300008134214	0	37	-1.0	-50.03	323.82	3.83	-46.20
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC=CCO2)C=C1[N+](=O)[O-]	REAL300008134215	0	39	-1.0	-42.11	339.77	4.08	-38.03
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134216	0	37	-1.0	-53.08	323.75	3.82	-49.26
CC1=C(S(=O)(=O)NCC2CC=CCO2)C=C(C(=O)[O-])O1	REAL300008134217	0	34	-1.0	-53.47	306.34	2.15	-51.32
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134218	0	30	-1.0	-54.23	279.09	1.31	-52.92
O=C([O-])C1=C(S(=O)(=O)NCC2CC=CCO2)SC=N1	REAL300008134219	0	30	-1.0	-57.23	283.11	0.76	-56.47
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134220	0	34	-1.0	-46.62	318.25	3.56	-43.06
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134221	0	34	-1.0	-46.62	322.81	3.66	-42.96
COC1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1C(=O)[O-]	REAL300008134222	0	38	-1.0	-59.58	328.94	3.11	-56.47
CC1=CC(S(=O)(=O)NCC2CC=CCO2)=CC=C1C(=O)[O-]	REAL300008134223	0	37	-1.0	-48.65	317.66	3.59	-45.06
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCC3CC=CCO3)C=CC=C12	REAL300008134224	0	39	-1.0	-52.64	334.35	3.46	-49.18
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134225	0	41	-1.0	-54.86	356.69	2.76	-52.10
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134226	0	34	-1.0	-46.62	318.25	3.56	-43.06
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134227	0	34	-1.0	-52.44	302.04	3.66	-48.78
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134228	0	37	-1.0	-48.91	329.96	4.38	-44.53
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3CC=CCO3)C=C21	REAL300008134229	0	40	-1.0	-51.94	348.47	4.39	-47.55
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CC=CCO2)C=C1	REAL300008134230	0	37	-1.0	-60.52	325.42	3.77	-56.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134231	0	38	-1.0	-56.79	322.07	2.87	-53.92
CC1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1C(=O)[O-]	REAL300008134232	0	37	-1.0	-52.10	317.67	3.58	-48.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134233	0	37	-1.0	-56.34	316.31	3.95	-52.39
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134234	0	38	-1.0	-47.42	326.03	3.15	-44.27
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134235	0	37	-1.0	-53.08	323.75	3.82	-49.26
COC1=C(S(=O)(=O)NCC2CC=CCO2)SC(C(=O)[O-])=C1	REAL300008134236	0	35	-1.0	-47.55	319.92	1.33	-46.22
CC1=C(Br)C=C(S(=O)(=O)NCC2CC=CCO2)C=C1C(=O)[O-]	REAL300008134237	0	37	-1.0	-50.32	339.39	4.21	-46.11
O=C([O-])C1CC2=CC(S(=O)(=O)NCC3CC=CCO3)=CC=C2O1	REAL300008134238	0	39	-1.0	-49.99	338.32	3.71	-46.28
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1C(F)(F)F	REAL300008134239	0	37	-1.0	-47.85	331.78	3.85	-44.00
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCC3CC=CCO3)C=C2)CC1	REAL300008134240	0	41	-1.0	-54.33	347.67	4.93	-49.40
CCC1=C(S(=O)(=O)NCC2CC=CCO2)C=C(C(=O)[O-])O1	REAL300008134241	0	37	-1.0	-52.99	325.98	2.95	-50.04
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134242	0	36	-1.0	-47.82	318.97	4.60	-43.22
O=C([O-])C1=CC2=CC(S(=O)(=O)NCC3CC=CCO3)=CC=C2S1	REAL300008134243	0	37	-1.0	-52.39	339.49	4.55	-47.84
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134244	0	36	-1.0	-40.58	319.12	4.58	-36.00
CC1=NC=C(S(=O)(=O)NCC2CC=CCO2)C=C1C(=O)[O-]	REAL300008134245	0	36	-1.0	-46.45	313.12	1.76	-44.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134246	0	38	-1.0	-49.58	321.93	2.88	-46.70
COC1=CC(S(=O)(=O)NCC2CC=CCO2)=CC=C1C(=O)[O-]	REAL300008134247	0	38	-1.0	-54.52	328.94	3.12	-51.40
COC1=CC=C(S(=O)(=O)NCC2CC=CCO2)C(CC(=O)[O-])=C1	REAL300008134248	0	41	-1.0	-59.08	343.24	3.58	-55.50
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1F	REAL300008134249	0	37	-1.0	-48.22	329.29	3.86	-44.36
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134250	0	37	-1.0	-47.08	340.67	4.05	-43.03
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1	REAL300008134251	0	43	-1.0	-47.73	356.56	4.73	-43.00
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134252	0	34	-1.0	-48.97	292.45	1.44	-47.53
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3CC=CCO3)C=CC=C12	REAL300008134253	0	40	-1.0	-51.07	337.89	5.26	-45.81
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134254	0	34	-1.0	-50.32	304.38	2.00	-48.32
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134255	0	34	-1.0	-44.84	312.35	4.54	-40.30
O=C([O-])C1=CC(S(=O)(=O)NCC2CC=CCO2)=CC=C1Cl	REAL300008134256	0	34	-1.0	-51.87	314.15	3.44	-48.43
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134257	0	38	-1.0	-49.84	320.33	3.23	-46.61
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC2CC=CCO2)=C1OC	REAL300008134258	0	46	-1.0	-51.28	380.47	4.16	-47.12
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134259	0	34	-1.0	-48.97	292.45	1.44	-47.53
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1C(=O)[O-]	REAL300008134260	0	36	-2.0	-133.98	328.51	4.00	-129.98
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134261	0	41	-1.0	-54.00	347.90	3.20	-50.80
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1CC=CCO1	REAL300008134262	0	37	-1.0	-58.30	315.40	4.20	-54.10
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134263	0	31	-1.0	-46.33	301.31	1.69	-44.64
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC=CCO2)=C1	REAL300008134263	1	30	-2.0	-97.61	299.15	1.31	-96.30
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC=CCO2)C2=CC=CC=C12	REAL300008134264	0	40	-1.0	-51.03	337.58	5.26	-45.77
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134265	0	41	-1.0	-56.27	342.63	3.74	-52.53
COC1=CC=C(S(=O)(=O)NCC2CC=CCO2)C(C(=O)[O-])=C1	REAL300008134266	0	38	-1.0	-54.55	320.21	3.23	-51.32
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134267	0	34	-1.0	-54.30	303.15	0.79	-53.51
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC3CC=CCO3)C=C2C=C1	REAL300008134268	0	40	-1.0	-53.02	347.56	5.31	-47.71
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC=CCO2)S1	REAL300008134269	0	34	-1.0	-51.28	311.60	2.74	-48.54
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134270	0	40	-1.0	-54.09	336.68	6.19	-47.90
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC2CC=CCO2)=C1	REAL300008134271	0	37	-1.0	-47.20	326.43	4.63	-42.57
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134272	0	37	-1.0	-58.20	313.76	4.26	-53.94
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC1CC=CCO1)=C2	REAL300008134273	0	34	-1.0	-49.22	331.23	3.64	-45.58
O=C([O-])C1=NC(S(=O)(=O)NCC2CC=CCO2)=C2C=CC=CN12	REAL300008134274	0	37	-1.0	-62.66	327.25	1.80	-60.86
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC3CC=CCO3)=C2C=C1	REAL300008134275	0	37	-1.0	-46.81	327.61	4.40	-42.41
O=C([O-])C1CCCCN1S(=O)(=O)NCC1CC=CCO1	REAL300008134276	0	39	-1.0	-52.87	308.60	3.11	-49.76
O=C([O-])C1=C(S(=O)(=O)NCC2CC=CCO2)C=C(Cl)S1	REAL300008134277	0	31	-1.0	-42.88	301.81	3.46	-39.42
CC1=CC(S(=O)(=O)NCC2CC=CCO2)=CN=C1C(=O)[O-]	REAL300008134278	0	36	-1.0	-51.92	314.33	1.80	-50.12
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CC=CCO1	REAL300008134279	0	37	-1.0	-58.20	313.76	4.26	-53.94
CCOC1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1C(=O)[O-]	REAL300008134280	0	41	-1.0	-58.70	350.77	4.02	-54.68
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3CC=CCO3)C=C2C1	REAL300008134281	0	41	-1.0	-48.54	345.71	4.92	-43.62
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC3CC=CCO3)C=C2C=C1	REAL300008134282	0	39	-1.0	-56.24	343.40	3.43	-52.81
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300008134283	0	39	-1.0	-47.93	324.21	5.72	-42.21
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300008134284	0	39	-1.0	-52.13	324.71	5.79	-46.34
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134285	0	42	-1.0	-55.65	339.81	6.65	-49.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134286	0	43	-1.0	-54.67	352.88	5.59	-49.08
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C1C(=O)[O-]	REAL300008134287	0	42	-1.0	-52.71	340.76	6.33	-46.38
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=C(C(=O)[O-])SC=C3)C[C@@H]21	REAL300008134288	0	36	-1.0	-45.91	308.41	5.52	-40.39
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300008134289	0	39	-1.0	-52.13	324.71	5.79	-46.34
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300008134290	0	39	-1.0	-47.93	324.21	5.72	-42.21
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3C(=O)[O-])C[C@@H]21	REAL300008134291	0	39	-1.0	-49.41	314.67	6.62	-42.79
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CN(CC(=O)[O-])N=C3)C[C@@H]21	REAL300008134292	0	39	-1.0	-50.94	329.35	3.91	-47.03
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])S3)C[C@@H]21	REAL300008134293	0	36	-1.0	-46.92	316.83	4.85	-42.07
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)N3CCCC(C(=O)[O-])C3)C[C@@H]21	REAL300008134294	0	44	-1.0	-47.10	340.29	4.75	-42.35
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)N3CCC(C(=O)[O-])CC3)C[C@@H]21	REAL300008134295	0	44	-1.0	-51.45	342.83	4.97	-46.48
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3C(=O)[O-])C[C@@H]21	REAL300008134296	0	39	-1.0	-49.41	314.67	6.62	-42.79
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(Cl)=CC=C3C(=O)[O-])C[C@@H]21	REAL300008134297	0	39	-1.0	-43.60	330.49	7.13	-36.47
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)O1	REAL300008134298	0	39	-1.0	-48.69	329.88	4.65	-44.04
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)N3CCCC3C(=O)[O-])C[C@@H]21	REAL300008134299	0	41	-1.0	-58.08	322.33	4.81	-53.27
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300008134300	0	42	-1.0	-56.42	347.43	6.45	-49.97
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)N3CCC(C(=O)[O-])CC3)C[C@@H]21	REAL300008134301	0	44	-1.0	-51.45	342.83	4.97	-46.48
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300008134302	0	42	-1.0	-58.26	347.42	6.44	-51.82
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C[C@@H]21	REAL300008134303	0	43	-1.0	-47.60	355.31	5.99	-41.61
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134304	0	43	-1.0	-44.60	364.06	6.72	-37.88
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(C(=O)[O-])=CS3)C[C@@H]21	REAL300008134305	0	36	-1.0	-48.48	317.97	4.76	-43.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=C1C	REAL300008134306	0	45	-1.0	-57.29	357.75	7.09	-50.20
CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=C1C(=O)[O-]	REAL300008134307	0	42	-1.0	-53.18	342.47	6.84	-46.34
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=C1	REAL300008134308	0	46	-1.0	-52.50	379.77	5.50	-47.00
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CSC(C(=O)[O-])=C3)C[C@@H]21	REAL300008134309	0	36	-1.0	-50.64	316.20	4.75	-45.89
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(C(F)(F)F)=CC=C3C(=O)[O-])C[C@@H]21	REAL300008134310	0	42	-1.0	-41.50	352.83	7.59	-33.91
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134311	0	42	-1.0	-48.84	333.66	6.52	-42.32
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=C(C(=O)[O-])SC4=CC=CC=C43)C[C@@H]21	REAL300008134312	0	42	-1.0	-51.99	352.34	8.09	-43.90
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C[C@@H]21	REAL300008134313	0	42	-1.0	-45.95	346.39	6.49	-39.46
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C1[N+](=O)[O-]	REAL300008134314	0	44	-1.0	-42.39	363.00	6.79	-35.60
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)C[C@@H]21	REAL300008134315	0	42	-1.0	-51.08	346.87	6.57	-44.51
CC1=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C(C(=O)[O-])O1	REAL300008134316	0	39	-1.0	-53.31	328.51	4.90	-48.41
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300008134317	0	38	-1.0	-46.44	319.88	3.99	-42.45
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CSN=C3C(=O)[O-])C[C@@H]21	REAL300008134318	0	35	-1.0	-49.76	302.74	4.00	-45.76
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=C(C(=O)[O-])N=CS3)C[C@@H]21	REAL300008134319	0	35	-1.0	-61.53	300.63	3.27	-58.26
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CN=C3C(=O)[O-])C[C@@H]21	REAL300008134320	0	38	-1.0	-52.64	311.40	4.79	-47.85
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)CCCCCC(=O)[O-])C[C@@H]21	REAL300008134321	0	44	-1.0	-52.37	353.21	5.90	-46.47
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)C[C@@H]21	REAL300008134322	0	38	-1.0	-50.80	320.58	4.00	-46.80
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300008134323	0	39	-1.0	-46.82	341.44	6.30	-40.52
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(Br)=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300008134324	0	39	-1.0	-46.77	346.00	6.40	-40.37
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C1C(=O)[O-]	REAL300008134325	0	43	-1.0	-58.93	351.99	5.86	-53.07
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=CC=C1C(=O)[O-]	REAL300008134326	0	42	-1.0	-47.82	340.70	6.34	-41.48
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=C(C(=O)[O-])N=CC=C34)C[C@@H]21	REAL300008134327	0	44	-1.0	-52.36	357.67	6.18	-46.18
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=C1	REAL300008134328	0	46	-1.0	-52.50	379.77	5.50	-47.00
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)C[C@@H]21	REAL300008134329	0	39	-1.0	-46.82	341.44	6.30	-40.52
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134330	0	39	-1.0	-47.49	324.60	6.39	-41.10
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134331	0	42	-1.0	-50.33	353.21	7.07	-43.26
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H]4[C@H](C3)C4(C)C)C=C21	REAL300008134332	0	45	-1.0	-50.75	371.65	7.13	-43.62
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300008134333	0	42	-1.0	-56.42	347.43	6.45	-49.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134334	0	43	-1.0	-54.67	352.88	5.59	-49.08
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C1C(=O)[O-]	REAL300008134335	0	42	-1.0	-52.71	340.76	6.33	-46.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134336	0	42	-1.0	-55.65	339.81	6.65	-49.00
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134337	0	43	-1.0	-45.46	359.44	5.79	-39.67
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)CC3(CC(=O)[O-])CC3)C[C@@H]21	REAL300008134338	0	42	-1.0	-51.19	333.74	5.54	-45.65
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)C[C@@H]21	REAL300008134339	0	42	-1.0	-51.08	346.87	6.57	-44.51
COC1=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)SC(C(=O)[O-])=C1	REAL300008134340	0	40	-1.0	-46.63	344.74	4.03	-42.60
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4OC(C(=O)[O-])CC4=C3)C[C@@H]21	REAL300008134341	0	44	-1.0	-49.45	361.02	6.38	-43.07
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)C[C@@H]21	REAL300008134342	0	42	-1.0	-47.03	354.79	6.60	-40.43
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)C[C@@H]21	REAL300008134343	0	46	-1.0	-49.91	369.55	7.65	-42.26
CCC1=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C(C(=O)[O-])O1	REAL300008134344	0	42	-1.0	-52.36	349.84	5.66	-46.70
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])C[C@@H]21	REAL300008134345	0	41	-1.0	-42.96	342.36	7.27	-35.69
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4SC(C(=O)[O-])=CC4=C3)C[C@@H]21	REAL300008134346	0	42	-1.0	-50.48	362.58	7.28	-43.20
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC([N+](=O)[O-])=CC=C3C(=O)[O-])C[C@@H]21	REAL300008134347	0	41	-1.0	-38.25	342.37	7.27	-30.98
CC1=NC=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C1C(=O)[O-]	REAL300008134348	0	41	-1.0	-46.81	336.16	4.51	-42.30
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134349	0	43	-1.0	-48.29	352.98	5.58	-42.71
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=CC=C1C(=O)[O-]	REAL300008134350	0	43	-1.0	-53.84	352.04	5.86	-47.98
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C(CC(=O)[O-])=C1	REAL300008134351	0	46	-1.0	-56.59	366.60	6.27	-50.32
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(CC(=O)[O-])C(F)=C3)C[C@@H]21	REAL300008134352	0	42	-1.0	-50.37	352.29	6.61	-43.76
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(F)(F)F)=C3)C[C@@H]21	REAL300008134353	0	42	-1.0	-46.38	363.41	6.78	-39.60
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C1	REAL300008134354	0	48	-1.0	-49.54	379.16	7.39	-42.15
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134355	0	39	-1.0	-51.43	315.77	4.07	-47.36
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)C[C@@H]21	REAL300008134356	0	45	-1.0	-49.98	361.45	7.96	-42.02
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=C1	REAL300008134357	0	39	-1.0	-50.29	328.01	4.73	-45.56
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(Br)=CC=C3C(=O)[O-])C[C@@H]21	REAL300008134358	0	39	-1.0	-43.48	335.05	7.24	-36.24
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)C[C@@H]21	REAL300008134359	0	39	-1.0	-50.11	337.22	6.18	-43.93
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=C1	REAL300008134360	0	43	-1.0	-48.37	343.18	5.94	-42.43
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=C1OC	REAL300008134361	0	51	-1.0	-49.57	413.79	6.89	-42.68
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134362	0	39	-1.0	-51.43	315.77	4.07	-47.36
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C[C@@H]21	REAL300008134363	0	41	-2.0	-138.30	351.33	6.73	-131.57
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134364	0	46	-1.0	-53.62	371.79	5.86	-47.76
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C[C@@H]21	REAL300008134365	0	38	-1.0	-47.97	320.90	3.91	-44.06
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)CC3=CC=CC=C3C(=O)[O-])C[C@@H]21	REAL300008134366	0	42	-1.0	-55.10	337.83	6.84	-48.26
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)C[C@@H]21	REAL300008134367	0	36	-1.0	-45.93	324.36	4.44	-41.49
CC1(C)[C@@H]2C[C@H]([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)C[C@@H]21	REAL300008134367	1	35	-2.0	-96.44	319.91	4.16	-92.28
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])C4=CC=CC=C43)C[C@@H]21	REAL300008134368	0	45	-1.0	-50.94	360.66	8.02	-42.92
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134369	0	46	-1.0	-54.31	374.73	6.51	-47.80
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C(C(=O)[O-])=C1	REAL300008134370	0	43	-1.0	-49.97	343.60	5.90	-44.07
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=NC(C(=O)[O-])=C3)C[C@@H]21	REAL300008134371	0	38	-1.0	-54.45	320.85	4.01	-50.44
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300008134372	0	39	-1.0	-54.08	325.53	3.53	-50.55
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=C(C(=O)[O-])C=C4C=C3)C[C@@H]21	REAL300008134373	0	45	-1.0	-51.15	369.97	7.96	-43.19
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@@H]21	REAL300008134374	0	42	-1.0	-52.32	329.38	5.39	-46.93
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)S1	REAL300008134375	0	39	-1.0	-48.46	334.87	5.42	-43.04
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4C=C3C(=O)[O-])C[C@@H]21	REAL300008134376	0	45	-1.0	-52.84	359.54	8.90	-43.94
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(F)(F)F)C[C@@H]21	REAL300008134377	0	42	-1.0	-45.80	349.79	7.30	-38.50
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3CC(=O)[O-])C[C@@H]21	REAL300008134378	0	42	-1.0	-55.65	336.92	7.18	-48.47
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)C[C@@H]21	REAL300008134379	0	39	-1.0	-47.47	354.52	6.33	-41.14
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=C4C=CC=CN4C(C(=O)[O-])=N3)C[C@@H]21	REAL300008134380	0	42	-1.0	-61.42	346.06	4.88	-56.54
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=C4C=CC(C(=O)[O-])=CN4C=N3)C[C@@H]21	REAL300008134381	0	42	-1.0	-44.94	350.94	7.11	-37.83
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)N3CCCCC3C(=O)[O-])C[C@@H]21	REAL300008134382	0	44	-1.0	-46.31	335.30	5.84	-40.47
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)N3CCC[C@H]3C(=O)[O-])C[C@@H]21	REAL300008134383	0	41	-1.0	-45.04	323.25	4.50	-40.54
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=C(C(=O)[O-])SC(Cl)=C3)C[C@@H]21	REAL300008134384	0	36	-1.0	-40.87	325.40	6.16	-34.71
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)=CN=C1C(=O)[O-]	REAL300008134385	0	41	-1.0	-50.91	337.39	4.54	-46.37
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3CC(=O)[O-])C[C@@H]21	REAL300008134386	0	42	-1.0	-55.65	336.92	7.18	-48.47
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C1C(=O)[O-]	REAL300008134387	0	46	-1.0	-59.35	373.84	6.77	-52.58
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)C[C@@H]21	REAL300008134388	0	46	-1.0	-51.64	370.14	7.67	-43.97
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CN=CC=C3C(=O)[O-])C[C@@H]21	REAL300008134389	0	38	-1.0	-43.99	309.49	4.86	-39.13
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC4=CC=C(C(=O)[O-])N=C4C=C3)C[C@@H]21	REAL300008134390	0	44	-1.0	-54.34	365.79	6.08	-48.26
CC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134391	0	37	-1.0	-59.78	315.79	4.40	-55.38
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134392	0	44	-1.0	-54.58	354.34	6.58	-48.00
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)S1)C1CCC1	REAL300008134393	0	29	-1.0	-41.17	292.19	3.85	-37.32
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134394	0	39	-1.0	-59.31	326.12	4.50	-54.81
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134395	0	35	-1.0	-40.92	315.33	5.66	-35.26
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C1CCC1	REAL300008134396	0	36	-1.0	-43.08	307.16	4.37	-38.71
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134397	0	38	-1.0	-59.85	335.84	1.54	-58.31
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C1CCC1	REAL300008134398	0	36	-1.0	-50.32	321.16	3.81	-46.51
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1OC	REAL300008134399	0	43	-1.0	-46.15	353.82	4.12	-42.03
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134400	0	35	-1.0	-40.13	310.66	5.55	-34.58
CN(C1CCCCC1)S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134401	0	43	-1.0	-54.09	334.82	4.50	-49.59
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134402	0	38	-1.0	-55.65	314.91	3.10	-52.55
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C1CCC1	REAL300008134403	0	48	-1.0	-44.20	382.92	8.04	-36.16
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1CCC1	REAL300008134404	0	38	-1.0	-54.77	320.14	3.15	-51.62
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1Br)C1CCC1	REAL300008134405	0	32	-1.0	-44.61	299.95	4.96	-39.65
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Br)=C1)C1CCC1	REAL300008134406	0	32	-1.0	-51.72	296.61	4.64	-47.08
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134407	0	37	-1.0	-59.48	309.69	6.43	-53.05
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1CCC1	REAL300008134408	0	38	-1.0	-55.45	342.23	6.14	-49.31
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134409	0	42	-1.0	-66.58	363.30	0.68	-65.90
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134410	0	43	-1.0	-53.20	358.26	5.83	-47.37
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134411	0	35	-1.0	-44.96	310.90	4.98	-39.98
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1CCC1	REAL300008134412	0	38	-1.0	-46.87	322.30	4.60	-42.27
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134413	0	39	-1.0	-55.31	330.21	3.75	-51.56
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300008134414	0	38	-1.0	-52.45	331.37	1.75	-50.70
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134415	0	41	-1.0	-67.97	360.64	2.20	-65.77
CS(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134416	0	37	-1.0	-70.95	329.23	0.17	-70.78
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C)=C1C	REAL300008134417	0	42	-1.0	-55.55	337.25	4.87	-50.68
O=C([O-])C(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C1CCC1	REAL300008134418	0	37	-1.0	-41.58	319.49	4.50	-37.08
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Br)C=C1)C1CCC1	REAL300008134419	0	35	-1.0	-56.49	320.09	5.36	-51.13
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1CCC1	REAL300008134420	0	37	-1.0	-57.44	316.72	4.38	-53.06
CS(=O)(=O)N1CCN(S(=O)(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300008134421	0	42	-1.0	-59.53	345.97	-0.39	-59.92
CN(C1CCOCC1)S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134422	0	41	-1.0	-53.53	324.07	2.10	-51.43
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=NN1C1=CC=CC=N1	REAL300008134423	0	41	-1.0	-50.46	351.69	5.40	-45.06
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1C	REAL300008134424	0	41	-1.0	-48.12	334.78	4.03	-44.09
CC(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300008134425	0	38	-1.0	-52.66	327.81	3.25	-49.41
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134426	0	41	-1.0	-51.71	347.60	5.22	-46.49
CC(C)N1C=NC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134427	0	38	-1.0	-50.56	324.65	4.51	-46.05
CC(C)C1=NC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CN1	REAL300008134428	0	38	-1.0	-53.87	316.30	3.35	-50.52
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134429	0	44	-1.0	-57.53	328.75	6.48	-51.05
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C1CCC1	REAL300008134430	0	45	-1.0	-50.36	380.27	6.96	-43.40
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134431	0	40	-1.0	-69.88	341.70	3.39	-66.49
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1OC	REAL300008134432	0	40	-1.0	-44.97	354.64	4.01	-40.96
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1Br	REAL300008134433	0	35	-1.0	-44.54	322.58	5.44	-39.10
CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134434	0	35	-1.0	-52.14	296.22	5.00	-47.14
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C1CCC1	REAL300008134435	0	38	-1.0	-43.19	331.79	6.79	-36.40
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C1CCC1	REAL300008134436	0	37	-1.0	-39.87	331.05	6.32	-33.55
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C1CCC1	REAL300008134437	0	36	-1.0	-44.56	326.55	3.87	-40.69
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C1CCC1	REAL300008134438	0	39	-1.0	-44.48	331.39	5.81	-38.67
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134439	0	47	-1.0	-48.77	369.69	5.12	-43.65
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1CCC1	REAL300008134440	0	35	-1.0	-53.99	307.79	4.86	-49.13
COCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134441	0	43	-1.0	-60.87	360.25	3.55	-57.32
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C=C1	REAL300008138001	0	49	-1.0	-59.12	397.28	7.32	-51.80
O=C([O-])C1CCN(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)CC1	REAL300008138002	0	51	-1.0	-46.86	389.91	5.65	-41.21
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138003	0	49	-1.0	-59.10	397.07	7.27	-51.83
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)O1	REAL300008138004	0	43	-1.0	-47.74	358.04	4.91	-42.83
O=C([O-])CCCS(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138005	0	45	-1.0	-53.13	359.51	5.22	-47.91
O=C([O-])C1=CSC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138006	0	43	-1.0	-50.74	366.67	5.61	-45.13
CC1=CC=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1C(=O)[O-]	REAL300008138007	0	49	-1.0	-57.26	390.53	7.72	-49.54
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=CS1	REAL300008138008	0	43	-1.0	-52.79	365.14	5.61	-47.18
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138009	0	49	-1.0	-50.08	382.61	7.33	-42.75
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C=C1	REAL300008138010	0	49	-1.0	-49.32	395.66	7.37	-41.95
O=C([O-])C1=COC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138011	0	43	-1.0	-49.28	358.28	4.65	-44.63
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138012	0	49	-1.0	-53.49	395.44	7.32	-46.17
CC1=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C=C(C(=O)[O-])O1	REAL300008138013	0	46	-1.0	-51.87	378.20	5.71	-46.16
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138014	0	45	-1.0	-48.14	368.66	4.78	-43.36
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138015	0	42	-1.0	-53.83	350.79	4.79	-49.04
O=C([O-])C1=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)SC=N1	REAL300008138016	0	42	-1.0	-58.26	354.84	4.26	-54.00
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138017	0	45	-1.0	-56.53	359.49	5.63	-50.90
O=C([O-])CCCCCS(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138018	0	51	-1.0	-54.61	402.50	6.79	-47.82
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C=N1	REAL300008138019	0	45	-1.0	-49.75	369.14	4.75	-45.00
CC1=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=CC=C1C(=O)[O-]	REAL300008138020	0	49	-1.0	-47.81	389.49	7.13	-40.68
CN(CCC(=O)[O-])S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138021	0	47	-1.0	-50.61	372.92	4.80	-45.81
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138022	0	46	-1.0	-54.79	373.40	7.05	-47.74
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C=C1	REAL300008138023	0	49	-1.0	-59.12	397.28	7.32	-51.80
CC1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C=C1C(=O)[O-]	REAL300008138024	0	49	-1.0	-56.01	393.35	7.19	-48.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138025	0	49	-1.0	-53.67	387.92	7.45	-46.22
O=C([O-])CC1(CS(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)CC1	REAL300008138026	0	49	-1.0	-50.56	383.84	6.48	-44.08
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138027	0	49	-1.0	-53.49	395.44	7.32	-46.17
CCC1=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C=C(C(=O)[O-])O1	REAL300008138028	0	49	-1.0	-51.62	398.07	6.52	-45.10
CC1=NC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C=C1C(=O)[O-]	REAL300008138029	0	48	-1.0	-45.03	384.93	5.30	-39.73
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138030	0	46	-1.0	-49.44	365.18	4.87	-44.57
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138031	0	46	-1.0	-49.09	376.21	5.54	-43.55
O=C([O-])C1=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)OC=C1	REAL300008138032	0	43	-1.0	-56.61	350.70	5.44	-51.17
O=C([O-])C1(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)CCC1	REAL300008138033	0	46	-1.0	-46.27	358.10	5.77	-40.50
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138034	0	43	-1.0	-55.28	349.60	3.62	-51.66
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138035	0	46	-1.0	-49.44	365.18	4.87	-44.57
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138036	0	45	-1.0	-48.89	369.50	4.66	-44.23
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138037	0	49	-1.0	-60.43	386.95	7.73	-52.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138038	0	43	-1.0	-45.73	372.94	5.19	-40.54
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138038	1	42	-2.0	-100.77	374.05	4.83	-95.94
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=CC=N1	REAL300008138039	0	45	-1.0	-56.55	369.55	4.79	-51.76
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=NN1	REAL300008138040	0	43	-1.0	-43.12	356.76	2.80	-40.32
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138041	0	46	-1.0	-53.05	375.00	4.33	-48.72
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C1	REAL300008138042	0	46	-1.0	-52.48	361.88	5.63	-46.85
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)C1	REAL300008138043	0	49	-1.0	-56.52	380.38	6.27	-50.25
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)S1	REAL300008138044	0	46	-1.0	-50.84	384.56	6.27	-44.57
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138045	0	49	-1.0	-60.45	385.84	7.69	-52.76
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138046	0	46	-1.0	-54.26	369.94	5.88	-48.38
O=C([O-])C1CCCCN1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138047	0	51	-1.0	-55.07	380.28	6.58	-48.49
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=NN1	REAL300008138048	0	43	-1.0	-43.12	356.76	2.80	-40.32
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138049	0	48	-1.0	-58.52	373.31	5.74	-52.78
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138050	0	43	-1.0	-55.28	349.60	3.62	-51.66
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138051	0	46	-1.0	-60.31	353.56	6.30	-54.01
CC1=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCCO2)=CN=C1C(=O)[O-]	REAL300008138052	0	48	-1.0	-51.25	385.96	5.30	-45.95
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138053	0	49	-1.0	-60.45	385.84	7.69	-52.76
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCCO1	REAL300008138054	0	45	-1.0	-47.23	358.11	5.62	-41.61
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2=C1	REAL300008138055	0	43	-1.0	-50.51	349.83	6.99	-43.52
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CC2=C1	REAL300008138056	0	43	-1.0	-57.58	349.78	7.02	-50.56
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CC2=C1	REAL300008138057	0	46	-1.0	-54.31	358.04	7.38	-46.93
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)CC2=C1	REAL300008138058	0	47	-1.0	-55.97	378.48	6.74	-49.23
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC2=C1	REAL300008138059	0	46	-1.0	-51.77	366.09	7.50	-44.27
COC1=CC=C2CC(C)N(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)CC2=C1	REAL300008138060	0	40	-1.0	-52.95	333.14	6.46	-46.49
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CC2=C1	REAL300008138061	0	43	-1.0	-57.58	349.78	7.02	-50.56
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2=C1	REAL300008138062	0	43	-1.0	-50.51	349.83	6.99	-43.52
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CC2=C1	REAL300008138063	0	43	-1.0	-57.28	335.27	7.21	-50.07
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)CC2=C1	REAL300008138064	0	41	-1.0	-53.70	337.57	4.63	-49.07
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CN(CC(=O)[O-])N=C3)CC2=C1	REAL300008138065	0	43	-1.0	-53.16	354.83	5.12	-48.04
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)CC2=C1	REAL300008138066	0	40	-1.0	-49.37	342.74	6.15	-43.22
COC1=CC=C2CC(C)N(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2=C1	REAL300008138067	0	40	-1.0	-55.99	324.99	4.02	-51.97
COC1=CC=C2CC(C)N(S(=O)(=O)N3CCCC(C(=O)[O-])C3)CC2=C1	REAL300008138068	0	48	-1.0	-47.94	365.65	5.98	-41.96
COC1=CC=C2CC(C)N(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2=C1	REAL300008138069	0	48	-1.0	-48.21	365.68	6.03	-42.18
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CC2=C1	REAL300008138070	0	43	-1.0	-57.28	335.27	7.21	-50.07
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(Cl)=CC=C3C(=O)[O-])CC2=C1	REAL300008138071	0	43	-1.0	-50.09	352.67	7.73	-42.36
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2=C1	REAL300008138072	0	40	-1.0	-52.66	333.78	5.34	-47.32
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)CC2=C1	REAL300008138073	0	43	-1.0	-51.89	354.28	5.99	-45.90
COC1=CC=C2CC(C)N(S(=O)(=O)CCCC(=O)[O-])CC2=C1	REAL300008138074	0	42	-1.0	-52.16	338.80	5.77	-46.39
COC1=CC=C2CC(C)N(S(=O)(=O)N3CCCC3C(=O)[O-])CC2=C1	REAL300008138075	0	45	-1.0	-59.94	350.33	5.75	-54.19
COC1=CC=C2CC(C)N(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2=C1	REAL300008138076	0	46	-1.0	-57.35	376.55	7.86	-49.49
COC1=CC=C2CC(C)N(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2=C1	REAL300008138077	0	48	-1.0	-48.21	365.68	6.03	-42.18
COC1=CC=C2CC(C)N(S(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2=C1	REAL300008138078	0	46	-1.0	-61.84	376.53	7.84	-54.00
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2=C1	REAL300008138079	0	40	-1.0	-52.66	333.78	5.34	-47.32
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2=C1	REAL300008138080	0	47	-1.0	-49.58	380.84	7.27	-42.31
COC1=CC=C2CC(C)N(S(=O)(=O)CCCC(=O)[O-])CC2=C1	REAL300008138081	0	42	-1.0	-52.16	338.80	5.77	-46.39
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2=C1	REAL300008138082	0	40	-1.0	-53.99	343.65	6.06	-47.93
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)CC2=C1	REAL300008138083	0	49	-1.0	-57.86	376.65	8.01	-49.85
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC(C)=C3C(=O)[O-])CC2=C1	REAL300008138084	0	46	-1.0	-62.25	359.82	7.91	-54.34
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)CC2=C1	REAL300008138085	0	40	-1.0	-55.07	341.48	6.08	-48.99
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)CC2=C1	REAL300008138086	0	46	-1.0	-51.72	354.29	7.34	-44.38
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2=C1	REAL300008138087	0	46	-1.0	-50.30	372.02	7.77	-42.53
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CC2=C1	REAL300008138088	0	40	-1.0	-50.10	333.99	5.08	-45.02
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2=C1	REAL300008138089	0	46	-1.0	-51.89	371.93	7.75	-44.14
COC1=CC=C2CC(C)N(S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)CC2=C1	REAL300008138090	0	43	-1.0	-52.63	352.88	6.11	-46.52
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)CC2=C1	REAL300008138091	0	42	-1.0	-47.38	344.91	5.18	-42.20
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CSN=C3C(=O)[O-])CC2=C1	REAL300008138092	0	39	-1.0	-58.59	326.72	4.87	-53.72
COC1=CC=C2CC(C)N(S(=O)(=O)C3=C(C(=O)[O-])N=CS3)CC2=C1	REAL300008138093	0	39	-1.0	-66.20	331.77	4.78	-61.42
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CN=C3C(=O)[O-])CC2=C1	REAL300008138094	0	42	-1.0	-61.37	330.49	5.36	-56.01
COC1=CC=C2CC(C)N(S(=O)(=O)CCCCCC(=O)[O-])CC2=C1	REAL300008138095	0	48	-1.0	-53.05	381.79	7.33	-45.72
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)CC2=C1	REAL300008138096	0	42	-1.0	-52.57	344.73	5.19	-47.38
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CC2=C1	REAL300008138097	0	43	-1.0	-47.57	366.59	7.52	-40.05
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)CC2=C1	REAL300008138098	0	47	-1.0	-62.68	377.56	7.04	-55.64
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)CC2=C1	REAL300008138099	0	46	-1.0	-49.85	365.63	7.56	-42.29
COC1=CC=C2CC(C)N(S(=O)(=O)N(C)CCC(=O)[O-])CC2=C1	REAL300008138100	0	44	-1.0	-47.52	346.81	5.21	-42.31
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CC2=C1	REAL300008138101	0	43	-1.0	-47.57	366.59	7.52	-40.05
COC1=CC=C2CC(C)N(S(=O)(=O)C3=C(C(=O)[O-])SC=C3C)CC2=C1	REAL300008138102	0	43	-1.0	-54.59	339.34	6.94	-47.65
COC1=CC=C2CC(C)N(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2=C1	REAL300008138103	0	46	-1.0	-57.35	376.55	7.86	-49.49
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)CC2=C1	REAL300008138104	0	47	-1.0	-55.97	378.48	6.74	-49.23
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC2=C1	REAL300008138105	0	46	-1.0	-51.77	366.09	7.50	-44.27
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CC2=C1	REAL300008138106	0	46	-1.0	-54.31	358.04	7.38	-46.93
COC1=CC=C2CC(C)N(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2=C1	REAL300008138107	0	46	-1.0	-53.11	362.69	6.99	-46.12
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2=C1	REAL300008138108	0	46	-1.0	-51.89	371.93	7.75	-44.14
COC1=C(S(=O)(=O)N2CC3=CC(OC)=CC=C3CC2C)SC(C(=O)[O-])=C1	REAL300008138109	0	44	-1.0	-50.11	367.05	5.76	-44.35
CCC1=C(S(=O)(=O)N2CC3=CC(OC)=CC=C3CC2C)C=C(C(=O)[O-])O1	REAL300008138110	0	46	-1.0	-52.36	370.61	6.70	-45.66
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CN=C(C)C(C(=O)[O-])=C3)CC2=C1	REAL300008138111	0	45	-1.0	-46.92	361.29	5.71	-41.21
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3OC)CC2=C1	REAL300008138112	0	47	-1.0	-50.29	378.50	6.74	-43.55
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(C(=O)[O-])C(OC)=C3)CC2=C1	REAL300008138113	0	47	-1.0	-56.16	377.11	7.07	-49.09
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(CC(=O)[O-])C(F)=C3)CC2=C1	REAL300008138114	0	46	-1.0	-52.58	376.59	7.82	-44.76
COC1=CC=C2CC(C)N(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CC2=C1	REAL300008138115	0	43	-1.0	-57.36	339.65	5.32	-52.04
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C)=C(C(=O)[O-])O3)CC2=C1	REAL300008138116	0	43	-1.0	-55.00	352.82	6.00	-49.00
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)CC2=C1	REAL300008138117	0	43	-1.0	-54.64	362.80	7.37	-47.27
COC1=CC=C2CC(C)N(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CC2=C1	REAL300008138118	0	40	-1.0	-58.53	327.87	5.94	-52.59
COC1=CC=C2CC(C)N(S(=O)(=O)C3(C(=O)[O-])CCC3)CC2=C1	REAL300008138119	0	43	-1.0	-48.00	324.40	5.72	-42.28
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(OC)=CC=C3C(=O)[O-])CC2=C1	REAL300008138120	0	47	-1.0	-54.89	365.35	6.52	-48.37
COC1=CC=C2CC(C)N(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2=C1	REAL300008138121	0	40	-1.0	-55.99	324.99	4.02	-51.97
COC1=CC=C2CC(C)N(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CC2=C1	REAL300008138122	0	43	-1.0	-57.36	339.65	5.32	-52.04
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CC2=C1	REAL300008138123	0	42	-1.0	-51.50	347.89	5.64	-45.86
COC1=CC=C2CC(C)N(S(=O)(=O)CC3=CC=CC=C3C(=O)[O-])CC2=C1	REAL300008138124	0	46	-1.0	-56.82	372.25	7.71	-49.11
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CC2=C1	REAL300008138125	0	40	-1.0	-47.69	349.77	5.68	-42.01
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=C(OC)C=C3C(=O)[O-])CC2=C1	REAL300008138126	0	47	-1.0	-57.72	365.39	6.52	-51.20
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=NC(C(=O)[O-])=C3)CC2=C1	REAL300008138127	0	42	-1.0	-57.99	344.92	5.20	-52.79
COC1=CC=C2CC(C)N(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CC2=C1	REAL300008138128	0	40	-1.0	-45.70	334.70	3.54	-42.16
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=NN3C)CC2=C1	REAL300008138129	0	43	-1.0	-55.91	351.76	4.80	-51.11
COC1=CC=C2CC(C)N(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2=C1	REAL300008138130	0	43	-1.0	-54.80	343.65	6.27	-48.53
COC1=CC=C2CC(C)N(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2=C1	REAL300008138131	0	46	-1.0	-56.68	358.68	6.78	-49.90
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)S3)CC2=C1	REAL300008138132	0	43	-1.0	-54.16	360.46	6.71	-47.45
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CC2=C1	REAL300008138133	0	46	-1.0	-63.14	359.25	7.60	-55.54
COC1=CC=C2CC(C)N(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])CC2=C1	REAL300008138134	0	43	-1.0	-56.44	348.34	6.42	-50.02
COC1=CC=C2CC(C)N(S(=O)(=O)N3CCCCC3C(=O)[O-])CC2=C1	REAL300008138135	0	48	-1.0	-58.87	353.81	6.56	-52.31
COC1=CC=C2CC(C)N(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CC2=C1	REAL300008138136	0	40	-1.0	-45.70	334.70	3.54	-42.16
COC1=CC=C2CC(C)N(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CC2=C1	REAL300008138137	0	45	-1.0	-59.29	348.46	6.04	-53.25
COC1=CC=C2CC(C)N(S(=O)(=O)C3=NNC=C3C(=O)[O-])CC2=C1	REAL300008138138	0	40	-1.0	-55.99	324.99	4.02	-51.97
COC1=CC=C2CC(C)N(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2=C1	REAL300008138139	0	43	-1.0	-57.92	329.33	6.60	-51.32
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CN=C(C(=O)[O-])C(C)=C3)CC2=C1	REAL300008138140	0	45	-1.0	-52.32	362.54	5.73	-46.59
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CC2=C1	REAL300008138141	0	46	-1.0	-63.14	359.25	7.60	-55.54
COC1=CC=C2CC(C)N(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])CC2=C1	REAL300008138142	0	42	-1.0	-50.74	330.79	5.33	-45.41
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008138143	0	39	-1.0	-47.90	319.92	4.72	-43.18
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008138144	0	39	-1.0	-51.99	319.87	4.71	-47.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138145	0	42	-1.0	-55.33	330.90	5.23	-50.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138146	0	43	-1.0	-53.90	349.28	4.55	-49.35
CC1=CC=C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)C=C1C(=O)[O-]	REAL300008138147	0	42	-1.0	-50.21	335.87	5.22	-44.99
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008138148	0	36	-1.0	-43.92	300.44	4.01	-39.91
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008138149	0	39	-1.0	-51.99	319.87	4.71	-47.28
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008138150	0	39	-1.0	-47.90	319.92	4.72	-43.18
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008138151	0	39	-1.0	-47.27	306.66	4.96	-42.31
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008138152	0	37	-1.0	-50.01	309.26	2.44	-47.57
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008138153	0	39	-1.0	-50.30	324.97	2.81	-47.49
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008138154	0	36	-1.0	-46.39	312.25	3.83	-42.56
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008138155	0	36	-1.0	-54.32	300.92	1.74	-52.58
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008138156	0	44	-1.0	-47.23	338.20	3.83	-43.40
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008138157	0	44	-1.0	-46.70	335.96	3.75	-42.95
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008138158	0	39	-1.0	-47.27	306.66	4.96	-42.31
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008138159	0	36	-1.0	-49.16	307.44	3.24	-45.92
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)O1	REAL300008138160	0	39	-1.0	-48.91	323.27	3.57	-45.34
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300008138161	0	38	-1.0	-49.37	308.68	3.44	-45.93
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008138162	0	41	-1.0	-54.67	319.73	3.88	-50.79
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008138163	0	42	-1.0	-55.23	346.53	5.55	-49.68
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008138164	0	44	-1.0	-46.70	335.96	3.75	-42.95
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008138165	0	42	-1.0	-57.17	346.46	5.52	-51.65
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008138166	0	36	-1.0	-49.16	307.44	3.24	-45.92
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008138167	0	43	-1.0	-47.49	350.95	4.97	-42.52
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300008138168	0	38	-1.0	-49.37	308.68	3.44	-45.93
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008138169	0	36	-1.0	-48.81	313.23	3.73	-45.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)=C1C	REAL300008138170	0	45	-1.0	-56.61	348.65	5.80	-50.81
CC1=CC=CC(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)=C1C(=O)[O-]	REAL300008138171	0	42	-1.0	-50.56	331.08	5.65	-44.91
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008138172	0	36	-1.0	-49.29	311.95	3.76	-45.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138173	0	42	-1.0	-49.64	329.19	5.19	-44.45
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008138174	0	42	-1.0	-47.64	342.05	5.47	-42.17
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008138175	0	36	-1.0	-48.38	305.28	2.84	-45.54
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008138176	0	42	-1.0	-50.45	342.03	5.48	-44.97
CC1=C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)C=C(C(=O)[O-])O1	REAL300008138177	0	39	-1.0	-52.89	325.93	3.93	-48.96
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008138178	0	38	-1.0	-46.39	315.30	2.90	-43.49
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008138179	0	35	-1.0	-45.45	291.26	2.31	-43.14
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008138180	0	35	-1.0	-50.00	296.51	2.27	-47.73
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008138181	0	38	-1.0	-50.51	304.64	3.35	-47.16
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)CCCCCC(=O)[O-]	REAL300008138182	0	44	-1.0	-50.83	351.68	5.00	-45.83
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008138183	0	38	-1.0	-49.85	316.00	2.90	-46.95
COC1=CC=C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)C=C1C(=O)[O-]	REAL300008138184	0	43	-1.0	-57.69	347.43	4.78	-52.91
CC1=CC(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)=CC=C1C(=O)[O-]	REAL300008138185	0	42	-1.0	-47.36	336.10	5.24	-42.12
CN(CCC(=O)[O-])S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138186	0	40	-1.0	-45.68	319.63	2.89	-42.79
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138187	0	39	-1.0	-44.85	312.16	4.76	-40.09
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008138188	0	42	-1.0	-55.23	346.53	5.55	-49.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138189	0	43	-1.0	-53.90	349.28	4.55	-49.35
CC1=CC=C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)C=C1C(=O)[O-]	REAL300008138190	0	42	-1.0	-50.21	335.87	5.22	-44.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138191	0	42	-1.0	-55.33	330.90	5.23	-50.10
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008138192	0	42	-1.0	-46.27	332.71	4.65	-41.62
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008138193	0	42	-1.0	-50.45	342.03	5.48	-44.97
CCC1=C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)C=C(C(=O)[O-])O1	REAL300008138194	0	42	-1.0	-51.91	337.36	4.17	-47.74
CC1=NC=C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)C=C1C(=O)[O-]	REAL300008138195	0	41	-1.0	-45.82	331.48	3.43	-42.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138196	0	43	-1.0	-47.92	349.28	4.55	-43.37
COC1=CC(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)=CC=C1C(=O)[O-]	REAL300008138197	0	43	-1.0	-53.31	347.40	4.78	-48.53
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008138198	0	42	-1.0	-47.72	347.77	5.53	-42.19
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138199	0	39	-1.0	-45.99	309.20	2.90	-43.09
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)=C1	REAL300008138200	0	39	-1.0	-49.23	322.98	3.69	-45.54
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008138201	0	36	-1.0	-46.86	295.05	3.32	-43.54
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008138202	0	39	-1.0	-37.11	292.14	3.36	-33.75
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)=C1	REAL300008138203	0	43	-1.0	-45.68	335.97	4.27	-41.41
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008138204	0	36	-1.0	-54.32	300.92	1.74	-52.58
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138205	0	39	-1.0	-45.99	309.20	2.90	-43.09
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008138206	0	38	-1.0	-46.97	316.07	2.82	-44.15
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008138207	0	42	-1.0	-53.03	336.38	5.96	-47.07
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008138208	0	36	-1.0	-45.21	322.10	3.56	-41.65
COC1=CC=C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)C(C(=O)[O-])=C1	REAL300008138209	0	43	-1.0	-48.48	336.01	4.25	-44.23
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008138210	0	38	-1.0	-54.50	316.27	2.92	-51.58
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008138211	0	36	-1.0	-43.20	303.65	1.26	-41.94
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(C(F)(F)F)C1(C)C	REAL300008138212	0	39	-1.0	-54.40	319.45	2.16	-52.24
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008138213	0	39	-1.0	-50.31	313.16	3.92	-46.39
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008138214	0	42	-1.0	-52.00	329.72	4.49	-47.51
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)S1	REAL300008138215	0	39	-1.0	-48.94	331.29	4.43	-44.51
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008138216	0	42	-1.0	-54.15	329.56	5.49	-48.66
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008138217	0	39	-1.0	-51.94	319.42	4.15	-47.79
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008138218	0	44	-1.0	-45.93	317.47	3.95	-41.98
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008138219	0	36	-1.0	-43.20	303.65	1.26	-41.94
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008138220	0	41	-1.0	-54.90	319.40	3.84	-51.06
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008138221	0	36	-1.0	-54.32	300.92	1.74	-52.58
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008138222	0	39	-1.0	-55.47	301.69	4.38	-51.09
CC1=CC(S(=O)(=O)N2CCOC(C(F)(F)F)C2(C)C)=CN=C1C(=O)[O-]	REAL300008138223	0	41	-1.0	-50.24	333.06	3.48	-46.76
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008138224	0	42	-1.0	-54.15	329.56	5.49	-48.66
CC1(C)C(C(F)(F)F)OCCN1S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008138225	0	38	-1.0	-39.06	296.62	2.84	-36.22
CN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300008138226	0	33	-1.0	-51.62	312.94	4.43	-47.19
CCS(=O)(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300008138227	0	31	-1.0	-53.79	302.83	4.88	-48.91
CS(=O)(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300008138228	0	28	-1.0	-46.52	274.99	3.54	-42.98
CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300008138229	0	34	-1.0	-53.67	324.33	5.67	-48.00
CCS(=O)(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300008138230	0	31	-1.0	-53.79	302.83	4.88	-48.91
O=C([O-])C[C@H](NS(=O)(=O)C1CC1)C1=CC=CC(I)=C1	REAL300008138231	0	32	-1.0	-46.54	305.99	5.31	-41.23
CC1=C2OC(CNS(=O)(=O)CCCC(=O)[O-])=CC2=CC(Br)=C1	REAL300008138232	0	37	-1.0	-55.20	351.26	5.49	-49.71
CC1=C2OC(CNS(=O)(=O)CCCC(=O)[O-])=CC2=CC(Br)=C1	REAL300008138233	0	37	-1.0	-55.20	351.26	5.49	-49.71
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C=C1	REAL300008138234	0	36	-1.0	-49.91	343.45	8.10	-41.81
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=C1	REAL300008138235	0	36	-1.0	-52.91	343.40	8.09	-44.82
O=C([O-])C1=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C=CS1	REAL300008138236	0	33	-1.0	-56.03	327.00	7.68	-48.35
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=C1	REAL300008138237	0	36	-1.0	-52.91	343.40	8.09	-44.82
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C=C1	REAL300008138238	0	36	-1.0	-49.91	343.45	8.10	-41.81
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138239	0	36	-1.0	-60.28	332.19	8.98	-51.30
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=CN1	REAL300008138240	0	34	-1.0	-50.09	331.54	5.83	-44.26
O=C([O-])CN1C=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C=N1	REAL300008138241	0	36	-1.0	-51.59	347.99	6.21	-45.38
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)S1	REAL300008138242	0	33	-1.0	-46.75	335.32	7.23	-39.52
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138243	0	33	-1.0	-49.00	316.15	4.99	-44.01
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C1	REAL300008138244	0	41	-1.0	-48.68	360.82	7.24	-41.44
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)CC1	REAL300008138245	0	41	-1.0	-48.24	358.19	7.11	-41.13
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138246	0	36	-1.0	-60.28	332.19	8.98	-51.30
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)O1	REAL300008138247	0	33	-1.0	-48.50	327.80	6.47	-42.03
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)O1	REAL300008138248	0	36	-1.0	-47.86	347.64	6.98	-40.88
O=C([O-])CCCS(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138249	0	35	-1.0	-49.88	329.48	6.72	-43.16
O=C([O-])C1CCCN1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138250	0	38	-1.0	-58.23	344.12	7.09	-51.14
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)CC1	REAL300008138251	0	41	-1.0	-48.24	358.19	7.11	-41.13
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)O1	REAL300008138252	0	33	-1.0	-48.50	327.80	6.47	-42.03
O=C([O-])CCCS(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138253	0	35	-1.0	-49.88	329.48	6.72	-43.16
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=C1	REAL300008138254	0	33	-1.0	-48.09	336.21	7.13	-40.96
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=CS1	REAL300008138255	0	33	-1.0	-51.61	335.05	7.11	-44.50
O=C([O-])C1=COC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=C1	REAL300008138256	0	33	-1.0	-49.63	328.43	6.20	-43.43
CC1=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C=C(C(=O)[O-])O1	REAL300008138257	0	36	-1.0	-53.27	339.59	6.99	-46.28
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=C1	REAL300008138258	0	35	-1.0	-47.28	338.56	6.28	-41.00
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138259	0	32	-1.0	-59.20	323.29	6.23	-52.97
O=C([O-])C1=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)SC=N1	REAL300008138260	0	32	-1.0	-63.94	325.44	5.91	-58.03
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138261	0	35	-1.0	-68.00	332.19	7.52	-60.48
O=C([O-])CCCCCS(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138262	0	41	-1.0	-51.10	372.48	8.29	-42.81
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C=N1	REAL300008138263	0	35	-1.0	-52.23	339.28	6.30	-45.93
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138264	0	37	-1.0	-47.42	343.47	6.26	-41.16
O=C([O-])CC1(CS(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)CC1	REAL300008138265	0	39	-1.0	-50.00	354.08	7.96	-42.04
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138266	0	36	-1.0	-49.38	333.31	6.39	-42.99
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=C1	REAL300008138267	0	36	-1.0	-49.46	345.77	7.05	-42.41
O=C([O-])C1=C(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)OC=C1	REAL300008138268	0	33	-1.0	-57.45	324.75	6.51	-50.94
O=C([O-])C1(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)CCC1	REAL300008138269	0	36	-1.0	-40.49	321.25	6.91	-33.58
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138270	0	33	-1.0	-49.00	316.15	4.99	-44.01
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138271	0	36	-1.0	-49.38	333.31	6.39	-42.99
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=C1	REAL300008138272	0	35	-1.0	-47.47	339.64	6.20	-41.27
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=CC=N1	REAL300008138273	0	35	-1.0	-54.04	339.09	6.32	-47.72
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=NN1	REAL300008138274	0	33	-1.0	-42.35	326.52	4.36	-37.99
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138275	0	36	-1.0	-51.73	345.88	5.81	-45.92
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C1	REAL300008138276	0	36	-1.0	-52.16	333.61	7.25	-44.91
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C1	REAL300008138277	0	39	-1.0	-54.55	350.22	7.83	-46.72
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138278	0	36	-1.0	-54.22	339.67	7.44	-46.78
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138279	0	41	-1.0	-48.17	343.80	7.78	-40.39
O=C([O-])C1=CC(S(=O)(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)=NN1	REAL300008138280	0	33	-1.0	-42.35	326.52	4.36	-37.99
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138281	0	38	-1.0	-58.12	344.86	6.93	-51.19
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138282	0	33	-1.0	-49.00	316.15	4.99	-44.01
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138283	0	36	-1.0	-53.59	322.69	7.77	-45.82
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300008138284	0	35	-1.0	-56.83	330.87	7.43	-49.40
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300008138285	0	35	-1.0	-49.95	325.50	6.75	-43.20
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008138286	0	35	-1.0	-53.96	325.52	6.74	-47.22
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300008138287	0	38	-1.0	-60.29	329.55	7.06	-53.23
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC(C)=CS1	REAL300008138288	0	39	-1.0	-59.60	346.73	6.57	-53.03
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300008138289	0	38	-1.0	-53.68	337.93	7.07	-46.61
CC1=CSC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])SC=C2)=C1	REAL300008138290	0	32	-1.0	-46.60	301.59	5.98	-40.62
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008138291	0	35	-1.0	-53.96	325.52	6.74	-47.22
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300008138292	0	35	-1.0	-49.95	325.50	6.75	-43.20
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC=C2C(=O)[O-])=C1	REAL300008138293	0	35	-1.0	-67.61	316.28	7.95	-59.66
CC1=CSC(CN(C)S(=O)(=O)C2=CNC(C(=O)[O-])=C2)=C1	REAL300008138294	0	33	-1.0	-52.04	314.07	4.47	-47.57
CC1=CSC(CN(C)S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=C1	REAL300008138295	0	35	-1.0	-53.48	330.07	4.87	-48.61
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300008138296	0	32	-1.0	-48.85	310.73	5.57	-43.28
CC1=CSC(CN(C)S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300008138297	0	32	-1.0	-52.93	297.93	3.64	-49.29
CC1=CSC(CN(C)S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300008138298	0	40	-1.0	-49.34	343.28	5.85	-43.49
CC1=CSC(CN(C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300008138299	0	40	-1.0	-47.34	344.52	5.92	-41.42
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC=C2C(=O)[O-])=C1	REAL300008138300	0	35	-1.0	-67.61	316.28	7.95	-59.66
CC1=CSC(CN(C)S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=C1	REAL300008138301	0	35	-1.0	-60.22	333.18	8.29	-51.93
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300008138302	0	32	-1.0	-49.68	303.99	4.96	-44.72
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=C1	REAL300008138303	0	35	-1.0	-50.02	324.25	5.48	-44.54
CC1=CSC(CN(C)S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300008138304	0	37	-1.0	-62.70	325.45	5.79	-56.91
CC1=CSC(CN(C)S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300008138305	0	38	-1.0	-54.35	346.22	7.36	-46.99
CC1=CSC(CN(C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300008138306	0	40	-1.0	-47.34	344.52	5.92	-41.42
CC1=CSC(CN(C)S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008138307	0	38	-1.0	-62.14	348.03	7.52	-54.62
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300008138308	0	32	-1.0	-49.68	303.99	4.96	-44.72
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300008138309	0	39	-1.0	-49.78	356.59	7.03	-42.75
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)CC1=CC(C)=CS1	REAL300008138310	0	39	-1.0	-45.70	358.61	7.69	-38.01
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300008138311	0	32	-1.0	-50.06	311.88	5.48	-44.58
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300008138312	0	41	-1.0	-57.92	348.27	7.74	-50.18
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300008138313	0	38	-1.0	-54.67	333.10	7.78	-46.89
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2=CC(C)=CS2)=C1	REAL300008138314	0	42	-1.0	-55.15	381.30	6.44	-48.71
CC1=CSC(CN(C)S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300008138315	0	32	-1.0	-52.22	317.20	5.77	-46.45
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])=C1	REAL300008138316	0	38	-1.0	-56.79	355.04	8.96	-47.83
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300008138317	0	38	-1.0	-49.28	326.54	7.05	-42.23
CC1=CSC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=C1	REAL300008138318	0	38	-1.0	-66.02	343.25	9.19	-56.83
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300008138319	0	38	-1.0	-50.88	347.69	7.53	-43.35
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=C1	REAL300008138320	0	40	-1.0	-41.23	348.42	7.23	-34.00
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=C1	REAL300008138321	0	32	-1.0	-48.66	308.88	4.89	-43.77
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300008138322	0	38	-1.0	-53.89	347.68	7.51	-46.38
CC1=CSC(CN(C)S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300008138323	0	35	-1.0	-54.69	321.38	5.70	-48.99
CC1=CSC(CN(C)S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=C1	REAL300008138324	0	34	-1.0	-47.73	320.12	4.98	-42.75
CC1=CSC(CN(C)S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300008138325	0	31	-1.0	-66.74	306.93	4.93	-61.81
CC1=CSC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=C1	REAL300008138326	0	31	-1.0	-55.03	293.17	3.92	-51.11
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CN=C2C(=O)[O-])=C1	REAL300008138327	0	34	-1.0	-70.84	313.80	5.95	-64.89
CC1=CSC(CN(C)S(=O)(=O)CCCCCC(=O)[O-])=C1	REAL300008138328	0	40	-1.0	-50.60	351.45	6.82	-43.78
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=C1	REAL300008138329	0	34	-1.0	-50.53	314.17	4.56	-45.97
CC1=CSC(CN(C)S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300008138330	0	35	-1.0	-47.17	328.34	6.71	-40.46
COC1=CC=C(S(=O)(=O)N(C)CC2=CC(C)=CS2)C=C1C(=O)[O-]	REAL300008138331	0	39	-1.0	-57.66	345.12	6.50	-51.16
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300008138332	0	38	-1.0	-49.47	341.52	7.28	-42.19
CC1=CSC(CN(C)S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300008138333	0	36	-1.0	-48.98	324.35	4.95	-44.03
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)=C1	REAL300008138334	0	40	-1.0	-57.98	357.56	7.19	-50.79
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2=CC(C)=CS2)=C1	REAL300008138335	0	42	-1.0	-55.15	381.30	6.44	-48.71
CC1=CSC(CN(C)S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300008138336	0	35	-1.0	-47.17	328.34	6.71	-40.46
CC1=CSC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])SC=C2C)=C1	REAL300008138337	0	35	-1.0	-52.87	315.61	6.83	-46.04
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300008138338	0	38	-1.0	-51.13	345.40	7.65	-43.48
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C3OC(C(=O)[O-])=C(C)C3=C2)=C1	REAL300008138339	0	41	-1.0	-52.51	372.49	8.08	-44.43
CC1=CSC(CN(C)S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300008138340	0	38	-1.0	-54.35	346.22	7.36	-46.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC(C)=CS1	REAL300008138341	0	39	-1.0	-59.60	346.73	6.57	-53.03
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300008138342	0	38	-1.0	-53.68	337.93	7.07	-46.61
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300008138343	0	38	-1.0	-60.29	329.55	7.06	-53.23
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC(C)=CS1	REAL300008138344	0	39	-1.0	-47.33	354.37	6.87	-40.46
CC1=CSC(CN(C)S(=O)(=O)CC2(CC(=O)[O-])CC2)=C1	REAL300008138345	0	38	-1.0	-47.95	333.18	6.52	-41.43
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300008138346	0	38	-1.0	-53.89	347.68	7.51	-46.38
COC1=C(S(=O)(=O)N(C)CC2=CC(C)=CS2)SC(C(=O)[O-])=C1	REAL300008138347	0	36	-1.0	-52.19	339.63	5.03	-47.16
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)=C1	REAL300008138348	0	40	-1.0	-50.56	362.33	7.41	-43.15
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300008138349	0	38	-1.0	-48.52	355.63	7.55	-40.97
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300008138350	0	42	-1.0	-54.61	371.65	8.63	-45.98
CCC1=C(S(=O)(=O)N(C)CC2=CC(C)=CS2)C=C(C(=O)[O-])O1	REAL300008138351	0	38	-1.0	-58.43	335.86	6.13	-52.30
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300008138352	0	37	-1.0	-61.44	344.54	8.63	-52.81
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)=C1	REAL300008138353	0	38	-1.0	-53.87	355.79	7.92	-45.95
CC1=CSC(CN(C)S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300008138354	0	37	-1.0	-53.51	344.68	8.43	-45.08
CC1=CSC(CN(C)S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)=C1	REAL300008138355	0	37	-1.0	-48.08	332.99	5.12	-42.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)CC1=CC(C)=CS1	REAL300008138356	0	39	-1.0	-48.42	349.47	6.57	-41.85
COC1=CC(S(=O)(=O)N(C)CC2=CC(C)=CS2)=CC=C1C(=O)[O-]	REAL300008138357	0	39	-1.0	-55.24	352.78	6.82	-48.42
COC1=CC=C(S(=O)(=O)N(C)CC2=CC(C)=CS2)C(CC(=O)[O-])=C1	REAL300008138358	0	42	-1.0	-63.44	367.50	7.14	-56.30
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=C1	REAL300008138359	0	38	-1.0	-52.81	352.53	7.59	-45.22
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300008138360	0	38	-1.0	-50.12	356.95	7.43	-42.69
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300008138361	0	44	-1.0	-51.68	378.11	8.42	-43.26
CC1=CSC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=C1	REAL300008138362	0	35	-1.0	-52.59	312.16	4.91	-47.68
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)=C1	REAL300008138363	0	41	-1.0	-51.81	355.15	8.64	-43.17
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300008138364	0	35	-1.0	-51.14	325.68	5.66	-45.48
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300008138365	0	35	-1.0	-52.57	338.02	7.13	-45.44
CC1=CSC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=C1	REAL300008138366	0	32	-1.0	-54.07	298.97	5.45	-48.62
CC1=CSC(CN(C)S(=O)(=O)C2(C(=O)[O-])CCC2)=C1	REAL300008138367	0	35	-1.0	-44.48	303.76	5.84	-38.64
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)CC2=CC(C)=CS2)=C1	REAL300008138368	0	39	-1.0	-65.20	345.83	7.08	-58.12
CC1=CSC(CN(C)S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300008138369	0	32	-1.0	-52.93	297.93	3.64	-49.29
CC1=CSC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=C1	REAL300008138370	0	35	-1.0	-52.59	312.16	4.91	-47.68
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300008138371	0	37	-2.0	-136.97	344.71	7.39	-129.58
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC(C)=CS1	REAL300008138372	0	42	-1.0	-49.10	371.84	6.78	-42.32
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300008138373	0	34	-1.0	-46.83	306.88	4.33	-42.50
CC1=CSC(CN(C)S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])=C1	REAL300008138374	0	38	-1.0	-57.48	338.00	7.94	-49.54
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300008138375	0	32	-1.0	-50.23	318.33	5.12	-45.11
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300008138376	0	41	-1.0	-52.66	354.52	8.62	-44.04
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC(C)=CS1	REAL300008138377	0	42	-1.0	-54.78	369.79	7.55	-47.23
COC1=CC=C(S(=O)(=O)N(C)CC2=CC(C)=CS2)C(C(=O)[O-])=C1	REAL300008138378	0	39	-1.0	-68.40	345.79	7.26	-61.14
CC1=CSC(CN(C)S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)=C1	REAL300008138379	0	34	-1.0	-56.60	321.58	4.96	-51.64
CC1=CSC(CN(C)S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=C1	REAL300008138380	0	32	-1.0	-47.74	302.00	2.72	-45.02
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)=C1	REAL300008138381	0	35	-1.0	-56.08	323.03	4.36	-51.72
CC1=CSC(CN(C)S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)=C1	REAL300008138382	0	41	-1.0	-53.06	370.84	9.05	-44.01
CC1=CSC(CN(C)S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300008138383	0	35	-1.0	-53.23	314.55	5.92	-47.31
CC1=CSC(CN(C)S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300008138384	0	38	-1.0	-51.90	324.05	6.13	-45.77
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)=C1	REAL300008138385	0	35	-1.0	-53.32	328.61	6.14	-47.18
CC1=CSC(CN(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300008138386	0	41	-1.0	-72.42	361.73	10.02	-62.40
CC1=CSC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)=C1	REAL300008138387	0	38	-1.0	-43.89	349.04	7.97	-35.92
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=C1	REAL300008138388	0	38	-1.0	-62.18	338.08	7.81	-54.37
CC1=CSC(CN(C)S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)=C1	REAL300008138389	0	35	-1.0	-49.64	355.25	7.33	-42.31
CC1=CSC(CN(C)S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)=C1	REAL300008138390	0	38	-1.0	-66.84	351.62	5.35	-61.49
CC1=CSC(CN(C)S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)=C1	REAL300008138391	0	38	-1.0	-45.96	348.54	8.35	-37.61
CC1=CSC(CN(C)S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])=C1	REAL300008138392	0	35	-1.0	-56.49	321.68	6.15	-50.34
CC1=CSC(CN(C)S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300008138393	0	40	-1.0	-53.79	328.46	6.60	-47.19
CC1=CSC(CN(C)S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=C1	REAL300008138394	0	32	-1.0	-47.74	302.00	2.72	-45.02
CC1=CSC(CN(C)S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300008138395	0	37	-1.0	-59.39	323.99	5.78	-53.61
CC1=CSC(CN(C)S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300008138396	0	32	-1.0	-52.93	297.93	3.64	-49.29
CC1=CSC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=C1	REAL300008138397	0	32	-1.0	-57.02	328.14	7.05	-49.97
CC1=CSC(CN(C)S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008138398	0	35	-1.0	-55.15	302.81	6.36	-48.79
CC1=CSC(CN(C)S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)=C1	REAL300008138399	0	37	-1.0	-54.07	330.58	5.07	-49.00
CC1=CSC(CN(C)S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=C1	REAL300008138400	0	38	-1.0	-62.18	338.08	7.81	-54.37
CCOC1=CC=C(S(=O)(=O)N(C)CC2=CC(C)=CS2)C=C1C(=O)[O-]	REAL300008138401	0	42	-1.0	-59.99	374.65	7.72	-52.27
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300008138402	0	42	-1.0	-54.68	371.69	8.61	-46.07
CC1=CSC(CN(C)S(=O)(=O)C2=CN=CC=C2C(=O)[O-])=C1	REAL300008138403	0	34	-1.0	-62.64	313.88	6.11	-56.53
CC1=CSC(CN(C)S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)=C1	REAL300008138404	0	40	-1.0	-56.44	359.45	6.82	-49.62
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008138405	0	36	-1.0	-50.58	328.91	5.98	-44.60
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008138406	0	36	-1.0	-55.37	329.00	5.97	-49.40
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008138407	0	39	-1.0	-49.81	342.47	6.61	-43.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(F)=C1OC	REAL300008138408	0	40	-1.0	-59.44	346.84	5.98	-53.46
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008138409	0	39	-1.0	-54.75	345.00	6.50	-48.25
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008138410	0	33	-1.0	-64.93	304.45	5.46	-59.47
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008138411	0	36	-1.0	-55.37	329.00	5.97	-49.40
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008138412	0	36	-1.0	-50.58	328.91	5.98	-44.60
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008138413	0	36	-1.0	-69.91	308.34	6.75	-63.16
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008138414	0	34	-1.0	-52.84	317.50	3.71	-49.13
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008138415	0	36	-1.0	-54.26	331.09	4.06	-50.20
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008138416	0	33	-1.0	-50.02	321.20	5.10	-44.92
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008138417	0	33	-1.0	-55.55	304.39	2.97	-52.58
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008138418	0	36	-1.0	-69.91	308.34	6.75	-63.16
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008138419	0	36	-1.0	-61.45	332.80	7.59	-53.86
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008138420	0	33	-1.0	-51.77	311.25	4.38	-47.39
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008138421	0	36	-1.0	-51.99	331.97	4.81	-47.18
COC1=C(F)C=CC=C1N(C)S(=O)(=O)CCCC(=O)[O-]	REAL300008138422	0	35	-1.0	-57.93	314.76	4.59	-53.34
COC1=C(F)C=CC=C1N(C)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008138423	0	39	-1.0	-64.33	353.01	6.65	-57.68
COC1=C(F)C=CC=C1N(C)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008138424	0	39	-1.0	-66.80	352.48	6.67	-60.13
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008138425	0	33	-1.0	-51.77	311.25	4.38	-47.39
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008138426	0	40	-1.0	-51.25	360.01	6.25	-45.00
COC1=C(F)C=CC=C1N(C)S(=O)(=O)CCCC(=O)[O-]	REAL300008138427	0	35	-1.0	-57.93	314.76	4.59	-53.34
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008138428	0	33	-1.0	-51.81	321.70	5.07	-46.74
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008138429	0	42	-1.0	-64.07	354.42	7.21	-56.86
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008138430	0	39	-1.0	-52.38	331.20	6.88	-45.50
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)=C1	REAL300008138431	0	43	-1.0	-62.96	381.25	5.72	-57.24
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008138432	0	33	-1.0	-52.17	318.06	5.07	-47.10
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008138433	0	39	-1.0	-48.72	327.79	6.31	-42.41
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008138434	0	39	-1.0	-56.74	350.46	7.88	-48.86
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008138435	0	39	-1.0	-47.92	351.12	6.75	-41.17
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300008138436	0	41	-1.0	-50.67	364.46	7.04	-43.63
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008138437	0	33	-1.0	-51.41	316.27	4.11	-47.30
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008138438	0	39	-1.0	-48.93	351.16	6.74	-42.19
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008138439	0	36	-1.0	-54.79	322.20	4.98	-49.81
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008138440	0	35	-1.0	-48.87	321.39	4.16	-44.71
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008138441	0	32	-1.0	-69.20	303.18	4.14	-65.06
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008138442	0	32	-1.0	-73.06	309.58	3.66	-69.40
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008138443	0	35	-1.0	-72.89	306.65	4.89	-68.00
COC1=C(F)C=CC=C1N(C)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008138444	0	41	-1.0	-59.30	357.75	6.15	-53.15
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008138445	0	35	-1.0	-54.10	322.08	4.22	-49.88
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008138446	0	36	-1.0	-48.94	342.91	6.51	-42.43
COC1=CC=C(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300008138447	0	40	-1.0	-60.52	356.27	6.04	-54.48
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008138448	0	39	-1.0	-49.97	345.00	6.52	-43.45
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008138449	0	41	-1.0	-51.26	348.61	5.94	-45.32
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)=C1	REAL300008138450	0	43	-1.0	-62.96	381.25	5.72	-57.24
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008138451	0	36	-1.0	-48.94	342.91	6.51	-42.43
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008138452	0	36	-1.0	-51.67	316.06	6.08	-45.59
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008138453	0	39	-1.0	-57.95	347.35	6.88	-51.07
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008138454	0	42	-1.0	-53.29	373.14	7.35	-45.94
COC1=C(F)C=CC=C1N(C)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008138455	0	39	-1.0	-64.33	353.01	6.65	-57.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(F)=C1OC	REAL300008138456	0	40	-1.0	-59.44	346.84	5.98	-53.46
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008138457	0	39	-1.0	-54.75	345.00	6.50	-48.25
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008138458	0	39	-1.0	-49.81	342.47	6.61	-43.20
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300008138459	0	40	-1.0	-45.87	354.91	6.38	-39.49
COC1=C(F)C=CC=C1N(C)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008138460	0	39	-1.0	-55.45	336.15	5.93	-49.52
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008138461	0	39	-1.0	-48.93	351.16	6.74	-42.19
COC1=C(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)SC(C(=O)[O-])=C1	REAL300008138462	0	37	-1.0	-50.19	350.35	4.40	-45.79
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008138463	0	41	-1.0	-51.71	363.05	6.67	-45.04
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008138464	0	43	-1.0	-51.95	373.52	7.81	-44.14
CCC1=C(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)C=C(C(=O)[O-])O1	REAL300008138465	0	39	-1.0	-48.43	347.69	5.89	-42.54
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008138466	0	38	-1.0	-63.75	344.22	7.73	-56.02
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008138467	0	39	-1.0	-51.91	364.06	7.51	-44.40
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008138468	0	38	-1.0	-53.83	344.21	7.74	-46.09
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008138469	0	38	-1.0	-48.54	340.84	4.65	-43.89
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1=CC=CC(F)=C1OC	REAL300008138470	0	40	-1.0	-49.85	346.84	5.98	-43.87
COC1=CC(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)=CC=C1C(=O)[O-]	REAL300008138471	0	40	-1.0	-55.58	356.27	6.06	-49.52
COC1=CC=C(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)C(CC(=O)[O-])=C1	REAL300008138472	0	43	-1.0	-67.86	367.71	6.31	-61.55
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008138473	0	39	-1.0	-49.46	356.63	6.80	-42.66
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008138474	0	45	-1.0	-54.03	383.86	7.65	-46.38
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008138475	0	36	-1.0	-57.37	317.01	4.28	-53.09
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008138476	0	42	-1.0	-57.91	354.24	7.93	-49.98
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008138477	0	36	-1.0	-59.71	333.38	4.97	-54.74
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008138478	0	36	-1.0	-53.22	341.50	6.36	-46.86
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008138479	0	33	-1.0	-56.61	305.21	4.76	-51.85
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008138480	0	36	-1.0	-45.20	304.75	5.03	-40.17
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)=C1	REAL300008138481	0	40	-1.0	-70.60	347.19	6.16	-64.44
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008138482	0	33	-1.0	-55.55	304.39	2.97	-52.58
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008138483	0	36	-1.0	-57.37	317.01	4.28	-53.09
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008138484	0	38	-2.0	-135.16	355.86	6.93	-128.23
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(F)=C1OC	REAL300008138485	0	43	-1.0	-46.38	370.81	6.10	-40.28
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008138486	0	33	-1.0	-48.11	328.65	4.63	-43.48
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008138487	0	42	-1.0	-52.15	351.77	7.71	-44.44
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=CC(F)=C1OC	REAL300008138488	0	43	-1.0	-58.74	366.26	6.72	-52.02
COC1=CC=C(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)C(C(=O)[O-])=C1	REAL300008138489	0	40	-1.0	-71.26	345.49	6.37	-64.89
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008138490	0	33	-1.0	-46.41	314.75	2.26	-44.15
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008138491	0	36	-1.0	-62.45	326.13	3.61	-58.84
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008138492	0	42	-1.0	-54.66	372.07	8.26	-46.40
COC1=C(F)C=CC=C1N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008138493	0	36	-1.0	-52.53	316.37	5.18	-47.35
COC1=C(F)C=CC=C1N(C)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008138494	0	39	-1.0	-55.72	330.67	5.63	-50.09
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008138495	0	36	-1.0	-51.74	338.58	5.74	-46.00
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008138496	0	42	-1.0	-78.63	363.25	9.09	-69.54
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008138497	0	39	-1.0	-67.24	338.22	7.01	-60.23
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008138498	0	39	-1.0	-75.67	354.12	4.73	-70.94
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008138499	0	39	-1.0	-50.05	356.00	7.26	-42.79
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008138500	0	36	-1.0	-54.51	321.26	5.40	-49.11
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008138501	0	33	-1.0	-46.41	314.75	2.26	-44.15
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008138502	0	33	-1.0	-57.90	325.26	6.27	-51.63
COC1=C(F)C=CC=C1N(C)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008138503	0	36	-1.0	-67.11	309.58	5.64	-61.47
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008138504	0	38	-1.0	-52.47	341.78	4.68	-47.79
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008138505	0	39	-1.0	-67.24	338.22	7.01	-60.23
CCOC1=CC=C(S(=O)(=O)N(C)C2=CC=CC(F)=C2OC)C=C1C(=O)[O-]	REAL300008138506	0	43	-1.0	-61.30	378.13	6.94	-54.36
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008138507	0	43	-1.0	-51.54	370.16	7.88	-43.66
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008138508	0	35	-1.0	-61.82	304.72	4.85	-56.97
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138509	0	42	-1.0	-47.25	341.11	5.46	-41.79
CC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138510	0	42	-1.0	-49.82	337.18	5.46	-44.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)OC(C(F)(F)F)C1(C)C	REAL300008138511	0	45	-1.0	-53.05	347.39	6.01	-47.04
CC1=CC=C(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)C=C1C(=O)[O-]	REAL300008138512	0	45	-1.0	-51.81	353.08	5.98	-45.83
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138513	0	39	-1.0	-43.87	320.84	4.74	-39.13
CC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138514	0	42	-1.0	-49.82	337.18	5.46	-44.36
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138515	0	42	-1.0	-47.25	341.11	5.46	-41.79
CC1CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138516	0	42	-1.0	-47.04	323.15	5.74	-41.30
CC1CN(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138517	0	40	-1.0	-48.50	325.37	3.19	-45.31
CC1CN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138518	0	42	-1.0	-49.44	346.49	3.56	-45.88
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(C)(C)C(C(F)(F)F)O1	REAL300008138519	0	39	-1.0	-46.78	333.60	4.56	-42.22
CC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138520	0	39	-1.0	-47.54	313.38	2.56	-44.98
CC1CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138521	0	47	-1.0	-48.46	355.68	4.62	-43.84
CC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C(C(F)(F)F)O1	REAL300008138522	0	47	-1.0	-46.24	356.36	4.46	-41.78
CC1CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138523	0	42	-1.0	-47.04	323.15	5.74	-41.30
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(C)(C)C(C(F)(F)F)O1	REAL300008138524	0	39	-1.0	-47.49	326.60	3.85	-43.64
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)O1	REAL300008138525	0	42	-1.0	-47.94	342.12	4.50	-43.44
CC1CN(S(=O)(=O)CCCC(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138526	0	41	-1.0	-49.46	321.52	4.03	-45.43
CC1CN(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138527	0	44	-1.0	-45.40	341.71	4.03	-41.37
CC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138528	0	45	-1.0	-54.95	368.43	6.32	-48.63
CC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C(C(F)(F)F)O1	REAL300008138529	0	47	-1.0	-46.24	356.36	4.46	-41.78
CC1CN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138530	0	45	-1.0	-56.38	363.72	6.34	-50.04
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(C)(C)C(C(F)(F)F)O1	REAL300008138531	0	39	-1.0	-47.49	326.60	3.85	-43.64
CC1CN(S(=O)(=O)CCCC(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138532	0	41	-1.0	-49.46	321.52	4.03	-45.43
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(C)(C)C(C(F)(F)F)O1	REAL300008138533	0	39	-1.0	-48.01	334.49	4.44	-43.57
CC1=CC=CC(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)=C1C(=O)[O-]	REAL300008138534	0	45	-1.0	-51.19	352.56	6.42	-44.77
CC1CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138535	0	39	-1.0	-48.71	333.16	4.50	-44.21
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC(C)OC(C(F)(F)F)C1(C)C	REAL300008138536	0	45	-1.0	-47.79	347.75	5.81	-41.98
CC1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138537	0	45	-1.0	-47.00	363.30	6.23	-40.77
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C(C)(C)C(C(F)(F)F)O1	REAL300008138538	0	39	-1.0	-47.46	326.90	3.59	-43.87
CC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138539	0	45	-1.0	-49.19	359.39	6.24	-42.95
CC1=C(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)C=C(C(=O)[O-])O1	REAL300008138540	0	42	-1.0	-51.46	339.68	4.29	-47.17
CC1CN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138541	0	41	-1.0	-46.36	332.19	3.66	-42.70
CC1CN(S(=O)(=O)C2=CSN=C2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138542	0	38	-1.0	-48.17	310.58	3.24	-44.93
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(C)(C)C(C(F)(F)F)O1	REAL300008138543	0	38	-1.0	-58.90	322.78	3.16	-55.74
CC1CN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138544	0	41	-1.0	-50.43	322.67	3.89	-46.54
CC1CN(S(=O)(=O)CCCCCC(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138545	0	47	-1.0	-51.22	364.52	5.59	-45.63
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138546	0	41	-1.0	-49.14	337.21	3.65	-45.49
CC1=CC(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)=CC=C1C(=O)[O-]	REAL300008138547	0	45	-1.0	-46.74	352.57	5.98	-40.76
CC1CN(S(=O)(=O)N(C)CCC(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138548	0	43	-1.0	-43.65	333.35	3.62	-40.03
CC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138549	0	45	-1.0	-54.95	368.43	6.32	-48.63
CC1=CC=C(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)C=C1C(=O)[O-]	REAL300008138550	0	45	-1.0	-51.81	353.08	5.98	-45.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)OC(C(F)(F)F)C1(C)C	REAL300008138551	0	45	-1.0	-53.05	347.39	6.01	-47.04
CC1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C(C)(C)C(C(F)(F)F)O1	REAL300008138552	0	45	-1.0	-46.67	354.17	5.42	-41.25
CC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138553	0	45	-1.0	-49.19	359.39	6.24	-42.95
CCC1=C(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)C=C(C(=O)[O-])O1	REAL300008138554	0	45	-1.0	-51.42	363.78	5.17	-46.25
CC1=NC=C(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)C=C1C(=O)[O-]	REAL300008138555	0	44	-1.0	-45.87	348.46	4.19	-41.68
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)(C)C(C(F)(F)F)O1	REAL300008138556	0	42	-1.0	-44.29	329.56	3.39	-40.90
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)=C1	REAL300008138557	0	42	-1.0	-49.81	341.87	4.62	-45.19
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C(C)(C)C(C(F)(F)F)O1	REAL300008138558	0	39	-1.0	-48.60	314.63	4.28	-44.32
CC1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)C(C)(C)C(C(F)(F)F)O1	REAL300008138559	0	42	-1.0	-40.40	312.33	4.23	-36.17
CC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138560	0	39	-1.0	-47.54	313.38	2.56	-44.98
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(C)(C)C(C(F)(F)F)O1	REAL300008138561	0	42	-1.0	-44.29	329.56	3.39	-40.90
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(C)(C)C(C(F)(F)F)O1	REAL300008138562	0	41	-1.0	-45.82	334.28	4.11	-41.71
CC1CN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138563	0	45	-1.0	-51.40	349.05	6.51	-44.89
CC1CN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138564	0	41	-1.0	-54.44	330.26	3.53	-50.91
CC1CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138565	0	39	-1.0	-42.26	322.25	2.01	-40.25
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C(C)(C)C(C(F)(F)F)O1	REAL300008138566	0	42	-1.0	-54.18	343.79	3.13	-51.05
CC1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138567	0	42	-1.0	-49.99	328.97	4.71	-45.28
CC1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138568	0	45	-1.0	-51.36	350.55	5.23	-46.13
CC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138569	0	45	-1.0	-53.74	345.51	6.52	-47.22
CC1CN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138570	0	42	-1.0	-51.76	335.80	4.91	-46.85
CC1CN(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138571	0	47	-1.0	-45.56	339.49	4.84	-40.72
CC1CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(C)(C)C(C(F)(F)F)O1	REAL300008138572	0	39	-1.0	-42.26	322.25	2.01	-40.25
CC1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138573	0	44	-1.0	-55.78	335.52	4.48	-51.30
CC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138574	0	39	-1.0	-47.54	313.38	2.56	-44.98
CC1CN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138575	0	42	-1.0	-54.74	319.35	5.19	-49.55
CC1=CC(S(=O)(=O)N2CC(C)OC(C(F)(F)F)C2(C)C)=CN=C1C(=O)[O-]	REAL300008138576	0	44	-1.0	-49.03	348.90	4.20	-44.83
CC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138577	0	45	-1.0	-53.74	345.51	6.52	-47.22
CC1CN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C(C)(C)C(C(F)(F)F)O1	REAL300008138578	0	41	-1.0	-41.72	323.36	3.84	-37.88
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CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=N1	REAL300008142009	0	40	-1.0	-44.89	328.11	2.06	-42.83
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1C	REAL300008142010	0	39	-1.0	-43.64	312.60	3.56	-40.08
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300008142011	0	43	-1.0	-42.38	360.62	3.11	-39.27
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008142012	0	42	-1.0	-54.16	339.52	5.82	-48.34
CCOC1=CC=CN=C1S(=O)(=O)N[C@H](CC(=O)[O-])[C@@H](C)CC	REAL300008142013	0	43	-1.0	-50.25	344.37	4.00	-46.25
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300008142014	0	45	-1.0	-50.91	352.55	6.34	-44.57
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NC(C)=C1	REAL300008142015	0	39	-1.0	-42.76	318.62	3.45	-39.31
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008142016	0	41	-1.0	-56.81	337.98	4.67	-52.14
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(F)(F)C1	REAL300008142017	0	39	-1.0	-53.98	319.78	3.84	-50.14
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008142018	0	39	-1.0	-48.43	332.59	3.73	-44.70
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008142019	0	44	-1.0	-43.88	367.33	5.32	-38.56
CC[C@H](C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300008142020	0	50	-1.0	-44.83	381.18	7.06	-37.77
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142021	0	37	-1.0	-65.50	317.73	6.07	-59.43
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142022	0	44	-1.0	-60.43	354.51	8.17	-52.26
CC1CCN(S(=O)(=O)C2=CC=C(Cl)S2)C1C(=O)[O-]	REAL300008142023	0	29	-1.0	-56.31	286.20	5.04	-51.27
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142024	0	39	-1.0	-64.69	314.49	5.94	-58.75
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142025	0	35	-1.0	-62.02	300.84	6.66	-55.36
CC1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1C(=O)[O-]	REAL300008142026	0	36	-1.0	-58.93	309.23	5.82	-53.11
CC1CCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1C(=O)[O-]	REAL300008142027	0	38	-1.0	-65.27	336.53	3.10	-62.17
CC1CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1C(=O)[O-]	REAL300008142028	0	36	-1.0	-55.22	320.95	5.38	-49.84
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1OC	REAL300008142029	0	43	-1.0	-64.26	342.41	5.27	-58.99
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142030	0	35	-1.0	-46.42	296.49	5.65	-40.77
CC1CCN(S(=O)(=O)N(C)C2CCCCC2)C1C(=O)[O-]	REAL300008142031	0	43	-1.0	-61.68	330.08	5.83	-55.85
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142032	0	38	-1.0	-52.36	301.22	3.47	-48.89
CC1CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1C(=O)[O-]	REAL300008142033	0	48	-1.0	-60.17	377.69	9.39	-50.78
CC1CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1C(=O)[O-]	REAL300008142034	0	38	-1.0	-63.58	317.48	4.55	-59.03
CC1CCN(S(=O)(=O)C2=CC=CC=C2Br)C1C(=O)[O-]	REAL300008142035	0	32	-1.0	-61.72	279.11	5.81	-55.91
CC1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1C(=O)[O-]	REAL300008142036	0	32	-1.0	-56.87	296.25	6.21	-50.66
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142037	0	37	-1.0	-48.14	300.37	6.41	-41.73
CC1CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1C(=O)[O-]	REAL300008142038	0	38	-1.0	-63.87	338.84	7.55	-56.32
CC1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1C(=O)[O-]	REAL300008142039	0	42	-1.0	-73.48	359.75	2.08	-71.40
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142040	0	43	-1.0	-58.52	358.44	7.42	-51.10
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142041	0	35	-1.0	-52.43	300.66	5.46	-46.97
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1C(=O)[O-]	REAL300008142042	0	38	-1.0	-49.54	317.25	5.18	-44.36
COCC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142043	0	39	-1.0	-60.80	330.92	5.31	-55.49
CCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=N1	REAL300008142044	0	38	-1.0	-56.80	323.96	3.20	-53.60
CC1CCN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1C(=O)[O-]	REAL300008142045	0	41	-1.0	-74.22	360.87	3.78	-70.44
CC1CCN(S(=O)(=O)CCCS(C)(=O)=O)C1C(=O)[O-]	REAL300008142046	0	37	-1.0	-78.45	326.32	1.51	-76.94
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=C1C	REAL300008142047	0	42	-1.0	-62.28	328.76	5.98	-56.30
CC1CCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1C(=O)[O-]	REAL300008142048	0	37	-1.0	-63.42	323.81	6.06	-57.36
CC1CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1C(=O)[O-]	REAL300008142049	0	35	-1.0	-62.88	317.05	6.83	-56.05
CC1CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1C(=O)[O-]	REAL300008142050	0	37	-1.0	-62.28	315.94	5.99	-56.29
CC1CCN(S(=O)(=O)N(C)C2CCOCC2)C1C(=O)[O-]	REAL300008142051	0	41	-1.0	-59.65	319.67	3.43	-56.22
CC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008142052	0	41	-1.0	-60.85	339.04	6.58	-54.27
CCN1N=C(C)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1C	REAL300008142053	0	41	-1.0	-52.39	323.04	4.33	-48.06
CC(C)N1C=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=N1	REAL300008142054	0	38	-1.0	-47.97	317.95	3.75	-44.22
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142055	0	41	-1.0	-54.74	332.08	6.10	-48.64
CC(C)N1C=NC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142056	0	38	-1.0	-53.55	312.98	5.23	-48.32
CC(C)C1=NC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CN1	REAL300008142057	0	38	-1.0	-67.91	311.30	3.97	-63.94
CC1CCN(S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C1C(=O)[O-]	REAL300008142058	0	44	-1.0	-62.76	322.55	8.05	-54.71
CC1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1C(=O)[O-]	REAL300008142059	0	45	-1.0	-53.54	363.88	7.22	-46.32
CC1CCN(S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C1C(=O)[O-]	REAL300008142060	0	40	-1.0	-74.00	341.43	5.00	-69.00
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1OC	REAL300008142061	0	40	-1.0	-49.99	341.21	4.31	-45.68
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1Br	REAL300008142062	0	35	-1.0	-58.01	312.47	6.58	-51.43
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142063	0	35	-1.0	-56.79	287.02	6.15	-50.64
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1C(=O)[O-]	REAL300008142064	0	38	-1.0	-50.26	314.88	7.06	-43.20
CC1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1C(=O)[O-]	REAL300008142065	0	37	-1.0	-59.57	324.71	7.61	-51.96
CC1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1C(=O)[O-]	REAL300008142066	0	36	-1.0	-57.39	320.43	5.24	-52.15
CC1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1C(=O)[O-]	REAL300008142067	0	39	-1.0	-60.50	329.84	7.05	-53.45
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142068	0	47	-1.0	-52.33	355.14	5.37	-46.96
CC1CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1C(=O)[O-]	REAL300008142069	0	35	-1.0	-59.35	308.03	6.45	-52.90
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142070	0	43	-1.0	-65.96	348.15	4.99	-60.97
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)C)C=C2)C1	REAL300008143001	0	45	-1.0	-46.04	363.97	7.51	-38.53
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CCC)C=C2)C1	REAL300008143002	0	45	-1.0	-45.95	368.13	7.80	-38.15
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC)C1	REAL300008143003	0	40	-1.0	-48.96	331.48	5.59	-43.37
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300008143004	0	39	-1.0	-46.60	327.52	6.31	-40.29
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C(C)=C2)C1	REAL300008143005	0	39	-1.0	-46.14	348.33	6.94	-39.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008143006	0	40	-1.0	-43.28	349.74	5.38	-37.90
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)C1	REAL300008143007	0	51	-1.0	-48.19	378.32	8.65	-39.54
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300008143008	0	45	-1.0	-50.09	370.55	5.68	-44.41
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2OC)C1	REAL300008143009	0	52	-1.0	-60.81	410.47	8.04	-52.77
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)C1	REAL300008143010	0	41	-1.0	-54.00	353.04	6.95	-47.05
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)NN=C2C)C1	REAL300008143011	0	39	-1.0	-53.72	324.76	3.61	-50.11
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=C(C(C)(C)C)C=C2C)C1	REAL300008143012	0	54	-1.0	-45.43	403.79	9.34	-36.09
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300008143013	0	39	-1.0	-43.96	342.47	6.59	-37.37
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300008143014	0	46	-1.0	-52.50	372.34	8.28	-44.22
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(OC)=CC=C2OC)C1	REAL300008143015	0	44	-1.0	-62.19	363.76	5.01	-57.18
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C(OC)=C2)C1	REAL300008143016	0	44	-1.0	-50.19	367.55	4.96	-45.23
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300008143017	0	43	-1.0	-47.76	353.26	7.63	-40.13
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)ON=C2C)C1	REAL300008143018	0	38	-1.0	-50.77	321.67	4.73	-46.04
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300008143019	0	44	-1.0	-46.83	358.22	8.00	-38.83
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300008143020	0	41	-1.0	-46.84	343.64	5.57	-41.27
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)C1	REAL300008143021	0	51	-1.0	-45.85	407.19	9.09	-36.76
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC)C(OCC)=C2)C1	REAL300008143022	0	50	-1.0	-49.91	411.27	6.80	-43.11
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300008143023	0	41	-1.0	-52.05	357.97	0.54	-51.51
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=C(C)C([N+](=O)[O-])=C2)C1	REAL300008143024	0	44	-1.0	-56.80	369.66	7.48	-49.32
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C1	REAL300008143025	0	44	-1.0	-57.47	365.72	7.52	-49.95
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCCC2)C1	REAL300008143026	0	44	-1.0	-55.24	340.82	5.86	-49.38
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C1	REAL300008143027	0	44	-1.0	-61.18	363.74	7.32	-53.86
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C=C2[N+](=O)[O-])C1	REAL300008143028	0	42	-1.0	-44.06	350.30	6.55	-37.51
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2OC)C1	REAL300008143029	0	40	-1.0	-52.25	347.43	6.10	-46.15
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C1	REAL300008143030	0	41	-1.0	-57.75	363.87	0.75	-57.00
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CC2=C(F)C=CC=C2Cl)C1	REAL300008143031	0	44	-1.0	-47.76	372.50	7.09	-40.67
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCC2)C1	REAL300008143032	0	41	-1.0	-53.68	326.43	4.95	-48.73
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300008143033	0	45	-1.0	-54.43	365.62	7.07	-47.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C3=NC=CC=C23)C1	REAL300008143034	0	44	-1.0	-56.88	359.45	6.73	-50.15
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])C1	REAL300008143035	0	44	-1.0	-55.99	361.59	8.60	-47.39
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)CC2)C1	REAL300008143036	0	44	-1.0	-50.61	344.29	5.46	-45.15
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300008143037	0	48	-1.0	-58.03	393.65	5.08	-52.95
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300008143038	0	42	-1.0	-59.21	370.38	3.31	-55.90
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300008143039	0	46	-1.0	-54.59	369.29	9.16	-45.43
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CC(C)CC(C)C2)C1	REAL300008143040	0	47	-1.0	-44.90	363.99	5.96	-38.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300008143041	0	42	-1.0	-50.46	343.51	7.80	-42.66
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300008143042	0	46	-1.0	-47.63	377.92	9.00	-38.63
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2C)C1	REAL300008143043	0	39	-1.0	-56.48	326.70	6.36	-50.12
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)C1	REAL300008143044	0	50	-1.0	-48.69	396.95	7.65	-41.04
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300008143045	0	37	-1.0	-50.66	329.50	4.16	-46.50
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC)C1	REAL300008143046	0	40	-1.0	-54.83	349.84	6.20	-48.63
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC)=C2)C1	REAL300008143047	0	40	-1.0	-48.65	338.32	5.05	-43.60
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)(C)CC)C=C2)C1	REAL300008143048	0	51	-1.0	-46.08	394.17	8.37	-37.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C(Cl)=C2)C1	REAL300008143049	0	39	-1.0	-46.38	344.29	6.87	-39.51
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(C)C)C=C2)C1	REAL300008143050	0	46	-1.0	-46.65	373.00	6.43	-40.22
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CC)C1	REAL300008143051	0	42	-1.0	-46.28	334.31	7.29	-38.99
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C)C1	REAL300008143052	0	39	-1.0	-45.33	314.97	6.20	-39.13
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)C(C)=N2)C1	REAL300008143053	0	39	-1.0	-55.65	331.41	4.63	-51.02
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300008143054	0	39	-1.0	-45.24	344.26	6.82	-38.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300008143055	0	37	-1.0	-51.38	321.70	4.54	-46.84
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300008143056	0	41	-1.0	-54.73	344.31	6.75	-47.98
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2OC)C1	REAL300008143057	0	42	-1.0	-45.23	359.74	6.27	-38.96
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C(F)=C2)C1	REAL300008143058	0	40	-1.0	-50.78	344.55	5.13	-45.65
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C(F)=C2)C1	REAL300008143059	0	39	-1.0	-46.47	335.55	6.46	-40.01
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C)C=C2)C1	REAL300008143060	0	42	-1.0	-46.68	348.93	6.99	-39.69
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCC2C)C1	REAL300008143061	0	44	-1.0	-44.44	333.67	5.50	-38.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(CCC)CCC)C1	REAL300008143062	0	46	-1.0	-44.01	362.20	5.95	-38.06
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300008143063	0	39	-1.0	-44.20	359.45	7.28	-36.92
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C3=CC=CC=C32)C1	REAL300008143064	0	46	-1.0	-58.07	372.66	7.15	-50.92
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)C1	REAL300008143065	0	41	-1.0	-42.61	343.22	6.89	-35.72
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)C1	REAL300008143066	0	41	-1.0	-51.14	335.19	6.63	-44.51
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2CC)C1	REAL300008143067	0	44	-1.0	-56.25	371.89	8.40	-47.85
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(C)C)C=C2)C1	REAL300008143068	0	48	-1.0	-45.84	384.89	8.27	-37.57
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CCOC)C=C2)C1	REAL300008143069	0	46	-1.0	-46.56	380.30	6.10	-40.46
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(CCOC)CCOC)C1	REAL300008143070	0	48	-1.0	-43.43	380.07	2.87	-40.56
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2C)C1	REAL300008143071	0	39	-1.0	-56.00	337.02	6.81	-49.19
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=C(OC)C(C)=C2)C1	REAL300008143072	0	46	-1.0	-54.47	382.16	6.66	-47.81
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCC(C)C)C=C2)C1	REAL300008143073	0	52	-1.0	-46.23	415.66	7.91	-38.32
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300008143074	0	50	-1.0	-46.30	398.70	7.79	-38.51
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)C1	REAL300008143075	0	49	-1.0	-46.47	396.70	7.31	-39.16
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCC)C=C2)C1	REAL300008143076	0	46	-1.0	-46.47	376.59	6.61	-39.86
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C(Cl)=C2)C1	REAL300008143077	0	40	-1.0	-49.84	354.36	5.61	-44.23
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300008143078	0	40	-1.0	-49.01	364.11	5.88	-43.13
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C(C)=C2)C1	REAL300008143079	0	43	-1.0	-48.79	358.38	5.79	-43.00
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)C1	REAL300008143080	0	49	-1.0	-47.71	398.16	7.35	-40.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C=C2C)C1	REAL300008143081	0	43	-1.0	-46.45	344.45	5.52	-40.93
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCOC)C=C2)C1	REAL300008143082	0	47	-1.0	-49.69	388.72	5.08	-44.61
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300008143083	0	39	-1.0	-47.06	332.85	6.35	-40.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2C)C1	REAL300008143084	0	39	-1.0	-42.71	336.29	6.84	-35.87
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)C1	REAL300008143085	0	44	-1.0	-47.81	351.56	8.23	-39.58
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)C1	REAL300008143086	0	45	-1.0	-65.86	380.96	3.82	-62.04
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC)C=C2)C1	REAL300008143087	0	44	-1.0	-51.16	380.34	1.75	-49.41
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC)C1	REAL300008143088	0	44	-1.0	-48.07	364.56	3.59	-44.48
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N=C(C)S2)C1	REAL300008143089	0	38	-1.0	-56.82	338.13	4.32	-52.50
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300008143090	0	39	-1.0	-55.45	339.03	6.91	-48.54
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCC2)C1	REAL300008143091	0	42	-1.0	-60.10	335.61	6.21	-53.89
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(OC)=C2)C1	REAL300008143092	0	40	-1.0	-47.46	344.55	5.13	-42.33
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2)C1	REAL300008143093	0	33	-1.0	-54.38	299.69	4.69	-49.69
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300008143094	0	46	-1.0	-53.88	383.87	9.20	-44.68
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300008143095	0	39	-1.0	-55.05	363.82	7.45	-47.60
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCC2)C1	REAL300008143096	0	45	-1.0	-44.41	346.47	6.72	-37.69
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3=CSC(C)=N3)S2)C1	REAL300008143097	0	42	-1.0	-52.51	389.08	6.36	-46.15
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C1	REAL300008143098	0	44	-1.0	-60.61	363.68	7.33	-53.28
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)C(C(=O)NC)=C2)C1	REAL300008143099	0	44	-1.0	-49.86	371.84	3.39	-46.47
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=C(OC)C=C2C)C1	REAL300008143100	0	46	-1.0	-45.15	356.54	6.28	-38.87
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300008143101	0	47	-1.0	-56.32	392.80	9.89	-46.43
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=C(OC)C=C2C)C1	REAL300008143102	0	46	-1.0	-52.99	366.78	6.35	-46.64
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C1	REAL300008143103	0	44	-1.0	-48.08	355.61	7.02	-41.06
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300008143104	0	41	-1.0	-59.83	339.52	6.02	-53.81
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)C1	REAL300008143105	0	49	-1.0	-58.84	408.40	9.61	-49.23
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC)N=C2[N+](=O)[O-])C1	REAL300008143106	0	41	-1.0	-41.52	355.64	6.35	-35.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300008143107	0	43	-1.0	-48.12	374.66	6.27	-41.85
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)CC)=C2)C1	REAL300008143108	0	44	-1.0	-52.94	371.91	7.02	-45.92
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300008143109	0	46	-1.0	-50.51	393.69	7.31	-43.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300008143110	0	39	-1.0	-58.81	335.32	4.92	-53.89
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)C1	REAL300008143111	0	58	-1.0	-44.62	440.34	8.52	-36.10
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(C)=C2)C1	REAL300008143112	0	42	-1.0	-46.66	348.93	6.98	-39.68
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300008143113	0	44	-1.0	-54.66	381.03	2.21	-52.45
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300008143114	0	39	-1.0	-45.51	333.94	6.38	-39.13
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2C)C1	REAL300008143115	0	42	-1.0	-46.05	343.23	6.90	-39.15
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC)C3=CC=CC=C32)C1	REAL300008143116	0	49	-1.0	-49.79	393.69	8.07	-41.72
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC=C2OCC)C1	REAL300008143117	0	46	-1.0	-61.03	377.18	7.29	-53.74
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300008143118	0	41	-1.0	-62.60	357.09	5.93	-56.67
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300008143119	0	43	-1.0	-50.55	368.29	6.86	-43.69
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCOCC)C=C2)C1	REAL300008143120	0	50	-1.0	-47.44	410.56	6.04	-41.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCCCC)C=C2)C1	REAL300008143121	0	52	-1.0	-46.35	419.59	8.17	-38.18
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300008143122	0	46	-1.0	-48.16	362.20	8.40	-39.76
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300008143123	0	42	-1.0	-50.40	352.16	7.41	-42.99
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300008143124	0	40	-1.0	-43.17	360.13	7.05	-36.12
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300008143125	0	41	-1.0	-47.66	343.74	5.02	-42.64
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300008143126	0	44	-1.0	-55.24	367.42	6.85	-48.39
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300008143127	0	42	-1.0	-64.73	345.98	2.09	-62.64
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300008143128	0	41	-1.0	-48.19	352.01	5.76	-42.43
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC)C=C2C)C1	REAL300008143129	0	46	-1.0	-46.48	366.41	6.45	-40.03
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC)=C2)C1	REAL300008143130	0	44	-1.0	-56.53	386.30	1.96	-54.57
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300008143131	0	40	-1.0	-49.94	341.23	5.86	-44.08
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(SC)C=C2)C1	REAL300008143132	0	40	-1.0	-45.59	343.93	6.61	-38.98
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCCCCCC)C1	REAL300008143133	0	47	-1.0	-44.57	375.11	7.19	-37.38
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300008143134	0	42	-1.0	-45.51	366.59	7.33	-38.18
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(CC)CC2=CC=CC=C2)C1	REAL300008143135	0	47	-1.0	-45.70	374.79	7.41	-38.29
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC)C(C)=N2)C1	REAL300008143136	0	42	-1.0	-57.70	350.57	5.43	-52.27
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300008143137	0	42	-1.0	-59.94	348.60	5.50	-54.44
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300008143138	0	41	-1.0	-56.64	339.38	5.91	-50.73
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCO2)C1	REAL300008143139	0	40	-1.0	-45.02	327.76	3.91	-41.11
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCO2)C1	REAL300008143140	0	43	-1.0	-56.54	344.15	4.96	-51.58
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)C1	REAL300008143141	0	42	-1.0	-46.32	363.25	7.28	-39.04
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300008143142	0	42	-1.0	-49.03	380.96	6.44	-42.59
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300008143143	0	45	-1.0	-54.01	374.46	7.39	-46.62
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)C1	REAL300008143144	0	44	-1.0	-54.07	374.90	5.50	-48.57
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(Cl)=CC=C2OC)C1	REAL300008143145	0	43	-1.0	-47.83	372.44	6.19	-41.64
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(COC)=C2)C1	REAL300008143146	0	43	-1.0	-54.07	364.74	5.51	-48.56
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C1	REAL300008143147	0	47	-1.0	-50.36	382.47	7.02	-43.34
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC)N=C2)C1	REAL300008143148	0	39	-1.0	-50.23	333.80	4.31	-45.92
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300008143149	0	39	-1.0	-46.07	340.93	6.77	-39.30
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008143150	0	43	-1.0	-45.64	373.53	6.11	-39.53
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C(C)C2CC2)C1	REAL300008143151	0	44	-1.0	-43.84	348.74	5.60	-38.24
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300008143152	0	44	-1.0	-61.86	373.33	6.69	-55.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300008143153	0	39	-1.0	-54.55	355.58	7.28	-47.27
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCOC2)C1	REAL300008143154	0	40	-1.0	-46.39	321.16	3.55	-42.84
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OC(C)CC3=C2)C1	REAL300008143155	0	44	-1.0	-48.13	364.78	6.34	-41.79
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(CC)C=CC=C2CC)C1	REAL300008143156	0	48	-1.0	-44.44	356.72	8.57	-35.87
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300008143157	0	42	-1.0	-48.51	371.46	6.31	-42.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCOC)C1	REAL300008143158	0	41	-1.0	-45.07	333.00	2.90	-42.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CC2CC2)C1	REAL300008143159	0	41	-1.0	-43.97	334.13	5.24	-38.73
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)C1	REAL300008143160	0	45	-1.0	-49.39	380.12	4.64	-44.75
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C1	REAL300008143161	0	39	-1.0	-56.04	337.24	4.28	-51.76
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)OC(C)=C2)C1	REAL300008143162	0	39	-1.0	-46.44	325.81	5.06	-41.38
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CS2)C1	REAL300008143163	0	36	-1.0	-55.57	323.93	5.51	-50.06
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300008143164	0	39	-1.0	-52.56	339.44	6.19	-46.37
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300008143165	0	39	-1.0	-55.22	334.63	4.43	-50.79
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)N=C2)C1	REAL300008143166	0	39	-1.0	-53.20	335.76	2.45	-50.75
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3CCCN23)C1	REAL300008143167	0	40	-1.0	-53.59	333.01	5.07	-48.52
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=CS2)C1	REAL300008143168	0	36	-1.0	-57.73	321.08	5.54	-52.19
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300008143169	0	44	-1.0	-49.06	362.51	6.38	-42.68
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300008143170	0	43	-1.0	-55.82	353.37	7.62	-48.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)C1	REAL300008143171	0	46	-1.0	-55.52	390.55	7.58	-47.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)C1	REAL300008143172	0	44	-1.0	-49.35	382.59	6.87	-42.48
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C1	REAL300008143173	0	41	-1.0	-46.79	353.06	6.94	-39.85
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3OC)N=C2)C1	REAL300008143174	0	47	-1.0	-56.27	395.46	6.49	-49.78
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2C)C1	REAL300008143175	0	39	-1.0	-56.33	326.77	3.97	-52.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=NN2C)C1	REAL300008143176	0	39	-1.0	-52.25	327.24	4.31	-47.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300008143177	0	38	-1.0	-54.25	340.57	5.26	-48.99
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N(C)C)C=C2)C1	REAL300008143178	0	44	-1.0	-48.01	356.24	6.01	-42.00
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)C1	REAL300008143179	0	45	-1.0	-49.34	375.01	8.67	-40.67
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(OC)C=CS2)C1	REAL300008143180	0	37	-1.0	-49.04	328.02	4.76	-44.28
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(N(C)C)=C2)C1	REAL300008143181	0	44	-1.0	-53.35	361.17	6.18	-47.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300008143182	0	41	-1.0	-50.22	340.93	5.63	-44.59
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300008143183	0	41	-1.0	-52.74	350.88	5.65	-47.09
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300008143184	0	41	-1.0	-48.97	343.53	5.57	-43.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300008143185	0	42	-1.0	-45.56	365.76	7.62	-37.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCN(C)C3=C2)C1	REAL300008143186	0	48	-1.0	-48.90	383.01	6.27	-42.63
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300008143187	0	38	-1.0	-52.04	344.07	5.09	-46.95
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(OC)C=CC=C2OC)C1	REAL300008143188	0	44	-1.0	-50.48	361.46	6.39	-44.09
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)C1	REAL300008143189	0	44	-1.0	-49.05	361.43	7.38	-41.67
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])C1	REAL300008143190	0	44	-1.0	-48.12	359.63	8.83	-39.29
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C1	REAL300008143191	0	44	-1.0	-59.03	364.37	7.50	-51.53
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(OC)C=C2)C1	REAL300008143192	0	46	-1.0	-47.00	378.53	6.39	-40.61
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(OC)=C2)C1	REAL300008143193	0	39	-1.0	-54.25	333.16	3.24	-51.01
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C1	REAL300008143194	0	45	-1.0	-46.85	381.81	7.42	-39.43
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300008143195	0	43	-1.0	-46.24	352.96	7.69	-38.55
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(OC)=CC(OC)=C2)C1	REAL300008143196	0	44	-1.0	-57.27	367.56	4.38	-52.89
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300008143197	0	48	-1.0	-44.69	369.80	7.27	-37.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(C)C=C2)C1	REAL300008143198	0	45	-1.0	-46.04	370.44	7.77	-38.27
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2C)OCO3)C1	REAL300008143199	0	42	-1.0	-46.60	341.09	4.89	-41.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300008143200	0	39	-1.0	-52.04	333.12	6.04	-46.00
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(OC)=C2)C1	REAL300008143201	0	40	-1.0	-46.97	354.36	5.61	-41.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCC2)C1	REAL300008143202	0	45	-1.0	-44.42	353.71	6.70	-37.72
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)N=CN3C)C1	REAL300008143203	0	42	-1.0	-61.45	356.85	7.12	-54.33
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C1	REAL300008143204	0	44	-1.0	-58.63	354.24	7.27	-51.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)C1	REAL300008143205	0	41	-1.0	-55.54	352.23	3.44	-52.10
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC)C(CC)=C2)C1	REAL300008143206	0	48	-1.0	-48.46	385.83	8.32	-40.14
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)C1	REAL300008143207	0	44	-1.0	-43.26	354.72	7.73	-35.53
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=C(C)C=C2OC)C1	REAL300008143208	0	46	-1.0	-59.59	366.83	7.38	-52.21
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=C(C)S2)C1	REAL300008143209	0	39	-1.0	-56.22	344.00	6.26	-49.96
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300008143210	0	37	-1.0	-49.67	324.66	3.54	-46.13
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C)S2)C1	REAL300008143211	0	35	-1.0	-54.21	317.12	3.61	-50.60
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(CC)S2)C1	REAL300008143212	0	38	-1.0	-53.66	338.61	4.36	-49.30
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)ON=C2N)C1	REAL300008143213	0	37	-1.0	-46.19	313.64	3.06	-43.13
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N(C)C)N=C2)C1	REAL300008143214	0	43	-1.0	-56.31	357.25	5.55	-50.76
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=C(C)S2)C1	REAL300008143215	0	39	-1.0	-48.58	336.59	6.10	-42.48
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300008143216	0	42	-1.0	-46.41	344.82	7.21	-39.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300008143217	0	39	-1.0	-56.45	330.61	4.37	-52.08
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)C1	REAL300008143218	0	42	-1.0	-44.60	354.74	7.06	-37.54
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300008143219	0	43	-1.0	-59.84	364.58	5.53	-54.31
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300008143220	0	49	-1.0	-47.25	404.55	7.15	-40.10
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C1	REAL300008143221	0	40	-1.0	-53.26	340.79	5.66	-47.60
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300008143222	0	38	-1.0	-51.85	335.58	5.40	-46.45
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)N=C2)C1	REAL300008143223	0	38	-1.0	-55.30	325.18	4.60	-50.70
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CSC(C)=N2)C1	REAL300008143224	0	38	-1.0	-47.30	334.10	4.00	-43.30
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC(OC)C2CC2)C1	REAL300008143225	0	43	-1.0	-46.86	351.42	4.83	-42.03
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300008143226	0	39	-1.0	-45.08	344.26	6.83	-38.25
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C1	REAL300008143227	0	39	-1.0	-46.19	344.29	6.85	-39.34
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300008143228	0	42	-1.0	-51.10	355.81	6.71	-44.39
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3=NC(C)=CS3)C=C2)C1	REAL300008143229	0	45	-1.0	-48.73	389.97	7.05	-41.68
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300008143230	0	44	-1.0	-51.40	355.71	6.99	-44.41
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300008143231	0	43	-1.0	-50.68	372.82	3.59	-47.09
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300008143232	0	45	-1.0	-53.34	364.98	6.12	-47.22
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300008143233	0	39	-1.0	-45.27	347.33	6.84	-38.43
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(C)CC)=C2)C1	REAL300008143234	0	49	-1.0	-48.21	398.85	7.41	-40.80
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC(OC)C2CCCC2)C1	REAL300008143235	0	49	-1.0	-45.11	376.59	5.96	-39.15
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC(OC)C2CCCCC2)C1	REAL300008143236	0	52	-1.0	-44.34	399.19	6.81	-37.53
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2COC(C)(C)C2)C1	REAL300008143237	0	43	-1.0	-56.25	345.84	4.29	-51.96
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC(OCC)C2CC2)C1	REAL300008143238	0	46	-1.0	-46.77	367.85	5.91	-40.86
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCC)C(C(C)C)=C2)C1	REAL300008143239	0	55	-1.0	-48.12	440.29	8.80	-39.32
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3CC3)C(CC)=N2)C1	REAL300008143240	0	49	-1.0	-57.16	399.15	7.42	-49.74
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300008143241	0	39	-1.0	-50.64	346.48	5.22	-45.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C1	REAL300008143242	0	44	-1.0	-50.81	360.80	7.64	-43.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3CC3)C=NN2C)C1	REAL300008143243	0	43	-1.0	-45.97	353.11	5.58	-40.39
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300008143244	0	49	-1.0	-47.78	406.78	7.93	-39.85
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C1	REAL300008143245	0	39	-1.0	-48.98	348.96	4.42	-44.56
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300008143246	0	46	-1.0	-53.09	367.34	8.90	-44.19
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(CC)=C(OC)C=C2C)C1	REAL300008143247	0	49	-1.0	-52.81	388.42	7.10	-45.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C1	REAL300008143248	0	38	-1.0	-63.36	335.66	4.77	-58.59
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=CC3=CC=CC=C32)C1	REAL300008143249	0	45	-1.0	-49.14	360.57	8.92	-40.22
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C1	REAL300008143250	0	45	-1.0	-46.85	376.89	4.27	-42.58
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2OC)C1	REAL300008143251	0	40	-1.0	-47.36	336.87	5.90	-41.46
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC)C(C(C)C)=C2)C1	REAL300008143252	0	52	-1.0	-48.46	418.79	8.00	-40.46
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C1	REAL300008143253	0	48	-1.0	-45.87	387.04	8.01	-37.86
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300008143254	0	55	-1.0	-45.97	429.38	10.12	-35.85
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3CCCCC3=NN2C)C1	REAL300008143255	0	46	-1.0	-49.46	365.70	5.76	-43.70
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C1	REAL300008143256	0	48	-1.0	-43.69	375.26	5.97	-37.72
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300008143257	0	46	-1.0	-49.14	375.12	6.09	-43.05
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C1	REAL300008143258	0	39	-1.0	-50.84	339.20	4.57	-46.27
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2OC)C1	REAL300008143259	0	43	-1.0	-48.33	362.12	5.74	-42.59
C=CCCC1=CC=C(S(=O)(=O)N2CCC(CC=C)(C(=O)[O-])C2)C=C1	REAL300008143260	0	46	-1.0	-45.92	380.94	8.37	-37.55
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2CC)C1	REAL300008143261	0	42	-1.0	-43.48	348.83	4.71	-38.77
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300008143262	0	40	-1.0	-45.08	352.37	7.30	-37.78
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCC)C(CC)=C2)C1	REAL300008143263	0	52	-1.0	-47.34	423.38	8.27	-39.07
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)C1	REAL300008143264	0	42	-1.0	-43.10	343.83	7.49	-35.61
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCCC2CC2)C1	REAL300008143265	0	42	-1.0	-54.94	345.13	6.54	-48.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300008143266	0	40	-1.0	-45.89	349.88	7.21	-38.68
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CCC)C1	REAL300008143267	0	45	-1.0	-46.64	355.89	8.07	-38.57
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2OC)C1	REAL300008143268	0	39	-1.0	-58.68	332.03	3.10	-55.58
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300008143269	0	41	-1.0	-50.79	338.66	5.96	-44.83
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C)N2C)C1	REAL300008143270	0	39	-1.0	-55.42	327.76	4.82	-50.60
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)SC=C2C)C1	REAL300008143271	0	39	-1.0	-44.28	326.89	6.29	-37.99
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300008143272	0	43	-1.0	-55.76	358.48	5.46	-50.30
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300008143273	0	43	-1.0	-52.51	358.02	5.71	-46.80
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300008143274	0	46	-1.0	-47.62	375.69	6.19	-41.43
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C1	REAL300008143275	0	47	-1.0	-60.00	383.90	3.89	-56.11
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300008143276	0	42	-1.0	-54.65	375.43	6.69	-47.96
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300008143277	0	43	-1.0	-53.72	350.44	5.69	-48.03
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=C(OC)C=C2C(C)C)C1	REAL300008143278	0	52	-1.0	-47.26	404.24	7.40	-39.86
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C1	REAL300008143279	0	46	-1.0	-59.86	377.43	7.22	-52.64
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C1	REAL300008143280	0	44	-1.0	-51.91	362.00	6.38	-45.53
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C1	REAL300008143281	0	44	-1.0	-53.54	377.26	5.44	-48.10
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300008143282	0	42	-1.0	-59.20	362.26	6.41	-52.79
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3N=CC=CN3N=C2C)C1	REAL300008143283	0	41	-1.0	-58.76	348.41	5.34	-53.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=NN2CC)C1	REAL300008143284	0	38	-1.0	-49.81	320.67	3.06	-46.75
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300008143285	0	45	-1.0	-55.30	354.31	5.74	-49.56
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300008143286	0	37	-1.0	-51.28	323.46	4.57	-46.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300008143287	0	39	-1.0	-56.44	349.20	7.28	-49.16
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C3CC3)=NN2C)C1	REAL300008143288	0	43	-1.0	-46.68	360.09	5.47	-41.21
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)C1	REAL300008143289	0	45	-1.0	-45.51	356.79	7.80	-37.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC)=C2OC)C1	REAL300008143290	0	44	-1.0	-49.39	359.96	5.65	-43.74
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300008143291	0	39	-1.0	-49.17	335.03	5.91	-43.26
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C1	REAL300008143292	0	49	-1.0	-57.03	390.14	6.41	-50.62
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C1	REAL300008143293	0	48	-1.0	-55.95	387.76	6.39	-49.56
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CCCC)N=C2C)C1	REAL300008143294	0	48	-1.0	-49.68	390.26	6.32	-43.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2C2CC2)C1	REAL300008143295	0	43	-1.0	-56.89	357.80	5.46	-51.43
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300008143296	0	40	-1.0	-47.24	342.99	5.16	-42.08
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C1	REAL300008143297	0	41	-1.0	-57.77	349.46	4.23	-53.54
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC(C)(C)C2)C1	REAL300008143298	0	47	-1.0	-56.65	357.93	6.20	-50.45
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2C2CCC2)C1	REAL300008143299	0	46	-1.0	-53.90	369.11	5.76	-48.14
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)C1	REAL300008143300	0	54	-1.0	-58.20	416.85	9.37	-48.83
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300008143301	0	46	-1.0	-55.97	382.55	6.43	-49.54
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300008143302	0	40	-1.0	-59.84	348.34	6.88	-52.96
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300008143303	0	47	-1.0	-49.71	402.86	8.65	-41.06
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(OC)C=CC3=CC=CN=C32)C1	REAL300008143304	0	45	-1.0	-61.85	374.26	6.96	-54.89
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(CCC)=C2)C1	REAL300008143305	0	45	-1.0	-52.57	374.06	8.00	-44.57
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3CCCC3=NN2C)C1	REAL300008143306	0	43	-1.0	-50.38	351.22	5.19	-45.19
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C1	REAL300008143307	0	42	-1.0	-45.39	332.08	5.02	-40.37
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=CC=C2C)C1	REAL300008143308	0	42	-1.0	-45.26	326.84	7.04	-38.22
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C(C)(C)C)C1	REAL300008143309	0	45	-1.0	-47.35	349.21	5.35	-42.00
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C1	REAL300008143310	0	45	-1.0	-55.61	373.09	5.50	-50.11
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300008143311	0	43	-1.0	-55.88	350.62	4.62	-51.26
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C1	REAL300008143312	0	41	-1.0	-45.21	359.73	5.58	-39.63
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300008143313	0	39	-1.0	-42.04	352.86	6.79	-35.25
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=NN2C)C1	REAL300008143314	0	39	-1.0	-51.80	329.73	4.04	-47.76
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C)=C2C)C1	REAL300008143315	0	42	-1.0	-56.79	336.48	6.81	-49.98
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)CCC)=C2)C1	REAL300008143316	0	47	-1.0	-52.66	393.40	7.79	-44.87
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300008143317	0	47	-1.0	-53.65	375.40	8.80	-44.85
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300008143318	0	42	-1.0	-45.16	366.17	6.62	-38.54
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300008143319	0	42	-1.0	-47.68	351.22	6.20	-41.48
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCC2)C1	REAL300008143320	0	41	-1.0	-44.92	324.43	4.72	-40.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300008143321	0	43	-1.0	-47.79	356.86	3.95	-43.84
C=CCC1(C(=O)[O-])CCN(C(=O)N2CCC(F)(F)CC2)C1	REAL300008143322	0	40	-1.0	-48.77	311.48	7.20	-41.57
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300008143323	0	36	-1.0	-62.50	333.29	6.10	-56.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300008143324	0	43	-1.0	-46.58	356.93	7.83	-38.75
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(OC)SC=C2)C1	REAL300008143325	0	37	-1.0	-58.92	329.68	4.36	-54.56
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300008143326	0	46	-1.0	-49.06	371.51	6.31	-42.75
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C(C)CC)C1	REAL300008143327	0	45	-1.0	-47.56	366.94	5.59	-41.97
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C(C)(C)C)C1	REAL300008143328	0	43	-1.0	-43.63	325.61	4.70	-38.93
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC)O2)C1	REAL300008143329	0	39	-1.0	-47.26	331.11	5.22	-42.04
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCCCCC2)C1	REAL300008143330	0	50	-1.0	-43.72	372.67	6.55	-37.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C1	REAL300008143331	0	50	-1.0	-50.03	397.64	4.53	-45.50
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C1	REAL300008143332	0	42	-1.0	-53.35	362.88	7.32	-46.03
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300008143333	0	40	-1.0	-48.92	348.09	5.33	-43.59
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300008143334	0	51	-1.0	-55.50	403.37	8.40	-47.10
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)S2)C1	REAL300008143335	0	37	-1.0	-51.77	330.52	4.16	-47.61
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C1	REAL300008143336	0	47	-1.0	-54.35	375.08	7.89	-46.46
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300008143337	0	44	-1.0	-52.55	360.34	5.78	-46.77
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300008143338	0	39	-1.0	-45.82	340.39	4.44	-41.38
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(COCC)=C2)C1	REAL300008143339	0	46	-1.0	-54.17	386.60	6.48	-47.69
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C1	REAL300008143340	0	46	-1.0	-48.04	387.47	7.02	-41.02
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300008143341	0	49	-1.0	-48.31	394.10	6.69	-41.62
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300008143342	0	47	-1.0	-46.30	392.45	8.43	-37.87
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300008143343	0	39	-1.0	-45.97	322.94	6.59	-39.38
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(C)=C2)C1	REAL300008143344	0	38	-1.0	-54.85	325.03	4.61	-50.24
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C1	REAL300008143345	0	45	-1.0	-59.62	361.98	8.31	-51.31
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C1	REAL300008143346	0	46	-1.0	-53.94	380.09	6.90	-47.04
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CC2C3)C1	REAL300008143347	0	39	-1.0	-46.18	319.38	4.63	-41.55
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300008143348	0	40	-1.0	-46.43	342.05	6.85	-39.58
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCCOCC)C1	REAL300008143349	0	42	-1.0	-45.58	344.64	4.11	-41.47
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300008143350	0	41	-1.0	-51.09	347.61	-0.51	-51.60
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300008143351	0	39	-1.0	-53.97	335.13	6.20	-47.77
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300008143352	0	42	-1.0	-45.99	336.17	6.06	-39.93
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300008143353	0	38	-1.0	-56.37	339.53	5.17	-51.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300008143354	0	44	-1.0	-45.78	358.57	2.78	-43.00
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2COCCO2)C1	REAL300008143355	0	41	-1.0	-45.18	336.13	3.11	-42.07
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)C1	REAL300008143356	0	45	-1.0	-50.20	381.95	4.63	-45.57
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300008143357	0	53	-1.0	-44.53	384.75	8.62	-35.91
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCN2C=NN=N2)C1	REAL300008143358	0	37	-1.0	-60.86	321.46	3.61	-57.25
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CC(C)(C)CO2)C1	REAL300008143359	0	46	-1.0	-58.77	367.09	4.98	-53.79
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300008143360	0	39	-1.0	-63.61	337.67	1.41	-62.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC(C)(C)C(C)(F)F)C1	REAL300008143361	0	44	-1.0	-46.57	342.76	6.07	-40.50
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCCCS(C)(=O)=O)C1	REAL300008143362	0	44	-1.0	-56.81	374.25	2.40	-54.41
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCC(C)(C)CO2)C1	REAL300008143363	0	49	-1.0	-62.91	385.00	5.99	-56.92
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300008143364	0	46	-1.0	-59.39	379.06	8.10	-51.29
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300008143365	0	40	-1.0	-53.70	351.75	4.64	-49.06
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300008143366	0	46	-1.0	-45.01	389.69	8.59	-36.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300008143367	0	45	-1.0	-49.66	356.79	3.42	-46.24
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2(CCOC)CC2)C1	REAL300008143368	0	43	-1.0	-59.02	345.87	5.00	-54.02
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NN(CC)N=C2)C1	REAL300008143369	0	38	-1.0	-55.32	329.29	2.64	-52.68
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300008143370	0	49	-1.0	-58.16	375.44	7.76	-50.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300008143371	0	40	-1.0	-47.13	352.58	7.09	-40.04
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C(C)=CC2=CC=C(OC)C=C2)C1	REAL300008143372	0	47	-1.0	-47.02	380.21	6.66	-40.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2COC[C@H]2OC)C1	REAL300008143373	0	41	-1.0	-56.40	333.47	2.59	-53.81
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2CC)C1	REAL300008143374	0	39	-1.0	-55.64	326.95	3.36	-52.28
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(OC)C(OC)=CS2)C1	REAL300008143375	0	41	-1.0	-50.27	358.67	4.51	-45.76
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300008143376	0	48	-1.0	-55.20	368.40	6.24	-48.96
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC2=CC=CC=C2)C1	REAL300008143377	0	47	-1.0	-46.91	378.97	7.32	-39.59
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300008143378	0	40	-1.0	-48.86	353.07	6.67	-42.19
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=C(OC)C=C2F)C1	REAL300008143379	0	40	-1.0	-47.99	341.73	5.17	-42.82
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300008143380	0	40	-1.0	-48.22	354.31	5.40	-42.82
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3C=CC=CC3=NN2C)C1	REAL300008143381	0	42	-1.0	-47.57	350.77	5.63	-41.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C1	REAL300008143382	0	43	-1.0	-59.18	362.29	7.55	-51.63
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(C3=CC=CC=C3)N=C2C)C1	REAL300008143383	0	49	-1.0	-55.18	402.37	8.20	-46.98
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300008143384	0	47	-1.0	-53.95	398.36	8.64	-45.31
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C1	REAL300008143385	0	42	-1.0	-51.53	341.80	7.32	-44.21
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300008143386	0	37	-1.0	-55.71	345.43	4.61	-51.10
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OCC(=C)C)=C2)C1	REAL300008143387	0	47	-1.0	-48.63	392.16	7.36	-41.27
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC)N=C2C2CC2)C1	REAL300008143388	0	46	-1.0	-56.66	379.34	6.32	-50.34
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C1	REAL300008143389	0	40	-1.0	-46.57	335.80	4.72	-41.85
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300008143390	0	42	-1.0	-45.71	370.36	8.52	-37.19
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300008143391	0	35	-1.0	-44.55	332.36	3.61	-40.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=NN2C2CCCC2)C1	REAL300008143392	0	49	-1.0	-49.49	393.49	6.90	-42.59
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)OC=C2)C1	REAL300008143393	0	33	-1.0	-46.08	301.54	4.07	-42.01
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300008143394	0	33	-1.0	-53.42	319.16	5.36	-48.06
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(CCOC)=CC=C2OC)C1	REAL300008143395	0	50	-1.0	-61.55	410.87	6.22	-55.33
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300008143396	0	42	-1.0	-54.93	358.95	8.29	-46.64
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3COCCC3=NN2C)C1	REAL300008143397	0	44	-1.0	-50.17	357.20	3.39	-46.78
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300008143398	0	43	-1.0	-54.96	341.77	7.48	-47.48
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300008143399	0	47	-1.0	-54.01	360.30	5.83	-48.18
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300008143400	0	51	-1.0	-45.90	405.62	5.96	-39.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CN=C2OC)C1	REAL300008143401	0	39	-1.0	-46.85	347.15	3.51	-43.34
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(OC)C(C)=C2)C1	REAL300008143402	0	42	-1.0	-50.38	356.94	3.21	-47.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(C)C)N=C2)C1	REAL300008143403	0	45	-1.0	-46.72	370.66	5.89	-40.83
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C(C)C)N=C2C)C1	REAL300008143404	0	45	-1.0	-50.19	365.95	5.29	-44.90
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300008143405	0	46	-1.0	-53.92	363.31	2.98	-50.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC(COC)=C2)C1	REAL300008143406	0	42	-1.0	-61.30	359.12	3.56	-57.74
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)C1	REAL300008143407	0	47	-1.0	-53.29	382.07	6.19	-47.10
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C(C)C)C1	REAL300008143408	0	42	-1.0	-45.50	344.46	4.85	-40.65
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300008143409	0	43	-1.0	-49.58	353.74	5.95	-43.63
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300008143410	0	43	-1.0	-51.12	355.56	6.56	-44.56
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300008143411	0	38	-1.0	-54.59	339.75	4.82	-49.77
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300008143412	0	41	-1.0	-50.78	342.85	6.11	-44.67
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C1	REAL300008143413	0	45	-1.0	-45.55	360.48	5.27	-40.28
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300008143414	0	41	-1.0	-54.44	345.01	6.15	-48.29
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=C(C)C=C2C)C1	REAL300008143415	0	41	-1.0	-48.20	334.58	5.10	-43.10
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC=C2C)C1	REAL300008143416	0	38	-1.0	-55.09	313.49	4.54	-50.55
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300008143417	0	39	-1.0	-54.63	339.92	5.47	-49.16
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)C1	REAL300008143418	0	44	-1.0	-62.37	366.00	1.56	-60.81
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300008143419	0	43	-1.0	-53.46	330.07	3.44	-50.02
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C#N)CC2)C1	REAL300008143420	0	42	-1.0	-59.77	346.11	5.22	-54.55
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(OC)=CC=N2)C1	REAL300008143421	0	39	-1.0	-48.95	334.08	3.11	-45.84
C=CCN(CC=C)S(=O)(=O)N1CCC(CC=C)(C(=O)[O-])C1	REAL300008143422	0	42	-1.0	-44.59	345.60	5.57	-39.02
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C=C2C(F)F)C1	REAL300008143423	0	43	-1.0	-48.44	354.11	6.08	-42.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C=N2)C1	REAL300008143424	0	39	-1.0	-54.44	335.09	3.17	-51.27
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2C)C1	REAL300008143425	0	38	-1.0	-50.79	320.09	4.74	-46.05
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CN=C2OC)C1	REAL300008143426	0	42	-1.0	-46.98	369.54	4.01	-42.97
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300008143427	0	41	-1.0	-56.08	341.72	5.97	-50.11
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2OCC)C1	REAL300008143428	0	42	-1.0	-55.06	354.67	4.90	-50.16
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C1	REAL300008143429	0	44	-1.0	-54.84	362.08	7.28	-47.56
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC(C)=C2)C1	REAL300008143430	0	38	-1.0	-47.13	325.61	4.61	-42.52
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC=C32)C1	REAL300008143431	0	40	-1.0	-59.07	338.72	5.61	-53.46
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(F)(F)C2)C1	REAL300008143432	0	38	-1.0	-44.50	320.14	4.10	-40.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CS2)C1	REAL300008143433	0	32	-1.0	-54.96	296.93	2.96	-52.00
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300008143434	0	38	-1.0	-62.70	338.79	4.82	-57.88
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C1	REAL300008143435	0	49	-1.0	-56.26	394.30	7.89	-48.37
C=CCC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300008143436	0	42	-1.0	-48.85	363.99	7.54	-41.31
C=CCC(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008143437	0	42	-1.0	-53.97	363.99	7.52	-46.45
C=CCC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=CC=CC=C1	REAL300008143438	0	45	-1.0	-55.80	375.61	8.91	-46.89
C=CCC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C1=CC=CC=C1	REAL300008143439	0	46	-1.0	-56.06	384.39	7.35	-48.71
C=CCC(CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008143440	0	45	-1.0	-52.02	380.22	8.14	-43.88
C=CCC(CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CC=C1	REAL300008143441	0	39	-1.0	-46.54	347.35	7.39	-39.15
C=CCC(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008143442	0	42	-1.0	-53.97	363.99	7.52	-46.45
C=CCC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300008143443	0	42	-1.0	-48.85	363.99	7.54	-41.31
C=CCC(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008143444	0	42	-1.0	-49.67	353.48	8.48	-41.19
C=CCC(CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008143445	0	40	-1.0	-51.29	352.70	5.33	-45.96
C=CCC(CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=CC=C1	REAL300008143446	0	42	-1.0	-51.91	368.74	5.73	-46.18
C=CCC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300008143447	0	39	-1.0	-47.81	356.44	6.74	-41.07
C=CCC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008143448	0	39	-1.0	-52.68	340.10	4.55	-48.13
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300008143565	0	39	-1.0	-47.17	317.46	6.71	-40.46
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300008143569	0	37	-1.0	-41.86	308.78	5.11	-36.75
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008143570	0	40	-1.0	-44.87	326.51	4.95	-39.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(COC)C=C1	REAL300008143571	0	41	-1.0	-42.04	336.11	4.13	-37.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)N=C1	REAL300008143572	0	40	-1.0	-41.98	330.00	1.92	-40.06
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008143573	0	43	-1.0	-52.35	366.07	2.61	-49.74
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300008143574	0	39	-1.0	-47.06	329.31	0.50	-46.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300008143575	0	44	-1.0	-55.96	340.93	5.47	-50.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008143576	0	39	-1.0	-43.86	331.94	5.17	-38.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008143577	0	37	-1.0	-39.58	325.56	5.80	-33.78
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008143578	0	39	-1.0	-45.25	323.43	4.82	-40.43
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300008143579	0	44	-1.0	-60.52	348.93	0.32	-60.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCOCC1	REAL300008143580	0	43	-1.0	-55.92	313.86	2.38	-53.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300008143581	0	43	-1.0	-57.83	354.26	5.84	-51.99
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300008143582	0	43	-1.0	-43.86	338.41	4.16	-39.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)N=C1	REAL300008143583	0	40	-1.0	-43.76	327.73	3.48	-40.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300008143584	0	43	-1.0	-48.23	342.05	6.54	-41.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)C=N1	REAL300008143585	0	40	-1.0	-49.02	322.92	5.94	-43.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC(C(C)C)=N1	REAL300008143586	0	40	-1.0	-49.53	321.09	4.00	-45.53
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008143587	0	46	-1.0	-44.18	335.16	7.07	-37.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008143588	0	42	-1.0	-49.75	347.29	3.82	-45.93
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300008143589	0	42	-1.0	-54.47	352.85	4.61	-49.86
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300008143590	0	37	-1.0	-41.31	321.98	5.64	-35.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C	REAL300008143591	0	37	-1.0	-52.93	300.03	5.62	-47.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008143592	0	40	-1.0	-53.77	335.44	7.44	-46.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008143593	0	39	-1.0	-49.44	331.79	6.91	-42.53
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008143594	0	38	-1.0	-43.24	327.94	4.10	-39.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008143595	0	41	-1.0	-44.66	339.24	6.20	-38.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300008143596	0	49	-1.0	-45.91	376.89	5.66	-40.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008143597	0	37	-1.0	-42.79	313.22	5.27	-37.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300008143598	0	45	-1.0	-45.11	358.17	4.30	-40.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300008144001	0	42	-1.0	-43.79	351.46	4.10	-39.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008144002	0	40	-1.0	-44.73	335.94	5.03	-39.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300008144003	0	39	-1.0	-53.50	321.65	3.69	-49.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008144004	0	43	-1.0	-54.86	315.79	4.90	-49.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300008144005	0	38	-1.0	-54.68	334.93	5.29	-49.39
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008144006	0	35	-1.0	-38.67	297.20	3.22	-35.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008144007	0	37	-1.0	-44.18	319.77	5.94	-38.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300008144008	0	41	-1.0	-45.77	329.75	4.13	-41.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300008144009	0	43	-1.0	-42.23	332.67	6.61	-35.62
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300008144010	0	42	-1.0	-46.70	338.59	4.37	-42.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300008144011	0	37	-1.0	-54.58	310.07	5.02	-49.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300008144012	0	47	-1.0	-55.17	365.95	5.47	-49.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300008144013	0	46	-1.0	-44.53	359.20	4.92	-39.61
CCCCN1C=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C(C)=N1	REAL300008144014	0	46	-1.0	-54.04	367.22	5.37	-48.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300008144015	0	41	-1.0	-55.47	333.65	4.51	-50.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008144016	0	38	-1.0	-44.09	320.27	3.97	-40.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300008144017	0	39	-1.0	-49.40	319.54	2.90	-46.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300008144018	0	40	-1.0	-56.01	334.47	6.82	-49.19
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCC(C)(C)C1	REAL300008144019	0	45	-1.0	-40.13	334.17	5.27	-34.86
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008144020	0	40	-1.0	-40.02	349.28	5.52	-34.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300008144021	0	44	-1.0	-55.13	350.87	4.99	-50.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300008144022	0	52	-1.0	-58.29	391.01	8.61	-49.68
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008144023	0	40	-1.0	-38.06	353.70	6.33	-31.73
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008144024	0	44	-1.0	-47.27	355.72	4.96	-42.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008144025	0	38	-1.0	-43.28	310.82	5.58	-37.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008144026	0	45	-1.0	-42.31	372.22	7.56	-34.75
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300008144027	0	43	-1.0	-51.66	346.66	5.75	-45.91
CCCC1=CC=CC(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])=C1	REAL300008144028	0	43	-1.0	-41.99	346.89	6.66	-35.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCC2=NN1C	REAL300008144029	0	41	-1.0	-46.27	329.63	4.14	-42.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300008144030	0	43	-1.0	-49.49	321.65	4.50	-44.99
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300008144031	0	43	-1.0	-46.13	346.27	4.03	-42.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300008144032	0	41	-1.0	-53.61	325.41	3.65	-49.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300008144033	0	39	-1.0	-41.61	332.01	4.14	-37.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008144034	0	37	-1.0	-37.53	326.46	5.45	-32.08
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])=C1	REAL300008144035	0	45	-1.0	-48.69	367.06	6.48	-42.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008144036	0	45	-1.0	-45.28	355.87	7.44	-37.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008144037	0	40	-1.0	-41.29	343.24	5.47	-35.82
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008144038	0	40	-1.0	-42.47	321.88	5.34	-37.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008144039	0	41	-1.0	-45.61	333.27	2.87	-42.74
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008144040	0	34	-1.0	-54.76	297.20	5.00	-49.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008144041	0	41	-1.0	-42.25	331.72	6.55	-35.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)SC=C1	REAL300008144042	0	35	-1.0	-42.27	297.16	3.25	-39.02
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008144043	0	44	-1.0	-43.40	337.71	4.91	-38.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)CC	REAL300008144044	0	43	-1.0	-43.50	336.29	4.11	-39.39
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCCC1	REAL300008144045	0	48	-1.0	-55.29	343.78	5.96	-49.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300008144046	0	48	-1.0	-55.22	373.48	3.62	-51.60
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300008144047	0	40	-1.0	-38.91	335.72	5.97	-32.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008144048	0	38	-1.0	-44.81	321.73	4.03	-40.78
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008144049	0	49	-1.0	-40.26	375.31	7.55	-32.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)S1	REAL300008144050	0	35	-1.0	-41.47	306.60	2.95	-38.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300008144051	0	45	-1.0	-50.86	345.92	6.37	-44.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008144052	0	42	-1.0	-37.13	335.45	5.03	-32.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CCF)N=C1	REAL300008144053	0	37	-1.0	-42.62	314.43	3.01	-39.61
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(COCC)=C1	REAL300008144054	0	44	-1.0	-44.75	359.40	5.14	-39.61
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300008144055	0	44	-1.0	-47.00	363.58	5.83	-41.17
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008144056	0	47	-1.0	-44.51	369.36	5.34	-39.17
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008144057	0	45	-1.0	-43.96	370.23	7.34	-36.62
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CF	REAL300008144058	0	37	-1.0	-59.04	300.41	5.72	-53.32
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300008144059	0	40	-1.0	-40.58	340.23	6.20	-34.38
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300008144060	0	43	-1.0	-59.11	339.22	7.65	-51.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300008144061	0	44	-1.0	-52.11	361.48	5.76	-46.35
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008144062	0	38	-1.0	-41.33	322.64	5.81	-35.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008144063	0	38	-1.0	-40.86	337.68	6.35	-34.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008144064	0	38	-1.0	-41.09	337.52	6.37	-34.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008144065	0	39	-1.0	-40.35	323.43	-1.58	-41.93
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008144066	0	37	-1.0	-52.73	298.86	4.61	-48.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCC(F)(F)CC1	REAL300008144067	0	40	-1.0	-58.20	314.74	5.15	-53.05
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008144068	0	36	-1.0	-46.14	313.39	3.84	-42.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCOC1CCOC1	REAL300008144069	0	42	-1.0	-46.00	335.88	1.67	-44.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300008144070	0	43	-1.0	-50.78	353.03	5.08	-45.70
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300008144070	1	42	-2.0	-136.84	360.35	3.45	-133.39
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008144071	0	51	-1.0	-41.59	357.89	7.36	-34.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CC(C)(C)CO1	REAL300008144072	0	44	-1.0	-43.18	340.74	3.97	-39.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300008144073	0	37	-1.0	-43.35	312.04	0.16	-43.19
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300008144074	0	42	-1.0	-45.55	319.55	4.94	-40.61
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300008144075	0	42	-1.0	-53.50	350.81	1.29	-52.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300008144076	0	47	-1.0	-42.53	355.14	4.59	-37.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008144077	0	44	-1.0	-40.59	351.14	6.76	-33.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008144078	0	38	-1.0	-46.42	328.58	3.49	-42.93
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008144079	0	44	-1.0	-41.94	363.42	7.36	-34.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008144080	0	43	-1.0	-42.24	332.83	2.04	-40.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008144081	0	47	-1.0	-40.63	348.62	6.48	-34.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008144082	0	38	-1.0	-41.90	326.62	5.80	-36.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008144083	0	56	-1.0	-44.28	412.18	8.62	-35.66
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300008144084	0	45	-1.0	-42.10	350.41	5.39	-36.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300008144085	0	39	-1.0	-42.16	336.02	3.15	-39.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008144086	0	46	-1.0	-55.03	328.77	5.34	-49.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300008144087	0	45	-1.0	-56.05	352.68	6.83	-49.22
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008144088	0	38	-1.0	-43.82	327.14	5.18	-38.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300008144089	0	38	-1.0	-43.13	319.96	4.01	-39.12
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300008144089	1	37	-2.0	-127.67	321.66	4.04	-123.63
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008144090	0	38	-1.0	-43.13	327.90	4.10	-39.03
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300008144091	0	40	-1.0	-47.08	326.86	4.67	-42.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300008144092	0	41	-1.0	-48.36	336.50	6.23	-42.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008144093	0	43	-1.0	-45.38	359.84	4.86	-40.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300008144094	0	47	-1.0	-50.68	370.67	6.61	-44.07
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008144095	0	45	-1.0	-44.60	370.23	7.25	-37.35
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300008144096	0	40	-1.0	-63.55	314.28	6.57	-56.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008144097	0	35	-1.0	-42.42	316.08	3.39	-39.03
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])=C1	REAL300008144098	0	45	-1.0	-45.34	366.15	6.08	-39.26
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300008144099	0	44	-1.0	-55.28	355.07	5.37	-49.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300008144100	0	38	-1.0	-48.03	311.04	3.31	-44.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008144101	0	40	-1.0	-41.24	345.09	7.22	-34.02
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008144102	0	44	-1.0	-42.53	373.74	8.38	-34.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008144103	0	33	-1.0	-42.53	309.89	2.43	-40.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(CC)=C1	REAL300008144104	0	40	-1.0	-39.92	340.06	6.25	-33.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300008144105	0	47	-1.0	-44.95	370.63	5.75	-39.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CS1	REAL300008144106	0	31	-1.0	-38.52	290.53	4.06	-34.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300008144107	0	48	-1.0	-44.18	379.66	5.08	-39.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008144108	0	40	-1.0	-56.10	339.81	7.68	-48.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2COCCC2=NN1C	REAL300008144109	0	42	-1.0	-45.63	332.85	2.36	-43.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008144110	0	41	-1.0	-46.63	326.71	6.74	-39.89
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C)(C)CC1	REAL300008144111	0	45	-1.0	-55.48	328.96	4.76	-50.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008144112	0	49	-1.0	-43.29	382.62	4.84	-38.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300008144113	0	37	-1.0	-41.23	316.76	2.29	-38.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300008144114	0	40	-1.0	-43.34	328.40	1.75	-41.59
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300008144115	0	43	-1.0	-42.34	345.93	4.53	-37.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300008144116	0	43	-1.0	-54.14	342.91	4.35	-49.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008144117	0	44	-1.0	-58.89	337.86	2.53	-56.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC(COC)=C1	REAL300008144118	0	40	-1.0	-47.14	335.40	2.36	-44.78
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008144119	0	39	-1.0	-56.42	331.00	6.87	-49.55
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300008144120	0	45	-1.0	-56.62	347.46	5.37	-51.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)C	REAL300008144121	0	40	-1.0	-42.64	323.76	3.79	-38.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300008144122	0	41	-1.0	-44.53	338.67	4.91	-39.62
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008144123	0	41	-1.0	-48.55	333.69	5.84	-42.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008144124	0	36	-1.0	-57.63	305.13	3.98	-53.65
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300008144125	0	39	-1.0	-46.99	315.53	4.80	-42.19
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300008144126	0	43	-1.0	-57.65	341.80	4.29	-53.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300008144127	0	48	-1.0	-44.21	390.33	8.05	-36.16
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008144128	0	39	-1.0	-46.38	319.40	4.81	-41.57
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NC=C(C)C=C1C	REAL300008144129	0	39	-1.0	-46.53	308.70	5.27	-41.26
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC=C(Br)CC1	REAL300008144130	0	37	-1.0	-52.60	301.16	4.36	-48.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300008144131	0	42	-1.0	-65.25	324.67	0.19	-65.06
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC2CCC(C1)O2	REAL300008144132	0	41	-1.0	-59.33	311.40	3.10	-56.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C#N)CC1	REAL300008144133	0	40	-1.0	-38.20	317.95	4.36	-33.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=N1	REAL300008144134	0	37	-1.0	-45.53	309.17	1.84	-43.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300008144135	0	41	-1.0	-53.12	328.66	5.14	-47.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=N1	REAL300008144136	0	37	-1.0	-44.83	301.89	2.96	-41.87
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300008144137	0	40	-1.0	-41.04	339.97	2.82	-38.22
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008144138	0	39	-1.0	-54.67	317.18	5.20	-49.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1OCC	REAL300008144139	0	40	-1.0	-49.69	321.52	4.82	-44.87
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300008144140	0	42	-1.0	-48.91	332.32	6.19	-42.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008144141	0	38	-1.0	-57.06	314.71	4.73	-52.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(F)(F)C1	REAL300008144142	0	36	-1.0	-53.46	290.21	3.51	-49.95
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008144143	0	36	-1.0	-46.79	311.68	3.43	-43.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008144144	0	41	-1.0	-54.73	352.25	5.68	-49.05
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300008144145	0	47	-1.0	-60.32	366.27	6.55	-53.77
C=CCC(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300008144146	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-]	REAL300008144147	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-]	REAL300008144148	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-]	REAL300008144149	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-]	REAL300008144150	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-]	REAL300008144151	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-]	REAL300008144152	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-]	REAL300008144153	0	45	-1.0	-53.08	370.67	7.32	-45.76
C=CCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008144154	0	35	-1.0	-53.24	313.24	2.66	-50.58
C=CCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008144155	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-]	REAL300008144156	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-]	REAL300008144157	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-]	REAL300008144158	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-]	REAL300008144159	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-]	REAL300008144160	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-]	REAL300008144161	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-]	REAL300008144162	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-]	REAL300008144163	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-]	REAL300008144164	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-]	REAL300008144165	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-]	REAL300008144166	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-]	REAL300008144167	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-]	REAL300008144168	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-]	REAL300008144169	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-]	REAL300008144170	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-]	REAL300008144171	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-]	REAL300008144172	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-]	REAL300008144173	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-]	REAL300008144174	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-]	REAL300008144175	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-]	REAL300008144176	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-]	REAL300008144177	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-]	REAL300008144178	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-]	REAL300008144179	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-]	REAL300008144180	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-]	REAL300008144181	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-]	REAL300008144182	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-]	REAL300008144183	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-]	REAL300008144184	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-]	REAL300008144185	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-]	REAL300008144186	0	40	-1.0	-48.53	349.98	3.13	-45.40
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008156001	0	39	-1.0	-52.19	323.66	5.66	-46.53
COC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1[N+](=O)[O-]	REAL300008156002	0	41	-1.0	-49.90	344.85	6.25	-43.65
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156003	0	41	-1.0	-45.39	332.15	6.77	-38.62
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156004	0	41	-1.0	-44.70	331.56	6.76	-37.94
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1C(F)(F)F	REAL300008156005	0	41	-1.0	-47.06	343.70	6.96	-40.10
CC(C)C1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156006	0	44	-1.0	-50.63	336.84	7.41	-43.22
CCOC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156007	0	42	-1.0	-54.50	341.18	5.77	-48.73
COCCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=N1	REAL300008156008	0	42	-1.0	-52.82	348.60	3.11	-49.71
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008156009	0	42	-1.0	-55.26	354.34	6.03	-49.23
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008156010	0	43	-1.0	-53.31	363.50	7.69	-45.62
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008156011	0	40	-1.0	-51.18	331.01	5.91	-45.27
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008156012	0	38	-1.0	-51.33	334.39	6.83	-44.50
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300008156013	0	38	-1.0	-52.63	330.59	6.79	-45.84
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008156014	0	42	-1.0	-69.87	353.88	3.33	-66.54
CC1=CC(Br)=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156015	0	38	-1.0	-46.48	331.98	6.74	-39.74
CC1=C(Br)C=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156016	0	38	-1.0	-49.06	304.96	6.35	-42.71
COCC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156017	0	42	-1.0	-48.50	325.58	5.02	-43.48
COC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1Br	REAL300008156018	0	39	-1.0	-47.89	339.21	5.42	-42.47
COC1=CC(OC)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1Cl	REAL300008156019	0	43	-1.0	-47.69	357.14	5.18	-42.51
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008156020	0	38	-1.0	-57.11	333.78	4.61	-52.50
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008156021	0	38	-1.0	-56.11	326.77	4.39	-51.72
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008156022	0	46	-1.0	-50.33	366.70	6.72	-43.61
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008156023	0	38	-1.0	-58.73	323.76	4.71	-54.02
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156024	0	47	-1.0	-55.85	385.36	4.78	-51.07
CSC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156025	0	39	-1.0	-51.20	315.31	6.07	-45.13
CCC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156026	0	41	-1.0	-50.34	332.18	6.88	-43.46
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008156027	0	43	-1.0	-54.08	368.23	2.23	-51.85
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008156028	0	46	-1.0	-63.15	367.35	5.10	-58.05
CCC1=CC=C(CS(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156029	0	44	-1.0	-50.85	356.67	7.69	-43.16
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1=CC=CS1	REAL300008156030	0	38	-1.0	-50.52	324.82	6.09	-44.43
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156031	0	44	-1.0	-56.18	371.46	3.87	-52.31
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156032	0	45	-1.0	-55.71	372.41	2.84	-52.87
CC1=CC=C(CS(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C	REAL300008156033	0	44	-1.0	-53.07	351.51	7.42	-45.65
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C1=CC=CC=C1	REAL300008156034	0	49	-1.0	-49.90	397.47	8.52	-41.38
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008156035	0	39	-1.0	-51.93	333.97	6.11	-45.82
CC1=NOC(CS(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156036	0	37	-1.0	-54.39	310.71	4.40	-49.99
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008156037	0	49	-1.0	-51.19	402.82	7.49	-43.70
CC(C)N1N=CC2=CC(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)=CC=C21	REAL300008156038	0	47	-1.0	-51.58	380.00	7.01	-44.57
CCS(=O)(=O)NCCS(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156039	0	42	-1.0	-60.11	353.19	0.24	-59.87
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)OC2=CC=C(F)C=C12	REAL300008156040	0	41	-1.0	-52.16	342.00	6.76	-45.40
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008156041	0	38	-1.0	-49.37	344.91	7.40	-41.97
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=CC(Cl)=CC=C2S1	REAL300008156042	0	41	-1.0	-54.52	353.79	8.28	-46.24
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008156043	0	38	-1.0	-47.19	335.53	7.06	-40.13
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008156044	0	41	-1.0	-57.97	341.54	8.00	-49.97
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1CCCO1	REAL300008156045	0	42	-1.0	-53.32	331.17	4.34	-48.98
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008156046	0	41	-1.0	-52.32	342.70	7.35	-44.97
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008156047	0	46	-1.0	-51.70	371.17	6.86	-44.84
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008156048	0	48	-1.0	-56.78	396.53	7.02	-49.76
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008156049	0	46	-1.0	-58.53	389.34	2.56	-55.97
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CC(C)=C2S1	REAL300008156050	0	44	-1.0	-53.59	357.26	8.41	-45.18
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1N(C)C	REAL300008156051	0	46	-1.0	-48.18	363.89	6.10	-42.08
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008156052	0	41	-1.0	-48.76	351.42	7.46	-41.30
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008156053	0	40	-1.0	-51.30	325.88	2.40	-48.90
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCOCC1CCCC1	REAL300008156054	0	48	-1.0	-48.88	374.76	5.98	-42.90
COC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1Cl	REAL300008156055	0	42	-1.0	-51.79	337.89	5.59	-46.20
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008156056	0	44	-1.0	-61.89	373.79	3.73	-58.16
CSC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1Cl	REAL300008156057	0	39	-1.0	-51.60	344.50	6.92	-44.68
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156058	0	47	-1.0	-52.85	363.22	5.84	-47.01
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008156059	0	43	-1.0	-53.45	360.97	4.11	-49.34
CCC1=NOC2=NC=C(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)C=C12	REAL300008156060	0	42	-1.0	-47.44	350.53	3.16	-44.28
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008156061	0	40	-1.0	-52.63	333.63	4.59	-48.04
CCC1=CC(CC)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(CC)=C1	REAL300008156062	0	53	-1.0	-48.68	384.93	9.46	-39.22
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008156063	0	42	-1.0	-60.28	335.06	5.50	-54.78
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008156064	0	41	-1.0	-48.99	357.44	3.58	-45.41
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008156065	0	44	-1.0	-59.17	349.43	9.15	-50.02
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1F	REAL300008156066	0	42	-1.0	-51.47	327.73	5.09	-46.38
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1(C)CCCCC1	REAL300008156067	0	47	-1.0	-48.85	339.14	6.97	-41.88
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008156068	0	44	-1.0	-49.38	350.95	6.90	-42.48
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156069	0	53	0.0	-69.63	403.43	6.59	-63.04
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008156070	0	43	-1.0	-50.33	359.43	6.79	-43.54
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156071	0	42	-1.0	-47.48	361.07	5.69	-41.79
CC1=CC=C(CS(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(F)=C1	REAL300008156072	0	41	-1.0	-50.31	340.51	6.93	-43.38
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300008156073	0	47	0.0	-80.51	360.07	7.47	-73.04
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008156074	0	35	-1.0	-45.85	321.44	5.69	-40.16
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008156075	0	48	-1.0	-53.06	372.51	8.96	-44.10
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008156076	0	46	-1.0	-50.12	371.90	6.26	-43.86
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008156077	0	44	-1.0	-62.27	344.97	2.78	-59.49
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008156078	0	38	-1.0	-51.19	325.45	5.93	-45.26
CC1=C(CCS(=O)(=O)N2CC(C(=O)[O-])CCC2C)SC=N1	REAL300008156079	0	40	-1.0	-52.04	338.08	4.72	-47.32
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC12CCC(CC1)C2	REAL300008156080	0	45	-1.0	-52.67	332.74	7.06	-45.61
COC1=CC=C2C=C(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)CCC2=C1	REAL300008156081	0	47	-1.0	-51.68	372.83	7.20	-44.48
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1CCOC1	REAL300008156082	0	42	-1.0	-52.25	329.31	4.02	-48.23
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008156083	0	46	-1.0	-58.12	362.58	2.61	-55.51
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1CCCCC1(F)F	REAL300008156084	0	44	-1.0	-49.84	342.36	6.64	-43.20
CC1CCC(C(=O)[O-])CN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008156085	0	42	-1.0	-51.69	335.56	7.81	-43.88
CCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1[N+](=O)[O-]	REAL300008156086	0	43	-1.0	-57.42	351.72	7.35	-50.07
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008156087	0	35	-1.0	-48.41	298.43	6.08	-42.33
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008156088	0	35	-1.0	-48.26	303.00	6.19	-42.07
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008156089	0	37	-1.0	-48.49	309.93	6.23	-42.26
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008156090	0	41	-1.0	-51.05	335.23	7.74	-43.31
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008156091	0	37	-1.0	-57.35	318.05	6.21	-51.14
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156092	0	40	-1.0	-44.70	321.04	6.43	-38.27
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156093	0	39	-1.0	-50.34	311.19	4.86	-45.48
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008156094	0	37	-1.0	-64.99	295.76	6.39	-58.60
CCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156095	0	42	-1.0	-50.02	341.33	5.71	-44.31
CC1=CC(C)=C(C)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1C	REAL300008156096	0	47	-1.0	-50.40	346.93	8.01	-42.39
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1	REAL300008156097	0	44	-1.0	-50.44	324.96	7.38	-43.06
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156098	0	50	-1.0	-47.30	369.08	8.09	-39.21
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008156099	0	38	-1.0	-51.82	328.35	6.46	-45.36
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C=CC1=CC=CC=C1	REAL300008156100	0	39	-1.0	-50.20	321.24	6.68	-43.52
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008156101	0	38	-1.0	-51.20	310.47	6.67	-44.53
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008156102	0	35	-1.0	-51.68	306.56	6.06	-45.62
CC(=O)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156103	0	40	-1.0	-51.01	322.94	5.97	-45.04
CC1=CC=C(C)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156104	0	41	-1.0	-47.83	314.24	6.43	-41.40
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C	REAL300008156105	0	41	-1.0	-49.88	327.70	6.65	-43.23
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1	REAL300008156106	0	41	-1.0	-48.19	314.49	6.42	-41.77
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1[N+](=O)[O-]	REAL300008156107	0	41	-1.0	-59.30	344.79	6.19	-53.11
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008156108	0	47	-1.0	-50.35	357.91	7.89	-42.46
CC(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156109	0	44	-1.0	-50.49	341.93	7.49	-43.00
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300008156110	0	46	-1.0	-53.81	377.20	3.56	-50.25
CCCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156111	0	44	-1.0	-50.53	346.09	7.78	-42.75
COC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156112	0	39	-1.0	-50.80	311.70	5.31	-45.49
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1Br	REAL300008156113	0	39	-1.0	-51.92	339.20	5.42	-46.50
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1Br	REAL300008156114	0	38	-1.0	-47.23	328.78	6.65	-40.58
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)C=C2)=C1	REAL300008156115	0	49	-1.0	-49.92	400.09	9.01	-40.91
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008156116	0	39	-1.0	-48.75	327.69	5.36	-43.39
CC1=C(C)C(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1C	REAL300008156117	0	50	-1.0	-50.10	345.65	8.02	-42.08
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008156118	0	44	-1.0	-53.79	352.12	5.41	-48.38
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156119	0	51	-1.0	-49.95	387.90	7.63	-42.32
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1[N+](=O)[O-]	REAL300008156120	0	40	-1.0	-46.62	333.50	6.64	-39.98
COC1=CC=C(Br)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156121	0	39	-1.0	-47.43	333.00	5.94	-41.49
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156122	0	53	-1.0	-49.42	385.24	9.10	-40.32
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008156123	0	38	-1.0	-47.10	328.72	6.49	-40.61
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008156124	0	45	-1.0	-50.37	351.55	7.99	-42.38
COC1=CC=C(OC)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156125	0	43	-1.0	-50.29	341.16	4.61	-45.68
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1OC	REAL300008156126	0	43	-1.0	-51.89	348.02	4.67	-47.22
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008156127	0	42	-1.0	-49.61	334.83	7.36	-42.25
CC1=NOC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156128	0	37	-1.0	-48.95	292.86	4.26	-44.69
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008156129	0	43	-1.0	-49.74	344.48	7.90	-41.84
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008156130	0	40	-1.0	-50.22	325.21	5.30	-44.92
CC(C)CCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156131	0	50	-1.0	-50.44	385.16	9.07	-41.37
CCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1OCC	REAL300008156132	0	49	-1.0	-50.53	391.77	6.55	-43.98
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008156133	0	40	-1.0	-55.19	335.94	0.52	-54.67
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1C	REAL300008156134	0	43	-1.0	-54.47	338.22	6.98	-47.49
CC1=CC2=CC=CC(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)=C2N=C1	REAL300008156135	0	43	-1.0	-57.99	344.62	7.19	-50.80
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C([N+](=O)[O-])=C1	REAL300008156136	0	41	-1.0	-54.55	331.92	6.32	-48.23
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156137	0	39	-1.0	-47.71	328.44	5.83	-41.88
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008156138	0	40	-1.0	-55.61	343.53	0.41	-55.20
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CN=C12	REAL300008156139	0	43	-1.0	-51.81	339.23	6.71	-45.10
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C	REAL300008156140	0	43	-1.0	-56.51	341.01	8.22	-48.29
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008156141	0	46	-1.0	-54.27	384.04	3.49	-50.78
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008156142	0	47	-1.0	-64.31	375.26	4.84	-59.47
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008156143	0	41	-1.0	-56.51	349.99	2.98	-53.53
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008156144	0	45	-1.0	-52.31	355.08	9.18	-43.13
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008156145	0	41	-1.0	-53.65	324.03	7.78	-45.87
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008156146	0	45	-1.0	-50.67	364.17	8.90	-41.77
CC1=CC=C(F)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156147	0	38	-1.0	-45.10	299.21	5.83	-39.27
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008156148	0	49	-1.0	-51.39	377.44	7.62	-43.77
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008156149	0	36	-1.0	-56.30	310.98	3.88	-52.42
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156150	0	39	-1.0	-47.53	328.44	5.83	-41.70
COC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156151	0	39	-1.0	-54.43	319.32	4.84	-49.59
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156152	0	50	-1.0	-50.33	372.13	8.35	-41.98
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1Cl	REAL300008156153	0	38	-1.0	-51.39	324.79	6.61	-44.78
CC(C)OC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156154	0	45	-1.0	-49.97	359.25	6.33	-43.64
CCC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156155	0	41	-1.0	-49.89	315.50	7.07	-42.82
CC1=NC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CN1C	REAL300008156156	0	38	-1.0	-53.71	312.38	4.39	-49.32
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008156157	0	36	-1.0	-60.79	304.34	4.25	-56.54
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008156158	0	40	-1.0	-51.05	341.42	8.03	-43.02
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008156159	0	40	-1.0	-56.94	319.80	6.60	-50.34
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156160	0	41	-1.0	-47.46	339.93	5.98	-41.48
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1F	REAL300008156161	0	39	-1.0	-53.15	325.01	4.82	-48.33
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1F	REAL300008156162	0	38	-1.0	-52.17	316.05	6.21	-45.96
CC(C)OC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CC=C12	REAL300008156163	0	51	-1.0	-52.88	393.65	8.42	-44.46
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008156164	0	38	-1.0	-52.78	345.01	7.18	-45.60
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CC=C12	REAL300008156165	0	45	-1.0	-53.45	353.17	6.84	-46.61
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156166	0	40	-1.0	-45.78	321.28	6.42	-39.36
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156167	0	40	-1.0	-47.00	316.45	6.29	-40.71
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156168	0	43	-1.0	-54.85	343.84	7.74	-47.11
CC(C)CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156169	0	47	-1.0	-50.56	362.85	8.25	-42.31
COCCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156170	0	45	-1.0	-50.96	358.27	6.08	-44.88
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156171	0	38	-1.0	-45.00	309.56	6.28	-38.72
COC1=C(C)C=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C	REAL300008156172	0	45	-1.0	-50.80	363.41	6.43	-44.37
CC(C)CCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156173	0	51	-1.0	-49.44	401.89	7.81	-41.63
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008156174	0	49	-1.0	-50.68	376.88	7.81	-42.87
CC(C)COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156175	0	48	-1.0	-49.65	382.93	7.21	-42.44
CCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156176	0	45	-1.0	-49.62	362.83	6.51	-43.11
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1Cl	REAL300008156177	0	39	-1.0	-51.94	334.81	5.31	-46.63
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008156178	0	39	-1.0	-50.17	344.60	5.63	-44.54
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C	REAL300008156179	0	42	-1.0	-50.36	338.84	5.50	-44.86
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1OC(C)C	REAL300008156180	0	48	-1.0	-50.00	378.61	7.04	-42.96
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1	REAL300008156181	0	42	-1.0	-48.66	322.53	5.05	-43.61
COCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156182	0	46	-1.0	-52.32	374.96	4.98	-47.34
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=CC=C1F	REAL300008156183	0	38	-1.0	-55.14	319.09	6.26	-48.88
CC1=CC(Br)=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156184	0	38	-1.0	-45.51	314.37	6.37	-39.14
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1C	REAL300008156185	0	43	-1.0	-62.72	335.85	8.03	-54.69
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156186	0	44	-1.0	-53.23	353.52	3.28	-49.95
CC1=NC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300008156187	0	37	-1.0	-48.42	313.56	3.81	-44.61
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008156188	0	38	-1.0	-49.32	318.77	6.57	-42.75
COC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1F	REAL300008156189	0	39	-1.0	-48.76	325.01	4.82	-43.94
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008156190	0	45	-1.0	-53.71	363.48	8.87	-44.84
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008156191	0	38	-1.0	-49.10	347.25	7.24	-41.86
CC1=NC(C2=CC=C(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)S2)=CS1	REAL300008156192	0	41	-1.0	-51.09	368.30	6.05	-45.04
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008156193	0	55	-1.0	-49.52	416.28	9.18	-40.34
CNC(=O)C1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CN1C	REAL300008156194	0	43	-1.0	-52.60	353.21	3.12	-49.48
COC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1	REAL300008156195	0	45	-1.0	-50.49	333.00	6.01	-44.48
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008156196	0	46	-1.0	-51.70	373.06	9.61	-42.09
COC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C	REAL300008156197	0	45	-1.0	-49.84	342.09	6.12	-43.72
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CN=C2C=C1	REAL300008156198	0	43	-1.0	-52.75	324.74	6.40	-46.35
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008156199	0	40	-1.0	-57.32	315.20	5.88	-51.44
CCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C([N+](=O)[O-])=N1	REAL300008156200	0	40	-1.0	-63.47	326.78	5.89	-57.58
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008156201	0	42	-1.0	-51.75	360.90	6.17	-45.58
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008156202	0	49	-1.0	-51.15	401.24	8.76	-42.39
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156203	0	43	-1.0	-62.61	352.91	6.81	-55.80
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008156204	0	45	-1.0	-50.50	374.82	7.06	-43.44
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008156205	0	38	-1.0	-60.75	316.37	4.67	-56.08
CC1=CC=CC(CS(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156206	0	41	-1.0	-52.62	334.50	6.88	-45.74
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008156207	0	43	-1.0	-58.30	355.25	2.27	-56.03
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300008156208	0	38	-1.0	-51.77	319.50	6.28	-45.49
CC1=CC=CC=C1CS(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156209	0	41	-1.0	-51.55	320.82	6.84	-44.71
CCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CC=C12	REAL300008156210	0	48	-1.0	-52.46	374.18	8.05	-44.41
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156211	0	45	-1.0	-48.64	347.52	6.68	-41.96
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008156212	0	40	-1.0	-66.44	338.16	5.71	-60.73
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008156213	0	42	-1.0	-50.09	349.84	6.59	-43.50
CCOCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156214	0	49	-1.0	-52.39	396.81	5.95	-46.44
CCCCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156215	0	51	-1.0	-49.54	405.83	8.07	-41.47
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008156216	0	45	-1.0	-49.87	333.49	7.55	-42.32
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008156217	0	39	-1.0	-49.56	338.08	7.03	-42.53
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300008156218	0	40	-1.0	-49.86	324.81	4.79	-45.07
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008156219	0	43	-1.0	-56.96	352.99	6.75	-50.21
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008156220	0	40	-1.0	-57.44	337.60	5.68	-51.76
CCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1	REAL300008156221	0	45	-1.0	-49.47	343.74	5.97	-43.50
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008156222	0	39	-1.0	-48.21	321.48	5.58	-42.63
CSC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156223	0	39	-1.0	-49.79	321.90	6.59	-43.20
CCCCCCCS(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156224	0	46	-1.0	-50.95	360.68	7.09	-43.86
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008156225	0	41	-1.0	-51.76	351.82	7.21	-44.55
CCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)N=C1C	REAL300008156226	0	41	-1.0	-53.43	334.45	5.30	-48.13
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008156227	0	41	-1.0	-50.50	323.70	5.00	-45.50
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008156228	0	40	-1.0	-51.47	319.10	5.88	-45.59
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1CCCCO1	REAL300008156229	0	42	-1.0	-52.77	327.25	4.50	-48.27
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C(F)(F)F	REAL300008156230	0	41	-1.0	-46.26	343.71	6.97	-39.29
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008156231	0	41	-1.0	-47.13	362.11	6.22	-40.91
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008156232	0	44	-1.0	-51.03	354.66	7.14	-43.89
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)C=C12	REAL300008156233	0	43	-1.0	-50.74	356.14	5.27	-45.47
COCC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156234	0	42	-1.0	-52.77	344.35	5.17	-47.60
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008156235	0	46	-1.0	-53.68	360.60	6.84	-46.84
CCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=N1	REAL300008156236	0	38	-1.0	-54.59	315.91	4.11	-50.48
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008156237	0	38	-1.0	-53.48	321.04	6.78	-46.70
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008156238	0	43	-1.0	-54.66	346.89	6.17	-48.49
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008156239	0	38	-1.0	-52.51	340.14	7.10	-45.41
CC1CC2=CC(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)=CC=C2O1	REAL300008156240	0	43	-1.0	-49.34	346.24	6.06	-43.28
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156241	0	47	-1.0	-48.97	342.03	8.04	-40.93
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156242	0	47	-1.0	-53.96	365.06	3.85	-50.11
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008156243	0	41	-1.0	-50.05	355.27	6.17	-43.88
CC1=NC(C2=CC=C(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)C=C2)=CO1	REAL300008156244	0	44	-1.0	-56.26	366.38	4.56	-51.70
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008156245	0	38	-1.0	-58.29	308.20	3.82	-54.47
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C(C)O1	REAL300008156246	0	38	-1.0	-46.67	303.79	4.76	-41.91
CC1=CSC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156247	0	35	-1.0	-49.51	302.85	5.12	-44.39
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008156248	0	38	-1.0	-50.23	318.61	5.89	-44.34
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008156249	0	38	-1.0	-48.12	315.33	4.11	-44.01
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=N1	REAL300008156250	0	38	-1.0	-49.92	316.02	2.19	-47.73
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C2CCCN12	REAL300008156251	0	39	-1.0	-54.99	317.26	4.91	-50.08
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)SC=C1	REAL300008156252	0	35	-1.0	-48.78	294.18	5.20	-43.58
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008156253	0	43	-1.0	-50.65	342.97	6.08	-44.57
CC1=CC=C(N2C=C(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)C=N2)C=C1	REAL300008156254	0	45	-1.0	-50.61	370.81	7.29	-43.32
CC1CC2=CC(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)=CC(Cl)=C2O1	REAL300008156255	0	43	-1.0	-48.12	362.62	6.62	-41.50
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1[N+](=O)[O-]	REAL300008156256	0	40	-1.0	-47.21	333.49	6.63	-40.58
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=N1	REAL300008156257	0	46	-1.0	-57.17	376.58	6.26	-50.91
CC1=NN(C)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156258	0	38	-1.0	-51.84	299.06	3.59	-48.25
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)N(C)N=C1	REAL300008156259	0	38	-1.0	-47.63	290.87	3.46	-44.17
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008156260	0	37	-1.0	-52.13	321.81	5.03	-47.10
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300008156261	0	43	-1.0	-52.27	333.20	5.97	-46.30
CC1=CC2=CC=C(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)C=C2C=C1	REAL300008156262	0	44	-1.0	-51.96	356.62	8.44	-43.52
COC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)SC=C1	REAL300008156263	0	36	-1.0	-52.47	310.36	4.50	-47.97
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300008156264	0	43	-1.0	-51.48	341.78	5.87	-45.61
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008156265	0	40	-1.0	-53.66	321.75	5.34	-48.32
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008156266	0	40	-1.0	-58.15	337.13	5.58	-52.57
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008156267	0	40	-1.0	-54.55	325.08	5.30	-49.25
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008156268	0	41	-1.0	-51.30	351.32	7.52	-43.78
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008156269	0	47	-1.0	-51.33	363.50	6.00	-45.33
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008156270	0	37	-1.0	-49.93	324.33	4.81	-45.12
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156271	0	43	-1.0	-57.21	343.31	5.99	-51.22
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156272	0	43	-1.0	-53.23	337.83	6.96	-46.27
CC1=CC=C(C)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1[N+](=O)[O-]	REAL300008156273	0	43	-1.0	-51.11	340.32	8.33	-42.78
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1[N+](=O)[O-]	REAL300008156274	0	43	-1.0	-45.08	337.59	6.94	-38.14
COC1=CC=C(CCS(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156275	0	45	-1.0	-53.01	364.10	6.30	-46.71
COC1=CN=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156276	0	38	-1.0	-49.89	313.85	2.94	-46.95
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300008156277	0	44	-1.0	-48.90	361.85	7.14	-41.76
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008156278	0	42	-1.0	-50.25	338.55	7.61	-42.64
COC1=CC(OC)=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156279	0	43	-1.0	-53.27	348.81	4.15	-49.12
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1CCCCC1	REAL300008156280	0	47	-1.0	-50.61	355.37	7.17	-43.44
CC1=CC2=C(C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C)OCO2	REAL300008156281	0	41	-1.0	-46.55	319.02	4.41	-42.14
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008156282	0	38	-1.0	-54.38	315.24	5.78	-48.60
COC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1Cl	REAL300008156283	0	39	-1.0	-48.15	334.82	5.31	-42.84
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1CCCC1	REAL300008156284	0	44	-1.0	-50.64	338.89	6.58	-44.06
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=NC=CC=C2C=C1	REAL300008156285	0	43	-1.0	-53.52	338.11	6.93	-46.59
CCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1CC	REAL300008156286	0	47	-1.0	-51.09	366.38	8.07	-43.02
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156287	0	43	-1.0	-47.01	337.24	7.44	-39.57
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156288	0	45	-1.0	-55.39	348.42	7.01	-48.38
CC1=C(C)SC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156289	0	38	-1.0	-49.64	321.06	5.85	-43.79
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008156290	0	36	-1.0	-45.65	306.67	3.34	-42.31
CC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300008156291	0	34	-1.0	-49.36	298.59	3.31	-46.05
CCC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300008156292	0	37	-1.0	-47.75	319.29	4.04	-43.71
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(N)=NO1	REAL300008156293	0	36	-1.0	-50.38	296.02	2.87	-47.51
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300008156294	0	42	-1.0	-52.82	337.61	5.32	-47.50
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300008156295	0	38	-1.0	-49.98	316.70	5.95	-44.03
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008156296	0	41	-1.0	-59.19	338.90	6.77	-52.42
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008156297	0	38	-1.0	-51.71	308.26	4.05	-47.66
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC(C)=C1F	REAL300008156298	0	41	-1.0	-48.94	336.86	6.88	-42.06
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008156299	0	42	-1.0	-50.56	345.31	5.20	-45.36
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008156300	0	37	-1.0	-55.37	316.73	5.17	-50.20
COC(CS(=O)(=O)N1CC(C(=O)[O-])CCC1C)C1CC1	REAL300008156301	0	42	-1.0	-53.05	332.77	4.82	-48.23
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008156302	0	38	-1.0	-51.57	329.82	6.74	-44.83
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1Cl	REAL300008156303	0	38	-1.0	-47.22	324.75	6.55	-40.67
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008156304	0	41	-1.0	-51.80	337.39	6.46	-45.34
CC1=CSC(C2=CC=C(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)C=C2)=N1	REAL300008156305	0	44	-1.0	-49.33	376.22	6.97	-42.36
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008156306	0	43	-1.0	-52.56	333.37	6.63	-45.93
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008156307	0	42	-1.0	-58.24	354.37	3.32	-54.92
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008156308	0	44	-1.0	-54.67	345.15	5.82	-48.85
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008156309	0	38	-1.0	-51.18	332.97	6.73	-44.45
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156310	0	48	-1.0	-51.32	379.86	7.21	-44.11
COC(CS(=O)(=O)N1CC(C(=O)[O-])CCC1C)C1CCCC1	REAL300008156311	0	48	-1.0	-51.66	363.96	5.61	-46.05
COC(CS(=O)(=O)N1CC(C(=O)[O-])CCC1C)C1CCCCC1	REAL300008156312	0	51	-1.0	-52.02	379.23	6.88	-45.14
CCOC(CS(=O)(=O)N1CC(C(=O)[O-])CCC1C)C1CC1	REAL300008156313	0	45	-1.0	-53.47	353.81	5.98	-47.49
CCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C(C)C	REAL300008156314	0	54	-1.0	-49.84	420.74	8.50	-41.34
CCC1=NC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CN1CC1CC1	REAL300008156315	0	48	-1.0	-53.00	387.55	7.46	-45.54
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008156316	0	38	-1.0	-49.88	321.46	5.07	-44.81
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1[N+](=O)[O-]	REAL300008156317	0	43	-1.0	-54.01	341.77	7.29	-46.72
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300008156318	0	42	-1.0	-47.94	332.84	5.25	-42.69
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008156319	0	48	-1.0	-47.96	388.52	7.63	-40.33
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300008156320	0	38	-1.0	-44.00	322.35	4.12	-39.88
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008156321	0	46	-1.0	-53.15	389.90	9.55	-43.60
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008156322	0	45	-1.0	-56.06	349.51	8.60	-47.46
CCC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C(C)C=C1OC	REAL300008156323	0	48	-1.0	-47.31	364.17	6.53	-40.78
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008156324	0	37	-1.0	-60.78	313.32	4.34	-56.44
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CC=C2C=C1	REAL300008156325	0	44	-1.0	-54.22	337.40	8.41	-45.81
CC(C)OC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=N1	REAL300008156326	0	44	-1.0	-47.55	358.45	4.00	-43.55
COC1=C(F)C=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156327	0	39	-1.0	-53.07	321.54	5.47	-47.60
CCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C(C)C	REAL300008156328	0	51	-1.0	-49.65	399.29	7.75	-41.90
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008156329	0	47	-1.0	-51.53	367.55	7.76	-43.77
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008156330	0	54	-1.0	-52.79	409.32	10.18	-42.61
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008156331	0	45	-1.0	-49.91	339.33	5.61	-44.30
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008156332	0	47	-1.0	-49.86	356.99	5.67	-44.19
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008156333	0	45	-1.0	-52.80	357.30	5.90	-46.90
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008156334	0	38	-1.0	-44.67	307.70	4.25	-40.42
COC1=CC=C(F)C=C1CS(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156335	0	42	-1.0	-54.21	347.67	5.64	-48.57
C=CCCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156336	0	45	-1.0	-50.44	358.91	8.35	-42.09
CCC1=NN(C)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156337	0	41	-1.0	-52.08	322.75	4.40	-47.68
CCCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C(C)C	REAL300008156338	0	57	-1.0	-48.17	442.23	9.28	-38.89
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008156339	0	39	-1.0	-50.36	333.18	7.37	-42.99
CCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C(C)(C)C	REAL300008156340	0	57	-1.0	-48.29	433.29	9.17	-39.12
CCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1CC	REAL300008156341	0	51	-1.0	-50.64	403.87	8.02	-42.62
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156342	0	41	-1.0	-47.58	320.27	7.22	-40.36
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156343	0	41	-1.0	-48.82	350.75	7.44	-41.38
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008156344	0	39	-1.0	-52.68	330.69	7.28	-45.40
CCCC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156345	0	44	-1.0	-50.20	337.00	7.85	-42.35
COC1=NC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156346	0	38	-1.0	-51.77	306.08	2.74	-49.03
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156347	0	51	-1.0	-48.49	404.99	8.31	-40.18
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008156348	0	40	-1.0	-53.66	319.11	5.97	-47.69
CC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)N1C	REAL300008156349	0	38	-1.0	-52.54	304.58	4.33	-48.21
CC1=CSC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156350	0	38	-1.0	-47.79	310.52	6.16	-41.63
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008156351	0	42	-1.0	-52.61	339.18	5.14	-47.47
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300008156352	0	42	-1.0	-47.32	333.57	5.18	-42.14
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008156353	0	45	-1.0	-48.60	345.46	6.31	-42.29
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008156354	0	46	-1.0	-50.90	363.93	3.48	-47.42
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008156355	0	41	-1.0	-50.16	356.12	6.37	-43.79
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300008156356	0	42	-1.0	-53.20	330.82	5.58	-47.62
COC1=CC(C(C)C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C	REAL300008156357	0	51	-1.0	-51.07	386.41	7.44	-43.63
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156358	0	45	-1.0	-46.97	349.36	6.69	-40.28
CC1CC2=CC=CC(S(=O)(=O)N3CC(C(=O)[O-])CCC3C)=C2O1	REAL300008156359	0	43	-1.0	-54.62	342.74	6.10	-48.52
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300008156360	0	43	-1.0	-47.99	357.95	5.12	-42.87
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008156361	0	41	-1.0	-54.26	341.59	6.08	-48.18
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156362	0	40	-1.0	-59.86	330.51	5.14	-54.72
CCN1N=NC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156363	0	37	-1.0	-45.78	300.96	2.78	-43.00
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008156364	0	36	-1.0	-46.88	304.71	4.33	-42.55
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008156365	0	38	-1.0	-49.96	327.68	6.94	-43.02
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300008156366	0	42	-1.0	-47.43	337.06	5.06	-42.37
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=C1F	REAL300008156367	0	44	-1.0	-47.33	338.04	7.61	-39.72
COC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1OC	REAL300008156368	0	43	-1.0	-54.32	338.23	5.29	-49.03
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300008156369	0	38	-1.0	-52.28	314.81	5.61	-46.67
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300008156370	0	48	-1.0	-53.39	368.03	6.27	-47.12
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156371	0	47	-1.0	-48.05	366.09	6.01	-42.04
CCCCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C)=N1	REAL300008156372	0	47	-1.0	-51.42	363.58	6.00	-45.42
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300008156373	0	42	-1.0	-51.76	328.03	4.77	-46.99
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008156374	0	39	-1.0	-50.00	329.23	5.07	-44.93
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300008156375	0	40	-1.0	-67.46	331.22	3.95	-63.51
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1Br	REAL300008156376	0	41	-1.0	-45.16	332.37	6.95	-38.21
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008156377	0	41	-1.0	-49.91	357.59	6.64	-43.27
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300008156378	0	45	-1.0	-52.93	355.82	5.66	-47.27
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156379	0	53	-1.0	-50.91	397.07	9.33	-41.58
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008156380	0	45	-1.0	-53.38	363.28	6.10	-47.28
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008156381	0	39	-1.0	-52.89	325.80	6.87	-46.02
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008156382	0	46	-1.0	-47.25	374.90	8.13	-39.12
COC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=NC=CC=C2C=C1	REAL300008156383	0	44	-1.0	-65.20	354.27	6.70	-58.50
CCCC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156384	0	44	-1.0	-50.59	353.68	7.67	-42.92
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C2CCCC2=NN1C	REAL300008156385	0	42	-1.0	-49.21	333.94	5.03	-44.18
CC1=CC=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156386	0	41	-1.0	-50.51	303.55	6.72	-43.79
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300008156387	0	44	-1.0	-48.33	326.80	5.29	-43.04
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300008156388	0	44	-1.0	-52.94	353.79	5.18	-47.76
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300008156389	0	42	-1.0	-49.01	328.16	4.11	-44.90
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CN=C1C(F)(F)F	REAL300008156390	0	40	-1.0	-46.44	339.84	5.32	-41.12
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008156391	0	38	-1.0	-46.75	334.74	6.53	-40.22
CC1=NN(C)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156392	0	38	-1.0	-47.30	308.67	3.50	-43.80
CC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1C	REAL300008156393	0	41	-1.0	-50.58	309.57	6.64	-43.94
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156394	0	46	-1.0	-62.38	374.41	7.58	-54.80
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008156395	0	46	-1.0	-49.28	358.71	8.58	-40.70
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008156396	0	41	-1.0	-49.52	351.74	6.54	-42.98
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008156397	0	35	-1.0	-49.33	306.40	5.53	-43.80
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008156398	0	42	-1.0	-50.56	338.49	7.56	-43.00
COC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=CS1	REAL300008156399	0	36	-1.0	-52.19	305.01	4.06	-48.13
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008156400	0	45	-1.0	-47.87	352.76	6.02	-41.85
CCC(C)N1N=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156401	0	44	-1.0	-47.08	346.28	5.16	-41.92
CCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)O1	REAL300008156402	0	38	-1.0	-49.15	314.93	5.09	-44.06
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300008156403	0	49	-1.0	-53.42	377.93	4.54	-48.88
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300008156404	0	41	-1.0	-50.95	342.51	6.98	-43.97
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008156405	0	39	-1.0	-49.79	328.53	5.03	-44.76
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300008156406	0	36	-1.0	-49.15	313.07	3.91	-45.24
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=NC=CC=C12	REAL300008156407	0	46	-1.0	-53.89	355.90	7.46	-46.43
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300008156408	0	38	-1.0	-52.85	321.52	4.20	-48.65
CCOCC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156409	0	45	-1.0	-53.21	366.21	6.14	-47.07
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300008156410	0	45	-1.0	-48.86	364.73	6.55	-42.31
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008156411	0	48	-1.0	-52.78	376.21	6.49	-46.29
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008156412	0	46	-1.0	-49.95	378.66	8.34	-41.61
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1CF	REAL300008156413	0	38	-1.0	-50.73	304.86	6.32	-44.41
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC(C)=C1Br	REAL300008156414	0	41	-1.0	-49.07	347.52	7.29	-41.78
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CC=C12	REAL300008156415	0	44	-1.0	-54.61	342.58	8.02	-46.59
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300008156416	0	45	-1.0	-56.27	364.84	6.95	-49.32
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008156417	0	39	-1.0	-48.05	328.29	6.75	-41.30
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008156418	0	39	-1.0	-50.28	337.74	7.47	-42.81
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008156419	0	39	-1.0	-47.65	343.17	7.30	-40.35
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008156420	0	40	-1.0	-59.42	332.54	-0.55	-59.97
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008156421	0	38	-1.0	-55.51	314.34	5.89	-49.62
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300008156422	0	41	-1.0	-54.56	324.52	6.00	-48.56
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008156423	0	37	-1.0	-55.26	320.77	4.94	-50.32
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCOC1CCOC1	REAL300008156424	0	43	-1.0	-49.96	344.82	2.70	-47.26
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1COCCO1	REAL300008156425	0	40	-1.0	-54.82	317.23	2.84	-51.98
CC1=NC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C(C2=CC=CC=C2)O1	REAL300008156426	0	44	-1.0	-55.84	363.33	4.64	-51.20
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008156427	0	52	-1.0	-52.90	361.28	8.56	-44.34
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1CC(C)(C)CO1	REAL300008156428	0	45	-1.0	-54.15	344.44	5.15	-49.00
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300008156429	0	38	-1.0	-59.45	314.73	1.34	-58.11
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300008156430	0	43	-1.0	-50.72	328.33	5.97	-44.75
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CCCCS(C)(=O)=O	REAL300008156431	0	43	-1.0	-61.68	359.82	2.32	-59.36
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1CCC(C)(C)CO1	REAL300008156432	0	48	-1.0	-52.97	357.63	5.69	-47.28
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008156433	0	45	-1.0	-49.06	359.93	7.78	-41.28
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008156434	0	39	-1.0	-52.10	338.00	4.57	-47.53
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008156435	0	45	-1.0	-53.40	365.93	8.55	-44.85
CC1CCC(C(=O)[O-])CN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008156436	0	44	-1.0	-57.12	343.93	2.92	-54.20
COCCC1(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300008156437	0	42	-1.0	-53.24	327.96	4.60	-48.64
CCN1N=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300008156438	0	37	-1.0	-52.74	309.55	2.35	-50.39
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008156439	0	48	-1.0	-52.08	351.74	7.68	-44.40
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008156440	0	39	-1.0	-50.53	333.09	6.78	-43.75
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008156441	0	57	-1.0	-49.38	418.98	9.63	-39.75
COC1=CC=C(C=C(C)S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156442	0	46	-1.0	-49.79	366.27	6.53	-43.26
COC1=CSC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1OC	REAL300008156443	0	40	-1.0	-52.90	338.72	4.23	-48.67
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008156444	0	39	-1.0	-51.18	335.84	6.31	-44.87
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008156445	0	39	-1.0	-53.94	334.76	5.10	-48.84
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300008156446	0	41	-1.0	-51.10	330.50	5.29	-45.81
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300008156447	0	42	-1.0	-54.61	342.98	7.23	-47.38
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008156448	0	44	-1.0	-49.19	368.14	5.94	-43.25
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156449	0	48	-1.0	-51.18	381.67	7.92	-43.26
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008156450	0	46	-1.0	-54.55	378.00	8.30	-46.25
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300008156451	0	41	-1.0	-56.83	322.66	7.12	-49.71
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008156452	0	36	-1.0	-49.72	324.59	4.44	-45.28
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156453	0	46	-1.0	-55.29	373.50	7.17	-48.12
CCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C2CC2)=N1	REAL300008156454	0	45	-1.0	-50.92	357.05	5.94	-44.98
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=NSN=C2C=C1	REAL300008156455	0	39	-1.0	-48.38	317.15	4.41	-43.97
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008156456	0	41	-1.0	-50.46	351.96	8.28	-42.18
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008156457	0	45	-1.0	-50.02	379.77	9.43	-40.59
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008156458	0	34	-1.0	-46.62	316.18	3.49	-43.13
CCC1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1Br	REAL300008156459	0	41	-1.0	-48.06	348.36	7.38	-40.68
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156460	0	48	-1.0	-48.10	364.83	6.52	-41.58
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C(Cl)OC=C1	REAL300008156461	0	32	-1.0	-49.09	280.82	3.69	-45.40
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300008156462	0	32	-1.0	-46.11	298.09	4.98	-41.13
COCCC1=CC=C(OC)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156463	0	49	-1.0	-50.47	388.29	5.82	-44.65
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008156464	0	41	-1.0	-50.71	334.48	7.78	-42.93
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C2COCCC2=NN1C	REAL300008156465	0	43	-1.0	-50.41	338.33	3.21	-47.20
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008156466	0	42	-1.0	-50.87	327.39	7.53	-43.34
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008156467	0	50	-1.0	-51.79	384.35	5.98	-45.81
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156468	0	38	-1.0	-49.30	322.84	3.22	-46.08
COC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1C	REAL300008156469	0	41	-1.0	-48.39	336.16	2.91	-45.48
CC(C)CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=N1	REAL300008156470	0	44	-1.0	-48.08	352.22	5.63	-42.45
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156471	0	44	-1.0	-51.07	339.27	4.98	-46.09
CC(C)N1N=CC=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156472	0	41	-1.0	-47.24	328.08	4.55	-42.69
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300008156473	0	42	-1.0	-47.17	339.15	5.34	-41.83
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008156474	0	42	-1.0	-51.48	329.05	6.23	-45.25
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=NN1C(C)C	REAL300008156475	0	44	-1.0	-54.00	344.60	5.03	-48.97
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300008156476	0	49	-1.0	-50.03	398.81	9.06	-40.97
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C(C(F)F)=C1	REAL300008156477	0	42	-1.0	-48.54	336.17	5.78	-42.76
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(C(=O)[O-])CCC1C	REAL300008156478	0	41	-1.0	-46.40	348.73	3.69	-42.71
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)C2=NC=CC=C12	REAL300008156479	0	43	-1.0	-57.12	337.71	7.13	-49.99
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008156480	0	39	-1.0	-56.57	318.34	5.25	-51.32
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008156481	0	42	-1.0	-56.00	352.25	6.29	-49.71
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300008156482	0	48	-1.0	-51.10	365.50	7.31	-43.79
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008156483	0	39	-1.0	-48.03	306.15	4.07	-43.96
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008156484	0	39	-1.0	-52.59	306.14	4.06	-48.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156485	0	42	-1.0	-56.16	313.89	5.20	-50.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156486	0	43	-1.0	-54.66	330.75	4.25	-50.41
CC1=CC=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C=C1C(=O)[O-]	REAL300008156487	0	42	-1.0	-52.38	324.08	4.80	-47.58
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008156488	0	36	-1.0	-48.45	284.21	3.56	-44.89
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008156489	0	39	-1.0	-52.59	306.14	4.06	-48.53
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008156490	0	39	-1.0	-48.03	306.15	4.07	-43.96
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008156491	0	39	-1.0	-66.12	299.77	5.37	-60.75
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008156492	0	37	-1.0	-50.53	295.53	1.78	-48.75
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008156493	0	39	-1.0	-48.32	308.79	2.45	-45.87
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008156494	0	36	-1.0	-47.60	295.02	3.26	-44.34
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008156495	0	36	-1.0	-49.73	273.60	1.12	-48.61
CC(C)[C@@H]1COCCN1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008156496	0	44	-1.0	-49.98	324.07	3.26	-46.72
CC(C)[C@@H]1COCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008156497	0	44	-1.0	-46.72	322.89	3.19	-43.53
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008156498	0	39	-1.0	-66.12	299.77	5.37	-60.75
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008156499	0	39	-1.0	-58.67	313.63	5.37	-53.30
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008156500	0	36	-1.0	-49.40	291.90	2.47	-46.93
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)O1	REAL300008156501	0	39	-1.0	-48.97	306.63	3.13	-45.84
CC(C)[C@@H]1COCCN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008156502	0	41	-1.0	-60.38	303.93	2.95	-57.43
CC(C)[C@@H]1COCCN1S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008156503	0	42	-1.0	-56.48	330.65	4.95	-51.53
CC(C)[C@@H]1COCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008156504	0	44	-1.0	-46.72	322.89	3.19	-43.53
CC(C)[C@@H]1COCCN1S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008156505	0	42	-1.0	-58.85	328.81	4.85	-54.00
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008156506	0	36	-1.0	-49.40	291.90	2.47	-46.93
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008156507	0	43	-1.0	-47.83	337.19	4.32	-43.51
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156508	0	43	-1.0	-46.48	343.18	5.79	-40.69
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008156509	0	36	-1.0	-49.18	300.01	3.12	-46.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC[C@H]2C(C)C)=C1C	REAL300008156510	0	45	-1.0	-56.89	332.27	5.65	-51.24
CC1=CC=CC(S(=O)(=O)N2CCOC[C@H]2C(C)C)=C1C(=O)[O-]	REAL300008156511	0	42	-1.0	-54.91	323.68	5.24	-49.67
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC[C@H]2C(C)C)=C1	REAL300008156512	0	46	-1.0	-52.47	353.95	3.60	-48.87
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008156513	0	36	-1.0	-50.86	292.92	3.10	-47.76
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008156514	0	42	-1.0	-55.49	338.04	6.26	-49.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156515	0	42	-1.0	-50.56	312.02	5.18	-45.38
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008156516	0	42	-1.0	-49.54	328.59	6.25	-43.29
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008156517	0	42	-1.0	-48.76	328.24	4.81	-43.95
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C=C1[N+](=O)[O-]	REAL300008156518	0	44	-1.0	-41.35	337.15	4.90	-36.45
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008156519	0	36	-1.0	-48.96	292.22	2.22	-46.74
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008156520	0	42	-1.0	-52.24	328.32	4.84	-47.40
CC1=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C=C(C(=O)[O-])O1	REAL300008156521	0	39	-1.0	-52.49	301.08	3.00	-49.49
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008156522	0	38	-1.0	-46.33	301.35	2.22	-44.11
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008156523	0	35	-1.0	-52.07	277.54	2.07	-50.00
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008156524	0	35	-1.0	-64.61	281.86	1.71	-62.90
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008156525	0	38	-1.0	-68.10	293.51	3.61	-64.49
CC(C)[C@@H]1COCCN1S(=O)(=O)CCCCCC(=O)[O-]	REAL300008156526	0	44	-1.0	-51.18	330.60	4.16	-47.02
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008156527	0	38	-1.0	-49.86	299.34	2.82	-47.04
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008156528	0	39	-1.0	-45.98	315.61	4.39	-41.59
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008156529	0	39	-1.0	-46.03	320.18	4.50	-41.53
COC1=CC=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C=C1C(=O)[O-]	REAL300008156530	0	43	-1.0	-58.27	333.37	4.11	-54.16
CC1=CC(S(=O)(=O)N2CCOC[C@H]2C(C)C)=CC=C1C(=O)[O-]	REAL300008156531	0	42	-1.0	-47.58	323.79	4.71	-42.87
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008156532	0	44	-1.0	-52.35	327.40	4.13	-48.22
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC[C@H]2C(C)C)=C1	REAL300008156533	0	46	-1.0	-52.47	353.95	3.60	-48.87
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008156534	0	39	-1.0	-45.98	315.61	4.39	-41.59
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156535	0	39	-1.0	-48.74	303.94	4.61	-44.13
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156536	0	42	-1.0	-50.27	328.69	5.53	-44.74
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCOC[C@H]3C(C)C)C=C21	REAL300008156537	0	45	-1.0	-49.93	350.46	5.97	-43.96
CC(C)[C@@H]1COCCN1S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008156538	0	42	-1.0	-56.48	330.65	4.95	-51.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156539	0	43	-1.0	-54.66	330.75	4.25	-50.41
CC1=CC=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C=C1C(=O)[O-]	REAL300008156540	0	42	-1.0	-52.38	324.08	4.80	-47.58
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156541	0	42	-1.0	-56.16	313.89	5.20	-50.96
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156542	0	43	-1.0	-45.19	336.93	4.81	-40.38
CC(C)[C@@H]1COCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008156543	0	42	-1.0	-46.52	315.56	4.04	-42.48
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008156544	0	42	-1.0	-52.24	328.32	4.84	-47.40
COC1=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)SC(C(=O)[O-])=C1	REAL300008156545	0	40	-1.0	-47.38	318.99	3.16	-44.22
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008156546	0	44	-1.0	-48.08	336.52	4.59	-43.49
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008156547	0	42	-1.0	-46.57	336.20	4.85	-41.72
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008156548	0	46	-1.0	-52.53	352.21	5.92	-46.61
CCC1=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C=C(C(=O)[O-])O1	REAL300008156549	0	42	-1.0	-52.95	330.07	4.06	-48.89
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008156550	0	41	-1.0	-60.51	325.10	5.52	-54.99
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008156551	0	42	-1.0	-49.27	341.43	6.13	-43.14
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008156552	0	41	-1.0	-50.86	327.57	5.94	-44.92
CC1=NC=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C=C1C(=O)[O-]	REAL300008156553	0	41	-1.0	-45.75	316.81	3.36	-42.39
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156554	0	43	-1.0	-48.20	332.44	4.63	-43.57
COC1=CC(S(=O)(=O)N2CCOC[C@H]2C(C)C)=CC=C1C(=O)[O-]	REAL300008156555	0	43	-1.0	-53.33	333.34	4.12	-49.21
COC1=CC=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C(CC(=O)[O-])=C1	REAL300008156556	0	46	-1.0	-56.51	345.84	4.78	-51.73
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008156557	0	42	-1.0	-50.67	333.72	4.85	-45.82
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008156558	0	42	-1.0	-46.15	338.29	4.91	-41.24
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008156559	0	48	-1.0	-47.61	361.00	5.71	-41.90
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008156560	0	39	-1.0	-51.56	296.34	2.34	-49.22
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008156561	0	45	-1.0	-50.71	330.82	5.95	-44.76
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCOC[C@H]2C(C)C)=C1	REAL300008156562	0	39	-1.0	-50.81	305.39	3.27	-47.54
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008156563	0	39	-1.0	-58.64	318.20	5.48	-53.16
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008156564	0	39	-1.0	-50.42	318.59	4.43	-45.99
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008156565	0	36	-1.0	-51.16	274.70	2.79	-48.37
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCOC[C@H]2C(C)C)=C1	REAL300008156566	0	43	-1.0	-63.62	326.23	4.16	-59.46
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CCOC[C@H]2C(C)C)=C1OC	REAL300008156567	0	51	-1.0	-50.53	396.30	5.19	-45.34
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008156568	0	36	-1.0	-49.73	273.60	1.12	-48.61
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008156569	0	39	-1.0	-51.56	296.34	2.34	-49.22
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008156570	0	41	-2.0	-135.40	333.14	5.58	-129.82
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156571	0	46	-1.0	-54.15	352.37	4.35	-49.80
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008156572	0	38	-1.0	-50.12	301.03	2.58	-47.54
CC(C)[C@@H]1COCCN1S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008156573	0	42	-1.0	-55.79	318.76	5.06	-50.73
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008156574	0	36	-1.0	-45.57	303.29	2.95	-42.62
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008156575	0	45	-1.0	-50.88	329.75	5.63	-45.25
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC[C@H]1C(C)C	REAL300008156576	0	46	-1.0	-54.14	352.65	5.18	-48.96
COC1=CC=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C(C(=O)[O-])=C1	REAL300008156577	0	43	-1.0	-67.87	326.37	4.16	-63.71
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008156578	0	38	-1.0	-54.44	302.31	2.27	-52.17
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008156579	0	36	-1.0	-44.57	288.04	0.44	-44.13
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008156580	0	39	-1.0	-53.56	312.28	2.34	-51.22
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008156581	0	45	-1.0	-51.13	351.87	6.28	-44.85
CC(C)[C@@H]1COCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008156582	0	42	-1.0	-52.53	313.70	3.94	-48.59
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)S1	REAL300008156583	0	39	-1.0	-49.28	316.96	3.77	-45.51
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008156584	0	45	-1.0	-70.72	341.82	7.07	-63.65
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008156585	0	42	-1.0	-45.29	315.84	4.87	-40.42
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008156586	0	42	-1.0	-55.91	316.99	5.32	-50.59
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008156587	0	39	-1.0	-47.61	336.42	4.65	-42.96
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008156588	0	42	-1.0	-66.94	332.02	2.63	-64.31
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008156589	0	42	-1.0	-43.81	327.20	5.70	-38.11
CC(C)[C@@H]1COCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008156590	0	44	-1.0	-44.04	291.84	3.72	-40.32
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008156591	0	36	-1.0	-44.57	288.04	0.44	-44.13
CC(C)[C@@H]1COCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008156592	0	41	-1.0	-49.18	308.65	3.11	-46.07
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008156593	0	36	-1.0	-49.73	273.60	1.12	-48.61
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008156594	0	36	-1.0	-43.51	301.19	4.19	-39.32
CC1=CC(S(=O)(=O)N2CCOC[C@H]2C(C)C)=CN=C1C(=O)[O-]	REAL300008156595	0	41	-1.0	-49.64	313.52	2.79	-46.85
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008156596	0	42	-1.0	-55.91	316.99	5.32	-50.59
CCOC1=CC=C(S(=O)(=O)N2CCOC[C@H]2C(C)C)C=C1C(=O)[O-]	REAL300008156597	0	46	-1.0	-58.68	355.22	5.01	-53.67
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008156598	0	46	-1.0	-47.65	348.03	6.49	-41.16
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008156599	0	38	-1.0	-45.49	284.07	2.34	-43.15
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008156600	0	44	-1.0	-54.28	347.79	4.41	-49.87
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008156601	0	42	-1.0	-49.62	344.59	8.90	-40.72
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008156602	0	42	-1.0	-52.45	344.62	8.88	-43.57
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008156603	0	45	-1.0	-60.30	355.05	9.56	-50.74
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008156604	0	46	-1.0	-59.37	377.30	8.87	-50.50
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008156605	0	45	-1.0	-57.84	360.58	9.43	-48.41
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008156606	0	39	-1.0	-48.19	324.73	8.32	-39.87
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008156607	0	42	-1.0	-52.45	344.62	8.88	-43.57
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008156608	0	42	-1.0	-49.62	344.59	8.90	-40.72
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008156609	0	42	-1.0	-68.88	341.77	10.11	-58.77
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008156610	0	40	-1.0	-50.67	333.69	6.59	-44.08
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008156611	0	42	-1.0	-50.94	349.76	7.00	-43.94
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008156612	0	39	-1.0	-50.68	337.83	8.07	-42.61
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008156613	0	39	-1.0	-54.31	322.82	6.13	-48.18
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008156614	0	42	-1.0	-68.88	341.77	10.11	-58.77
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008156615	0	42	-1.0	-45.62	345.92	9.69	-35.93
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008156616	0	39	-1.0	-54.38	332.37	7.45	-46.93
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008156617	0	42	-1.0	-51.20	350.59	7.91	-43.29
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)CCCC(=O)[O-]	REAL300008156618	0	41	-1.0	-52.42	333.79	7.66	-44.76
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008156619	0	45	-1.0	-56.91	371.57	9.75	-47.16
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008156620	0	45	-1.0	-61.59	371.57	9.74	-51.85
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008156621	0	39	-1.0	-54.38	332.37	7.45	-46.93
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008156622	0	46	-1.0	-49.08	375.68	9.16	-39.92
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)CCCC(=O)[O-]	REAL300008156623	0	41	-1.0	-52.42	333.79	7.66	-44.76
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008156624	0	39	-1.0	-50.37	338.76	7.97	-42.40
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008156625	0	48	-1.0	-61.60	374.15	10.11	-51.49
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008156626	0	45	-1.0	-58.04	355.29	9.88	-48.16
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008156627	0	49	-1.0	-59.01	399.64	8.61	-50.40
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008156628	0	39	-1.0	-55.51	336.29	7.92	-47.59
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008156629	0	45	-1.0	-49.66	350.68	9.43	-40.23
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008156630	0	45	-1.0	-50.19	366.78	9.66	-40.53
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008156631	0	39	-1.0	-50.46	332.60	7.18	-43.28
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008156632	0	45	-1.0	-52.40	366.73	9.64	-42.76
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008156633	0	42	-1.0	-56.42	349.65	8.16	-48.26
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008156634	0	41	-1.0	-46.50	339.75	7.07	-39.43
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008156635	0	38	-1.0	-52.66	324.17	6.96	-45.70
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008156636	0	38	-1.0	-64.00	325.89	6.64	-57.36
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008156637	0	41	-1.0	-71.82	338.60	8.30	-63.52
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)CCCCCC(=O)[O-]	REAL300008156638	0	47	-1.0	-53.06	376.79	9.22	-43.84
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008156639	0	41	-1.0	-52.18	340.46	7.07	-45.11
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008156640	0	42	-1.0	-47.17	361.34	9.40	-37.77
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008156641	0	46	-1.0	-57.94	371.85	8.95	-48.99
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008156642	0	45	-1.0	-48.89	360.56	9.43	-39.46
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008156643	0	47	-1.0	-52.97	377.08	9.25	-43.72
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008156644	0	49	-1.0	-59.01	399.64	8.61	-50.40
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008156645	0	42	-1.0	-47.17	361.34	9.40	-37.77
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008156646	0	42	-1.0	-50.83	336.83	8.91	-41.92
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008156647	0	45	-1.0	-54.17	369.75	9.99	-44.18
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008156648	0	48	-1.0	-52.16	391.54	10.23	-41.93
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008156649	0	45	-1.0	-56.91	371.57	9.75	-47.16
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008156650	0	46	-1.0	-59.37	377.30	8.87	-50.50
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008156651	0	45	-1.0	-57.84	360.58	9.43	-48.41
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008156652	0	45	-1.0	-60.30	355.05	9.56	-50.74
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300008156653	0	46	-1.0	-50.39	379.38	9.02	-41.37
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008156654	0	45	-1.0	-50.06	357.76	8.91	-41.15
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008156655	0	45	-1.0	-52.40	366.73	9.64	-42.76
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300008156656	0	43	-1.0	-50.20	366.73	7.82	-42.38
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008156657	0	47	-1.0	-50.16	381.39	9.54	-40.62
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008156658	0	49	-1.0	-52.85	390.78	10.75	-42.10
CCC1=C(S(=O)(=O)N2CCCC3=CC(CC)=CC=C32)C=C(C(=O)[O-])O1	REAL300008156659	0	45	-1.0	-56.81	366.43	8.62	-48.19
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008156660	0	44	-1.0	-59.54	368.90	10.73	-48.81
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008156661	0	44	-1.0	-54.08	369.94	10.78	-43.30
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008156662	0	44	-1.0	-50.66	355.91	7.59	-43.07
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008156663	0	46	-1.0	-49.82	377.35	8.88	-40.94
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008156664	0	46	-1.0	-54.77	371.84	8.97	-45.80
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300008156665	0	49	-1.0	-60.28	382.84	9.13	-51.15
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008156666	0	45	-1.0	-50.70	372.19	9.70	-41.00
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008156667	0	51	-1.0	-50.76	399.51	10.55	-40.21
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008156668	0	42	-1.0	-50.44	337.10	7.07	-43.37
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008156669	0	48	-1.0	-51.38	379.89	11.01	-40.37
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008156670	0	42	-1.0	-55.64	350.34	8.04	-47.60
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008156671	0	42	-1.0	-55.71	357.12	9.30	-46.41
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008156672	0	39	-1.0	-55.20	323.98	7.86	-47.34
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008156673	0	42	-1.0	-46.52	322.75	7.73	-38.79
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300008156674	0	46	-1.0	-50.63	358.59	8.50	-42.13
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008156675	0	39	-1.0	-54.31	322.82	6.13	-48.18
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008156676	0	42	-1.0	-50.44	337.10	7.07	-43.37
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008156677	0	44	-2.0	-142.34	371.43	9.86	-132.48
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300008156678	0	49	-1.0	-59.02	386.86	8.63	-50.39
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008156679	0	39	-1.0	-47.71	347.21	7.72	-39.99
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008156680	0	48	-1.0	-52.61	379.60	11.02	-41.59
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2=CC(CC)=CC=C21	REAL300008156681	0	49	-1.0	-59.76	395.51	9.71	-50.05
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300008156682	0	46	-1.0	-68.23	370.14	9.35	-58.88
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008156683	0	39	-1.0	-45.75	330.99	5.41	-40.34
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008156684	0	42	-1.0	-57.99	346.87	6.68	-51.31
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008156685	0	48	-1.0	-52.30	390.46	11.14	-41.16
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008156686	0	42	-1.0	-54.53	334.18	8.03	-46.50
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008156687	0	45	-1.0	-54.29	354.91	8.76	-45.53
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008156688	0	42	-1.0	-50.78	356.90	8.68	-42.10
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008156689	0	48	-1.0	-73.05	387.46	12.41	-60.64
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008156690	0	45	-1.0	-60.23	353.84	9.61	-50.62
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008156691	0	45	-1.0	-72.20	376.30	7.75	-64.45
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008156692	0	45	-1.0	-46.39	376.53	10.35	-36.04
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008156693	0	42	-1.0	-55.53	344.43	8.36	-47.17
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008156694	0	39	-1.0	-45.75	330.99	5.41	-40.34
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008156695	0	39	-1.0	-43.19	341.89	8.95	-34.24
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008156696	0	42	-1.0	-59.67	328.55	8.75	-50.92
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008156697	0	44	-1.0	-51.25	357.08	7.61	-43.64
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008156698	0	45	-1.0	-60.23	353.84	9.61	-50.62
CCOC1=CC=C(S(=O)(=O)N2CCCC3=CC(CC)=CC=C32)C=C1C(=O)[O-]	REAL300008156699	0	49	-1.0	-64.47	393.71	9.87	-54.60
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008156700	0	49	-1.0	-50.52	390.04	10.76	-39.76
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008156701	0	41	-1.0	-61.12	337.31	8.28	-52.84
CC(C)C(NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(Br)C=C1	REAL300008156702	0	40	-1.0	-52.36	358.27	6.39	-45.97
CC(C)C(NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(Br)C=C1	REAL300008156703	0	40	-1.0	-52.36	358.27	6.39	-45.97
CC(C)C(NS(=O)(=O)N(C)CCC(=O)[O-])C1=CC=C(Br)C=C1	REAL300008156704	0	42	-1.0	-47.62	363.89	5.96	-41.66
CC(C)C(NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=CC=C(Br)C=C1	REAL300008156705	0	41	-1.0	-42.29	355.63	6.98	-35.31
CC(C)C(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300008156706	0	41	-1.0	-53.76	362.57	6.88	-46.88
CC(C)C(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300008156707	0	41	-1.0	-52.71	363.14	7.14	-45.57
CC(C)C(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300008156708	0	41	-1.0	-58.04	352.31	7.49	-50.55
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC23CCC3)C=C1	REAL300008156709	0	42	-1.0	-48.05	335.48	6.41	-41.64
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCCC23CCC3)=C1	REAL300008156710	0	42	-1.0	-52.84	335.53	6.40	-46.44
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O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCCCC12CCC2	REAL300008156819	0	44	-1.0	-45.04	323.86	4.84	-40.20
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCCC12CCC2	REAL300008156820	0	39	-1.0	-52.01	306.20	3.15	-48.86
O=C([O-])C1=C(S(=O)(=O)NC2CCCCC23CCC3)C=C(Cl)S1	REAL300008156821	0	39	-1.0	-43.07	337.02	6.85	-36.22
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1CCCCC12CCC2	REAL300008156822	0	42	-1.0	-58.61	317.35	6.25	-52.36
CC1=CC(S(=O)(=O)NC2CCCCC23CCC3)=CN=C1C(=O)[O-]	REAL300008156823	0	44	-1.0	-50.50	347.94	5.17	-45.33
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCCCC12CCC2	REAL300008156824	0	45	-1.0	-57.01	349.20	7.64	-49.37
CCOC1=CC=C(S(=O)(=O)NC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300008156825	0	49	-1.0	-58.97	384.68	7.38	-51.59
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CCCCC34CCC4)C=C2C1	REAL300008156826	0	49	-1.0	-51.50	381.02	8.29	-43.21
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC1CCCCC12CCC2	REAL300008156827	0	41	-1.0	-44.46	317.46	5.33	-39.13
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC3CCCCC34CCC4)C=C2C=C1	REAL300008156828	0	47	-1.0	-54.00	377.24	6.78	-47.22
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156829	0	37	-1.0	-61.14	311.59	5.54	-55.60
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008156830	0	44	-1.0	-54.68	350.12	7.38	-47.30
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C1CC1	REAL300008156831	0	29	-1.0	-52.30	280.25	4.43	-47.87
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156832	0	39	-1.0	-58.67	311.14	4.59	-54.08
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156833	0	35	-1.0	-54.31	313.05	5.80	-48.51
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C1CC1	REAL300008156834	0	36	-1.0	-56.23	302.03	4.28	-51.95
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008156835	0	38	-1.0	-59.61	332.13	2.33	-57.28
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C1CC1	REAL300008156836	0	36	-1.0	-51.18	317.44	4.60	-46.58
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300008156837	0	43	-1.0	-55.54	350.62	4.34	-51.20
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156838	0	35	-1.0	-51.39	308.48	5.68	-45.71
CN(C1CCCCC1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156839	0	43	-1.0	-53.75	331.79	4.71	-49.04
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156840	0	38	-1.0	-47.52	312.33	3.09	-44.43
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C1CC1	REAL300008156841	0	48	-1.0	-54.34	373.29	8.61	-45.73
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1CC1	REAL300008156842	0	38	-1.0	-56.88	315.93	3.96	-52.92
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C1CC1	REAL300008156843	0	32	-1.0	-39.90	288.03	5.07	-34.83
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C1CC1	REAL300008156844	0	32	-1.0	-52.26	290.10	5.67	-46.59
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156845	0	37	-1.0	-60.86	311.26	6.60	-54.26
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1CC1	REAL300008156846	0	38	-1.0	-55.47	337.97	6.38	-49.09
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156847	0	42	-1.0	-67.20	359.94	0.89	-66.31
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008156848	0	43	-1.0	-53.92	353.91	6.64	-47.28
CC1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156849	0	35	-1.0	-54.62	299.94	5.52	-49.10
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1CC1	REAL300008156850	0	38	-1.0	-53.84	322.88	4.77	-49.07
COCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008156851	0	39	-1.0	-55.93	326.50	4.54	-51.39
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008156852	0	38	-1.0	-52.09	321.39	2.37	-49.72
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008156853	0	41	-1.0	-68.40	356.48	3.01	-65.39
CS(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156854	0	37	-1.0	-71.30	324.97	0.41	-70.89
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1C	REAL300008156855	0	42	-1.0	-54.29	337.40	5.10	-49.19
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C1CC1	REAL300008156856	0	37	-1.0	-56.69	335.53	4.73	-51.96
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C1CC1	REAL300008156857	0	35	-1.0	-56.32	321.04	5.71	-50.61
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1CC1	REAL300008156858	0	37	-1.0	-56.59	313.16	5.17	-51.42
CN(C1CCOCC1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156859	0	41	-1.0	-53.51	322.69	2.31	-51.20
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=NN1C1=CC=CC=N1	REAL300008156860	0	41	-1.0	-56.12	350.72	5.55	-50.57
CCN1N=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300008156861	0	41	-1.0	-52.42	337.52	4.24	-48.18
CC(C)N1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008156862	0	38	-1.0	-53.18	316.66	3.84	-49.34
CC(C)CN1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156863	0	41	-1.0	-63.10	333.31	6.27	-56.83
CC(C)N1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156864	0	38	-1.0	-62.36	314.20	5.40	-56.96
CC(C)C1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN1	REAL300008156865	0	38	-1.0	-62.37	315.51	3.19	-59.18
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156866	0	44	-1.0	-57.80	326.28	7.12	-50.68
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C1CC1	REAL300008156867	0	45	-1.0	-49.99	381.38	7.07	-42.92
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156868	0	40	-1.0	-68.39	334.97	4.46	-63.93
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300008156869	0	40	-1.0	-42.08	343.43	4.11	-37.97
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300008156870	0	35	-1.0	-54.72	310.95	6.00	-48.72
CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156871	0	35	-1.0	-51.92	296.88	5.20	-46.72
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C1CC1	REAL300008156872	0	38	-1.0	-41.99	332.57	6.89	-35.10
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C1CC1	REAL300008156873	0	37	-1.0	-48.47	329.02	6.40	-42.07
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C1CC1	REAL300008156874	0	36	-1.0	-52.99	316.92	4.45	-48.54
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C1CC1	REAL300008156875	0	39	-1.0	-54.38	328.31	5.73	-48.65
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156876	0	47	-1.0	-52.30	369.61	5.24	-47.06
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1CC1	REAL300008156877	0	35	-1.0	-53.77	303.61	5.67	-48.10
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156878	0	43	-1.0	-59.37	344.82	3.65	-55.72
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008164001	0	35	-1.0	-55.83	305.62	5.98	-49.85
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008164002	0	35	-1.0	-49.35	304.66	6.23	-43.12
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008164003	0	35	-1.0	-69.49	298.09	7.40	-62.09
CN(CC1CC(F)C1)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008164004	0	35	-1.0	-49.87	310.12	4.30	-45.57
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008164005	0	32	-1.0	-48.66	289.50	4.75	-43.91
CN(CC1CC(F)C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008164006	0	40	-1.0	-51.71	322.05	5.35	-46.36
CN(CC1CC(F)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008164007	0	40	-1.0	-52.64	321.97	5.35	-47.29
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008164008	0	35	-1.0	-69.49	298.09	7.40	-62.09
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008164009	0	35	-1.0	-57.55	312.23	7.48	-50.07
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC2CC(F)C2)O1	REAL300008164010	0	35	-1.0	-53.81	300.68	4.50	-49.31
CN(CC1CC(F)C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008164011	0	38	-1.0	-58.95	327.97	6.99	-51.96
CN(CC1CC(F)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008164012	0	40	-1.0	-52.64	321.97	5.35	-47.29
CN(CC1CC(F)C1)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008164013	0	38	-1.0	-59.52	328.61	6.69	-52.83
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008164014	0	39	-1.0	-52.10	336.69	6.25	-45.85
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164015	0	39	-1.0	-57.96	346.10	7.07	-50.89
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008164016	0	32	-1.0	-52.71	290.58	4.66	-48.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2CC(F)C2)=C1C	REAL300008164017	0	41	-1.0	-64.43	325.40	6.76	-57.67
CC1=CC=CC(S(=O)(=O)N(C)CC2CC(F)C2)=C1C(=O)[O-]	REAL300008164018	0	38	-1.0	-75.72	321.53	7.21	-68.51
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2CC(F)C2)=C1	REAL300008164019	0	42	-1.0	-53.87	364.87	5.79	-48.08
CN(CC1CC(F)C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008164020	0	32	-1.0	-51.21	288.68	4.75	-46.46
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008164021	0	38	-1.0	-55.51	336.71	8.01	-47.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164022	0	38	-1.0	-48.94	302.91	6.13	-42.81
CN(CC1CC(F)C1)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008164023	0	38	-1.0	-69.12	325.62	8.56	-60.56
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008164024	0	38	-1.0	-49.94	326.85	7.01	-42.93
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC2CC(F)C2)C=C1[N+](=O)[O-]	REAL300008164025	0	40	-1.0	-42.60	348.05	7.11	-35.49
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008164026	0	38	-1.0	-54.39	327.79	6.75	-47.64
CC1=C(S(=O)(=O)N(C)CC2CC(F)C2)C=C(C(=O)[O-])O1	REAL300008164027	0	35	-1.0	-58.36	300.14	4.80	-53.56
CN(CC1CC(F)C1)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008164028	0	34	-1.0	-49.25	304.95	4.28	-44.97
CN(CC1CC(F)C1)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008164029	0	31	-1.0	-64.42	286.37	4.19	-60.23
CN(CC1CC(F)C1)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008164030	0	31	-1.0	-65.17	291.54	3.76	-61.41
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008164031	0	34	-1.0	-68.21	293.56	5.16	-63.05
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008164032	0	34	-1.0	-51.15	301.42	4.38	-46.77
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008164033	0	35	-1.0	-47.40	326.53	6.59	-40.81
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008164034	0	35	-1.0	-47.37	331.10	6.69	-40.68
COC1=CC=C(S(=O)(=O)N(C)CC2CC(F)C2)C=C1C(=O)[O-]	REAL300008164035	0	39	-1.0	-61.71	337.07	6.14	-55.57
CC1=CC(S(=O)(=O)N(C)CC2CC(F)C2)=CC=C1C(=O)[O-]	REAL300008164036	0	38	-1.0	-49.51	312.58	6.15	-43.36
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008164037	0	40	-1.0	-60.68	336.38	6.41	-54.27
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2CC(F)C2)=C1	REAL300008164038	0	42	-1.0	-53.87	364.87	5.79	-48.08
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008164039	0	35	-1.0	-47.40	326.53	6.59	-40.81
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164040	0	35	-1.0	-51.35	297.08	6.34	-45.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164041	0	38	-1.0	-57.29	321.72	6.66	-50.63
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N(C)CC3CC(F)C3)C=C12	REAL300008164042	0	41	-1.0	-53.82	356.73	7.41	-46.41
CN(CC1CC(F)C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008164043	0	38	-1.0	-58.95	327.97	6.99	-51.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164044	0	39	-1.0	-60.66	326.04	5.77	-54.89
CC1=CC=C(S(=O)(=O)N(C)CC2CC(F)C2)C=C1C(=O)[O-]	REAL300008164045	0	38	-1.0	-55.30	325.84	6.60	-48.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164046	0	38	-1.0	-63.01	308.16	6.26	-56.75
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164047	0	39	-1.0	-44.47	341.68	5.96	-38.51
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008164048	0	38	-1.0	-54.39	327.79	6.75	-47.64
COC1=C(S(=O)(=O)N(C)CC2CC(F)C2)SC(C(=O)[O-])=C1	REAL300008164049	0	36	-1.0	-51.32	325.84	4.88	-46.44
CC1=C(Br)C=C(S(=O)(=O)N(C)CC2CC(F)C2)C=C1C(=O)[O-]	REAL300008164050	0	38	-1.0	-46.66	343.69	7.14	-39.52
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008164051	0	40	-1.0	-51.64	342.38	6.84	-44.80
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008164052	0	38	-1.0	-50.34	326.68	6.43	-43.91
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008164053	0	42	-1.0	-54.66	351.41	8.07	-46.59
CCC1=C(S(=O)(=O)N(C)CC2CC(F)C2)C=C(C(=O)[O-])O1	REAL300008164054	0	38	-1.0	-53.68	323.37	5.59	-48.09
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008164055	0	37	-1.0	-65.42	323.85	7.64	-57.78
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008164056	0	38	-1.0	-51.23	343.45	7.46	-43.77
CN(CC1CC(F)C1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008164057	0	37	-1.0	-51.36	323.72	7.64	-43.72
CC1=NC=C(S(=O)(=O)N(C)CC2CC(F)C2)C=C1C(=O)[O-]	REAL300008164058	0	37	-1.0	-48.61	317.05	4.88	-43.73
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164059	0	39	-1.0	-49.18	327.07	6.08	-43.10
COC1=CC(S(=O)(=O)N(C)CC2CC(F)C2)=CC=C1C(=O)[O-]	REAL300008164060	0	39	-1.0	-55.27	318.81	5.52	-49.75
COC1=CC=C(S(=O)(=O)N(C)CC2CC(F)C2)C(CC(=O)[O-])=C1	REAL300008164061	0	42	-1.0	-67.90	348.13	6.39	-61.51
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008164062	0	38	-1.0	-53.89	324.22	6.43	-47.46
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008164063	0	38	-1.0	-46.18	348.51	7.07	-39.11
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008164064	0	44	-1.0	-51.31	357.84	7.86	-43.45
CN(CC1CC(F)C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008164065	0	35	-1.0	-53.77	294.91	4.44	-49.33
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008164066	0	41	-1.0	-55.18	341.30	8.22	-46.96
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)CC2CC(F)C2)=C1	REAL300008164067	0	35	-1.0	-54.23	300.34	4.60	-49.63
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008164068	0	35	-1.0	-57.48	316.73	7.58	-49.90
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008164069	0	35	-1.0	-50.34	309.10	6.01	-44.33
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)CC2CC(F)C2)=C1	REAL300008164070	0	39	-1.0	-62.33	324.74	6.27	-56.06
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N(C)CC2CC(F)C2)=C1OC	REAL300008164071	0	47	-1.0	-52.31	395.08	7.13	-45.18
CN(CC1CC(F)C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008164072	0	35	-1.0	-53.77	294.91	4.44	-49.33
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008164073	0	37	-2.0	-134.98	336.66	7.04	-127.94
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164074	0	42	-1.0	-53.58	352.57	6.04	-47.54
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008164075	0	34	-1.0	-47.59	306.17	4.21	-43.38
CN(CC1CC(F)C1)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008164076	0	38	-1.0	-59.22	321.80	7.16	-52.06
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008164077	0	32	-1.0	-50.48	297.34	4.32	-46.16
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008164078	0	41	-1.0	-55.04	340.89	8.23	-46.81
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CC(F)C1	REAL300008164079	0	42	-1.0	-60.18	347.18	6.67	-53.51
COC1=CC=C(S(=O)(=O)N(C)CC2CC(F)C2)C(C(=O)[O-])=C1	REAL300008164080	0	39	-1.0	-72.46	324.91	6.27	-66.19
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008164081	0	34	-1.0	-56.41	305.86	4.30	-52.11
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008164082	0	35	-1.0	-55.03	307.37	3.70	-51.33
CN(CC1CC(F)C1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008164083	0	41	-1.0	-54.48	355.68	8.34	-46.14
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC2CC(F)C2)S1	REAL300008164084	0	35	-1.0	-52.82	308.61	5.35	-47.47
CN(CC1CC(F)C1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008164085	0	41	-1.0	-69.12	343.28	9.27	-59.85
CN(CC1CC(F)C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008164086	0	38	-1.0	-43.02	332.65	7.31	-35.71
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008164087	0	38	-1.0	-66.84	318.71	7.12	-59.72
CN(CC1CC(F)C1)S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008164088	0	35	-1.0	-49.02	334.40	6.80	-42.22
CN(CC1CC(F)C1)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008164089	0	38	-1.0	-69.44	331.06	4.86	-64.58
CN(CC1CC(F)C1)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008164090	0	38	-1.0	-46.91	333.67	7.27	-39.64
CN(CC1CC(F)C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008164091	0	40	-1.0	-54.87	308.48	6.00	-48.87
CN(CC1CC(F)C1)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008164092	0	32	-1.0	-59.14	307.69	6.25	-52.89
CC1=CC(S(=O)(=O)N(C)CC2CC(F)C2)=CN=C1C(=O)[O-]	REAL300008164093	0	37	-1.0	-51.63	322.53	4.82	-46.81
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008164094	0	38	-1.0	-66.84	318.71	7.12	-59.72
CCOC1=CC=C(S(=O)(=O)N(C)CC2CC(F)C2)C=C1C(=O)[O-]	REAL300008164095	0	42	-1.0	-63.86	345.74	6.59	-57.27
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008164096	0	42	-1.0	-49.86	350.15	8.11	-41.75
CN(CC1CC(F)C1)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008164097	0	34	-1.0	-58.11	291.59	5.05	-53.06
CN(CC1CC(F)C1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008164098	0	40	-1.0	-57.77	351.53	6.47	-51.30
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)=N2	REAL300008164099	0	41	-1.0	-50.82	363.95	5.42	-45.40
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)=N2	REAL300008164100	0	41	-1.0	-55.88	363.99	5.41	-50.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC2=C(CC(C)CC2)S1	REAL300008164101	0	44	-1.0	-54.34	378.60	6.32	-48.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC2=C(CC(C)CC2)S1	REAL300008164102	0	45	-1.0	-56.29	384.37	5.24	-51.05
CC1=CC=C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)C=C1C(=O)[O-]	REAL300008164103	0	44	-1.0	-52.03	380.02	5.95	-46.08
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1)=N2	REAL300008164104	0	38	-1.0	-51.18	347.16	5.20	-45.98
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)=N2	REAL300008164105	0	41	-1.0	-55.88	363.99	5.41	-50.47
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)=N2	REAL300008164106	0	41	-1.0	-50.82	363.95	5.42	-45.40
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])=N2	REAL300008164107	0	41	-1.0	-54.79	353.30	6.28	-48.51
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1)=N2	REAL300008164108	0	39	-1.0	-53.91	352.51	3.13	-50.78
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)=N2	REAL300008164109	0	41	-1.0	-52.80	368.55	3.53	-49.27
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1)=N2	REAL300008164110	0	38	-1.0	-48.65	356.24	4.55	-44.10
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])=N2	REAL300008164111	0	38	-1.0	-54.23	340.10	2.45	-51.78
CC1CCC2=C(C1)SC(CNS(=O)(=O)N1CCCC(C(=O)[O-])C1)=N2	REAL300008164112	0	46	-1.0	-50.86	379.39	4.44	-46.42
CC1CCC2=C(C1)SC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)=N2	REAL300008164113	0	46	-1.0	-51.02	380.59	4.51	-46.51
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])=N2	REAL300008164114	0	41	-1.0	-54.79	353.30	6.28	-48.51
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)=N2	REAL300008164115	0	38	-1.0	-49.87	348.75	3.79	-46.08
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)O1	REAL300008164116	0	41	-1.0	-51.63	366.98	4.25	-47.38
CC1CCC2=C(C1)SC(CNS(=O)(=O)CCCC(=O)[O-])=N2	REAL300008164117	0	40	-1.0	-52.53	349.98	4.05	-48.48
CC1CCC2=C(C1)SC(CNS(=O)(=O)N1CCCC1C(=O)[O-])=N2	REAL300008164118	0	43	-1.0	-51.06	363.54	4.25	-46.81
CC1CCC2=C(C1)SC(CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)=N2	REAL300008164119	0	44	-1.0	-58.28	387.75	6.14	-52.14
CC1CCC2=C(C1)SC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)=N2	REAL300008164120	0	46	-1.0	-51.02	380.59	4.51	-46.51
CC1CCC2=C(C1)SC(CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)=N2	REAL300008164121	0	44	-1.0	-59.11	387.76	6.13	-52.98
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)=N2	REAL300008164122	0	38	-1.0	-49.87	348.75	3.79	-46.08
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)=N2	REAL300008164123	0	45	-1.0	-50.17	395.03	5.70	-44.47
CC1CCC2=C(C1)SC(CNS(=O)(=O)CCCC(=O)[O-])=N2	REAL300008164124	0	40	-1.0	-52.53	349.98	4.05	-48.48
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1)=N2	REAL300008164125	0	38	-1.0	-51.89	357.15	4.44	-47.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)=C1C	REAL300008164126	0	47	-1.0	-55.36	395.59	6.85	-48.51
CC1=CC=CC(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)=C1C(=O)[O-]	REAL300008164127	0	44	-1.0	-59.16	380.62	6.47	-52.69
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1)=N2	REAL300008164128	0	38	-1.0	-51.40	355.65	4.44	-46.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=NC2=C(CC(C)CC2)S1	REAL300008164129	0	44	-1.0	-52.29	373.19	6.19	-46.10
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)=N2	REAL300008164130	0	44	-1.0	-50.01	386.13	6.20	-43.81
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CO1)=N2	REAL300008164131	0	38	-1.0	-51.09	349.00	3.52	-47.57
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)=N2	REAL300008164132	0	44	-1.0	-53.40	386.16	6.19	-47.21
CC1=C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)C=C(C(=O)[O-])O1	REAL300008164133	0	41	-1.0	-52.64	368.69	4.53	-48.11
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)=N2	REAL300008164134	0	40	-1.0	-49.74	359.16	3.61	-46.13
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CSN=C1C(=O)[O-])=N2	REAL300008164135	0	37	-1.0	-55.53	341.48	3.67	-51.86
CC1CCC2=C(C1)SC(C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])=N2	REAL300008164135	1	36	-2.0	-129.59	340.08	3.30	-126.29
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1)=N2	REAL300008164136	0	37	-1.0	-57.70	345.57	3.13	-54.57
CC1CCC2=C(C1)SC(C[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)=N2	REAL300008164136	1	36	-2.0	-126.96	343.33	2.74	-124.22
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-])=N2	REAL300008164137	0	40	-1.0	-58.15	349.99	4.51	-53.64
CC1CCC2=C(C1)SC(CNS(=O)(=O)CCCCCC(=O)[O-])=N2	REAL300008164138	0	46	-1.0	-53.80	392.98	5.61	-48.19
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)=N2	REAL300008164139	0	40	-1.0	-52.58	359.85	3.62	-48.96
COC1=CC=C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)C=C1C(=O)[O-]	REAL300008164140	0	45	-1.0	-61.60	391.27	5.48	-56.12
CC1=CC(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)=CC=C1C(=O)[O-]	REAL300008164141	0	44	-1.0	-50.00	380.00	5.96	-44.04
CC1CCC2=C(C1)SC(CNS(=O)(=O)N(C)CCC(=O)[O-])=N2	REAL300008164142	0	42	-1.0	-50.15	363.32	3.64	-46.51
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=NC2=C(CC(C)CC2)S1	REAL300008164143	0	41	-1.0	-53.13	364.55	6.02	-47.11
CC1CCC2=C(C1)SC(CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)=N2	REAL300008164144	0	44	-1.0	-58.28	387.75	6.14	-52.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC2=C(CC(C)CC2)S1	REAL300008164145	0	45	-1.0	-56.29	384.37	5.24	-51.05
CC1=CC=C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)C=C1C(=O)[O-]	REAL300008164146	0	44	-1.0	-52.03	380.02	5.95	-46.08
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC2=C(CC(C)CC2)S1	REAL300008164147	0	44	-1.0	-54.34	378.60	6.32	-48.02
CC1CCC2=C(C1)SC(CNS(=O)(=O)CC1(CC(=O)[O-])CC1)=N2	REAL300008164148	0	44	-1.0	-49.89	374.56	5.28	-44.61
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)=N2	REAL300008164149	0	44	-1.0	-53.40	386.16	6.19	-47.21
CCC1=C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)C=C(C(=O)[O-])O1	REAL300008164150	0	44	-1.0	-52.16	388.33	5.33	-46.83
CC1=NC=C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)C=C1C(=O)[O-]	REAL300008164151	0	43	-1.0	-46.83	375.43	4.13	-42.70
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=NC2=C(CC(C)CC2)S1	REAL300008164152	0	45	-1.0	-49.91	384.42	5.24	-44.67
COC1=CC(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)=CC=C1C(=O)[O-]	REAL300008164153	0	45	-1.0	-55.92	391.26	5.49	-50.43
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)=N2	REAL300008164154	0	44	-1.0	-52.22	391.62	6.24	-45.98
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)=N2	REAL300008164155	0	41	-1.0	-49.88	355.97	3.75	-46.13
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)=C1	REAL300008164156	0	41	-1.0	-50.77	366.72	4.38	-46.39
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=C(C(=O)[O-])C=CO1)=N2	REAL300008164157	0	38	-1.0	-55.58	341.21	4.27	-51.31
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1(C(=O)[O-])CCC1)=N2	REAL300008164158	0	41	-1.0	-49.39	345.63	4.45	-44.94
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)=C1	REAL300008164159	0	45	-1.0	-52.91	382.69	5.61	-47.30
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])=N2	REAL300008164160	0	38	-1.0	-54.23	340.10	2.45	-51.78
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)=N2	REAL300008164161	0	41	-1.0	-49.88	355.97	3.75	-46.13
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)=N2	REAL300008164162	0	40	-1.0	-48.30	360.19	3.54	-44.76
CC1CCC2=C(C1)SC(CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])=N2	REAL300008164163	0	44	-1.0	-58.29	377.73	6.57	-51.72
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)=N2	REAL300008164164	0	38	-1.0	-47.77	363.63	4.06	-43.71
CC1CCC2=C(C1)SC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)=N2	REAL300008164164	1	37	-2.0	-98.56	361.39	3.69	-94.87
COC1=CC=C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)C(C(=O)[O-])=C1	REAL300008164165	0	45	-1.0	-55.67	382.74	5.59	-50.08
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)=N2	REAL300008164166	0	40	-1.0	-54.95	360.06	3.63	-51.32
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)=N2	REAL300008164167	0	38	-1.0	-45.58	345.47	1.72	-43.86
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)=N2	REAL300008164168	0	41	-1.0	-55.41	365.48	3.16	-52.25
CC1CCC2=C(C1)SC(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)=N2	REAL300008164169	0	41	-1.0	-52.05	352.36	4.45	-47.60
CC1CCC2=C(C1)SC(CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)=N2	REAL300008164170	0	44	-1.0	-54.77	371.00	5.13	-49.64
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)S1	REAL300008164171	0	41	-1.0	-51.75	374.07	5.10	-46.65
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])=N2	REAL300008164172	0	44	-1.0	-58.56	376.35	6.62	-51.94
CC1CCC2=C(C1)SC(CNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])=N2	REAL300008164173	0	41	-1.0	-54.44	360.62	4.75	-49.69
CC1CCC2=C(C1)SC(CNS(=O)(=O)N1CCCCC1C(=O)[O-])=N2	REAL300008164174	0	46	-1.0	-53.36	371.02	5.48	-47.88
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)=N2	REAL300008164175	0	38	-1.0	-45.58	345.47	1.72	-43.86
CC1CCC2=C(C1)SC(CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300008164176	0	43	-1.0	-52.04	366.07	4.11	-47.93
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])=N2	REAL300008164177	0	38	-1.0	-54.23	340.10	2.45	-51.78
CC1CCC2=C(C1)SC(CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])=N2	REAL300008164178	0	41	-1.0	-56.94	344.37	5.14	-51.80
CC1=CC(S(=O)(=O)NCC2=NC3=C(CC(C)CC3)S2)=CN=C1C(=O)[O-]	REAL300008164179	0	43	-1.0	-53.65	376.38	4.18	-49.47
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])=N2	REAL300008164180	0	44	-1.0	-58.56	376.35	6.62	-51.94
CC1CCC2=C(C1)SC(CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-])=N2	REAL300008164181	0	40	-1.0	-48.77	348.85	4.49	-44.28
CN(C)S(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164182	0	35	-1.0	-54.96	317.79	4.61	-50.35
CCCCS(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164183	0	39	-1.0	-49.86	346.84	6.74	-43.12
CCS(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164184	0	33	-1.0	-58.44	304.60	5.12	-53.32
CS(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164185	0	30	-1.0	-59.28	283.13	4.22	-55.06
CCCS(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164186	0	36	-1.0	-49.94	325.34	5.96	-43.98
CCN(C)S(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164187	0	38	-1.0	-54.58	335.87	5.37	-49.21
CCS(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164188	0	33	-1.0	-58.44	304.60	5.12	-53.32
CCCCS(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164189	0	39	-1.0	-49.86	346.84	6.74	-43.12
O=C([O-])C1=CC(Br)=CC2=C1OCCN(S(=O)(=O)C1CC1)C2	REAL300008164190	0	34	-1.0	-57.34	314.12	5.96	-51.38
COCCS(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164191	0	37	-1.0	-51.70	337.52	4.25	-47.45
O=C([O-])C1=CC(Br)=CC2=C1OCCN(S(=O)(=O)CC1CC1)C2	REAL300008164192	0	37	-1.0	-58.38	336.18	6.70	-51.68
C=CCCS(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164193	0	37	-1.0	-50.05	338.16	6.53	-43.52
O=C([O-])C1=CC(Br)=CC2=C1OCCN(S(=O)(=O)CCCF)C2	REAL300008164194	0	36	-1.0	-50.68	331.93	6.10	-44.58
C=C(C)CS(=O)(=O)N1CCOC2=C(C=C(Br)C=C2C(=O)[O-])C1	REAL300008164195	0	37	-1.0	-57.88	338.82	6.36	-51.52
CC1(S(=O)(=O)N2CCOC3=C(C=C(Br)C=C3C(=O)[O-])C2)CC1	REAL300008164196	0	37	-1.0	-48.16	315.08	6.25	-41.91
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1	REAL300008164197	0	39	-1.0	-48.10	309.27	5.40	-42.70
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164198	0	39	-1.0	-52.90	309.30	5.39	-47.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164199	0	42	-1.0	-55.17	324.14	6.58	-48.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164200	0	43	-1.0	-54.87	336.35	5.47	-49.40
CC1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1C(=O)[O-]	REAL300008164201	0	42	-1.0	-51.87	325.34	5.93	-45.94
O=C([O-])C1=C(S(=O)(=O)NC2CCC3CCC2C3)C=CS1	REAL300008164202	0	36	-1.0	-47.64	292.15	5.47	-42.17
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164203	0	39	-1.0	-52.90	309.30	5.39	-47.51
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1	REAL300008164204	0	39	-1.0	-48.10	309.27	5.40	-42.70
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164205	0	39	-1.0	-50.98	299.64	6.27	-44.71
O=C([O-])CN1C=C(S(=O)(=O)NC2CCC3CCC2C3)C=N1	REAL300008164206	0	39	-1.0	-49.20	313.92	3.47	-45.73
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)S1	REAL300008164207	0	36	-1.0	-47.18	301.46	4.53	-42.65
O=C([O-])C1CCCN(S(=O)(=O)NC2CCC3CCC2C3)C1	REAL300008164208	0	44	-1.0	-49.33	330.73	4.65	-44.68
O=C([O-])C1CCN(S(=O)(=O)NC2CCC3CCC2C3)CC1	REAL300008164209	0	44	-1.0	-45.88	326.88	4.82	-41.06
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164210	0	39	-1.0	-50.98	299.64	6.27	-44.71
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164211	0	39	-1.0	-44.56	316.40	6.81	-37.75
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3CCC2C3)O1	REAL300008164212	0	39	-1.0	-49.45	312.27	4.54	-44.91
O=C([O-])C1CCCN1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164213	0	41	-1.0	-58.08	308.13	4.77	-53.31
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCC3CCC2C3)C=C1	REAL300008164214	0	42	-1.0	-56.05	332.33	6.09	-49.96
O=C([O-])C1CCN(S(=O)(=O)NC2CCC3CCC2C3)CC1	REAL300008164215	0	44	-1.0	-45.88	326.88	4.82	-41.06
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164216	0	42	-1.0	-58.35	332.33	6.08	-52.27
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1	REAL300008164217	0	43	-1.0	-47.43	340.38	5.68	-41.75
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164218	0	43	-1.0	-46.64	347.20	6.65	-39.99
O=C([O-])C1=CSC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164219	0	36	-1.0	-49.34	302.49	4.73	-44.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1C	REAL300008164220	0	45	-1.0	-56.85	341.61	7.02	-49.83
CC1=CC=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1C(=O)[O-]	REAL300008164221	0	42	-1.0	-54.49	324.86	6.74	-47.75
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164222	0	46	-1.0	-53.43	364.32	5.09	-48.34
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3CCC2C3)=CS1	REAL300008164223	0	36	-1.0	-50.97	300.99	4.41	-46.56
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164224	0	42	-1.0	-42.79	335.90	7.51	-35.28
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164225	0	42	-1.0	-49.05	319.11	6.35	-42.70
O=C([O-])C1=C(S(=O)(=O)NC2CCC3CCC2C3)C2=CC=CC=C2S1	REAL300008164226	0	42	-1.0	-53.00	337.93	7.74	-45.26
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1	REAL300008164227	0	42	-1.0	-47.95	331.48	6.18	-41.77
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1[N+](=O)[O-]	REAL300008164228	0	44	-1.0	-42.30	347.60	6.43	-35.87
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164229	0	42	-1.0	-51.02	331.46	6.17	-44.85
CC1=C(S(=O)(=O)NC2CCC3CCC2C3)C=C(C(=O)[O-])O1	REAL300008164230	0	39	-1.0	-52.48	314.08	4.81	-47.67
O=C([O-])C1=CN=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164231	0	38	-1.0	-46.50	304.48	3.55	-42.95
O=C([O-])C1=NSC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164232	0	35	-1.0	-51.92	287.01	3.91	-48.01
O=C([O-])C1=C(S(=O)(=O)NC2CCC3CCC2C3)SC=N1	REAL300008164233	0	35	-1.0	-64.75	293.88	3.13	-61.62
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164234	0	38	-1.0	-54.23	296.45	4.49	-49.74
O=C([O-])CCCCCS(=O)(=O)NC1CCC2CCC1C2	REAL300008164235	0	44	-1.0	-51.78	337.43	5.55	-46.23
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=N1	REAL300008164236	0	38	-1.0	-50.29	305.17	3.59	-46.70
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164237	0	39	-1.0	-47.34	325.98	5.89	-41.45
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164238	0	39	-1.0	-47.32	330.54	6.00	-41.32
COC1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1C(=O)[O-]	REAL300008164239	0	43	-1.0	-58.09	336.61	5.46	-52.63
CC1=CC(S(=O)(=O)NC2CCC3CCC2C3)=CC=C1C(=O)[O-]	REAL300008164240	0	42	-1.0	-47.48	325.34	5.94	-41.54
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NC3CCC4CCC3C4)C=CC=C21	REAL300008164241	0	44	-1.0	-52.12	342.07	6.12	-46.00
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164242	0	46	-1.0	-53.43	364.32	5.09	-48.34
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164243	0	39	-1.0	-47.34	325.98	5.89	-41.45
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164244	0	39	-1.0	-49.68	312.88	6.10	-43.58
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164245	0	42	-1.0	-49.95	338.94	6.90	-43.05
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3CCC4CCC3C4)C=C21	REAL300008164246	0	45	-1.0	-50.31	356.24	6.73	-43.58
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCC3CCC2C3)C=C1	REAL300008164247	0	42	-1.0	-56.05	332.33	6.09	-49.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164248	0	43	-1.0	-54.87	336.35	5.47	-49.40
CC1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1C(=O)[O-]	REAL300008164249	0	42	-1.0	-51.87	325.34	5.93	-45.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164250	0	42	-1.0	-55.17	324.14	6.58	-48.59
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164251	0	43	-1.0	-45.92	344.79	5.44	-40.48
O=C([O-])CC1(CS(=O)(=O)NC2CCC3CCC2C3)CC1	REAL300008164252	0	42	-1.0	-47.51	319.40	5.27	-42.24
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164253	0	42	-1.0	-51.02	331.46	6.17	-44.85
COC1=C(S(=O)(=O)NC2CCC3CCC2C3)SC(C(=O)[O-])=C1	REAL300008164254	0	40	-1.0	-46.28	329.78	4.61	-41.67
O=C([O-])C1CC2=CC(S(=O)(=O)NC3CCC4CCC3C4)=CC=C2O1	REAL300008164255	0	44	-1.0	-48.56	346.11	6.07	-42.49
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1C(F)(F)F	REAL300008164256	0	42	-1.0	-46.84	339.44	6.20	-40.64
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3CCC4CCC3C4)C=C2)CC1	REAL300008164257	0	46	-1.0	-52.00	355.54	7.28	-44.72
CCC1=C(S(=O)(=O)NC2CCC3CCC2C3)C=C(C(=O)[O-])O1	REAL300008164258	0	42	-1.0	-52.67	335.06	5.36	-47.31
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164259	0	41	-1.0	-44.82	325.43	7.18	-37.64
O=C([O-])C1=CC2=CC(S(=O)(=O)NC3CCC4CCC3C4)=CC=C2S1	REAL300008164260	0	42	-1.0	-50.16	347.16	6.88	-43.28
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164261	0	41	-1.0	-39.44	327.67	6.93	-32.51
CC1=NC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1C(=O)[O-]	REAL300008164262	0	41	-1.0	-46.51	320.75	4.11	-42.40
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164263	0	43	-1.0	-48.08	337.39	5.47	-42.61
COC1=CC(S(=O)(=O)NC2CCC3CCC2C3)=CC=C1C(=O)[O-]	REAL300008164264	0	43	-1.0	-53.46	336.57	5.48	-47.98
COC1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C(CC(=O)[O-])=C1	REAL300008164265	0	46	-1.0	-57.77	350.76	6.21	-51.56
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1F	REAL300008164266	0	42	-1.0	-48.21	336.94	6.22	-41.99
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164267	0	42	-1.0	-45.69	348.30	6.38	-39.31
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1	REAL300008164268	0	48	-1.0	-48.93	362.46	7.04	-41.89
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164269	0	39	-1.0	-51.93	299.81	3.61	-48.32
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NC3CCC4CCC3C4)C=CC=C12	REAL300008164270	0	45	-1.0	-50.02	345.83	7.90	-42.12
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164271	0	39	-1.0	-50.89	313.12	4.42	-46.47
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164272	0	39	-1.0	-44.42	320.91	6.90	-37.52
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3CCC2C3)=CC=C1Cl	REAL300008164273	0	39	-1.0	-50.29	321.84	5.78	-44.51
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164274	0	43	-1.0	-49.22	326.65	5.81	-43.41
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC2CCC3CCC2C3)=C1OC	REAL300008164275	0	51	-1.0	-49.83	382.90	6.79	-43.04
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164276	0	39	-1.0	-51.93	299.81	3.61	-48.32
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1C(=O)[O-]	REAL300008164277	0	41	-2.0	-135.97	336.19	6.36	-129.61
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164278	0	46	-1.0	-53.03	354.40	5.81	-47.22
O=C([O-])C1=CC=NC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164279	0	38	-1.0	-47.78	305.40	3.47	-44.31
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC1CCC2CCC1C2	REAL300008164280	0	42	-1.0	-56.01	322.30	6.50	-49.51
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164281	0	36	-1.0	-45.71	308.93	4.35	-41.36
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3CCC2C3)=C1	REAL300008164281	1	35	-2.0	-96.16	304.67	4.20	-91.96
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C2=CC=CC=C12	REAL300008164282	0	45	-1.0	-50.19	345.49	7.91	-42.28
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164283	0	46	-1.0	-54.01	359.19	6.39	-47.62
COC1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C(C(=O)[O-])=C1	REAL300008164284	0	43	-1.0	-51.88	326.73	5.80	-46.08
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3CCC2C3)=CC=N1	REAL300008164285	0	38	-1.0	-54.88	305.38	3.61	-51.27
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164286	0	39	-1.0	-52.75	304.38	3.00	-49.75
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NC3CCC4CCC3C4)C=C2C=C1	REAL300008164287	0	45	-1.0	-51.06	355.20	7.66	-43.40
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC2CCC3CCC2C3)C1	REAL300008164288	0	42	-1.0	-53.11	314.20	5.01	-48.10
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3CCC2C3)S1	REAL300008164289	0	39	-1.0	-49.34	319.21	5.38	-43.96
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164290	0	45	-1.0	-54.22	344.55	8.81	-45.41
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2CCC3CCC2C3)=C1	REAL300008164291	0	42	-1.0	-45.58	334.18	7.22	-38.36
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164292	0	42	-1.0	-56.59	320.77	7.15	-49.44
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NC1CCC3CCC1C3)=C2	REAL300008164293	0	39	-1.0	-47.65	338.84	6.28	-41.37
O=C([O-])C1=NC(S(=O)(=O)NC2CCC3CCC2C3)=C2C=CC=CN21	REAL300008164294	0	42	-1.0	-66.35	336.46	4.11	-62.24
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC3CCC4CCC3C4)=C2C=C1	REAL300008164295	0	42	-1.0	-44.87	334.65	7.09	-37.78
O=C([O-])C1CCCCN1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164296	0	44	-1.0	-50.81	315.68	5.70	-45.11
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164297	0	41	-1.0	-59.36	312.08	4.24	-55.12
O=C([O-])C1=C(S(=O)(=O)NC2CCC3CCC2C3)C=C(Cl)S1	REAL300008164298	0	36	-1.0	-42.30	310.91	5.83	-36.47
CC1=CC(S(=O)(=O)NC2CCC3CCC2C3)=CN=C1C(=O)[O-]	REAL300008164299	0	41	-1.0	-50.68	321.94	4.14	-46.54
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164300	0	42	-1.0	-56.59	320.77	7.15	-49.44
CCOC1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1C(=O)[O-]	REAL300008164301	0	46	-1.0	-58.96	358.47	6.37	-52.59
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CCC4CCC3C4)C=C2C1	REAL300008164302	0	46	-1.0	-51.51	354.73	7.28	-44.23
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC1CCC2CCC1C2	REAL300008164303	0	38	-1.0	-45.03	295.19	4.48	-40.55
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC3CCC4CCC3C4)C=C2C=C1	REAL300008164304	0	44	-1.0	-54.14	351.06	5.77	-48.37
COC1CN(S(=O)(=O)C2=CC=CC(F)=C2)CCC1C(=O)[O-]	REAL300008164305	0	36	-1.0	-53.23	310.74	4.76	-48.47
COC1CN(S(=O)(=O)C2=CC=CC(C(C)=O)=C2)CCC1C(=O)[O-]	REAL300008164306	0	41	-1.0	-60.36	345.60	5.10	-55.26
CCCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164307	0	43	-1.0	-54.51	345.91	3.81	-50.70
COC1CN(S(=O)(=O)C2=CC=CS2)CCC1C(=O)[O-]	REAL300008164308	0	33	-1.0	-48.25	295.64	3.71	-44.54
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164309	0	48	-1.0	-50.58	385.50	6.66	-43.92
COC1CN(S(=O)(=O)C2=CC=C(C)S2)CCC1C(=O)[O-]	REAL300008164310	0	36	-1.0	-49.20	319.10	4.48	-44.72
COC1CN(S(=O)(=O)C2=CC=C(Cl)S2)CCC1C(=O)[O-]	REAL300008164311	0	33	-1.0	-47.54	312.73	3.73	-43.81
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164312	0	43	-1.0	-49.94	347.65	5.23	-44.71
COC1CN(S(=O)(=O)C2=CC(Br)=CC=C2C)CCC1C(=O)[O-]	REAL300008164313	0	39	-1.0	-46.11	328.58	5.66	-40.45
COC1CN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CCC1C(=O)[O-]	REAL300008164314	0	40	-1.0	-50.17	342.74	5.05	-45.12
COC1CN(S(=O)(=O)N2CCOCC2)CCC1C(=O)[O-]	REAL300008164315	0	39	-1.0	-54.01	316.23	0.85	-53.16
COC1CN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)CCC1C(=O)[O-]	REAL300008164316	0	42	-1.0	-61.24	367.53	1.59	-59.65
COC1CN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CCC1C(=O)[O-]	REAL300008164317	0	40	-1.0	-52.19	350.33	4.49	-47.70
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1OC	REAL300008164318	0	47	-1.0	-49.52	366.22	4.21	-45.31
COC1CN(S(=O)(=O)C2=CC=C(Cl)C=C2C)CCC1C(=O)[O-]	REAL300008164319	0	39	-1.0	-46.40	323.86	5.49	-40.91
COC1CN(S(=O)(=O)C2=CN(C)N=C2)CCC1C(=O)[O-]	REAL300008164320	0	36	-1.0	-55.89	308.88	2.41	-53.48
COC1CN(S(=O)(=O)N(C)C2CCCCC2)CCC1C(=O)[O-]	REAL300008164321	0	47	-1.0	-53.91	360.45	4.64	-49.27
COC1CN(S(=O)(=O)C2=C(C)N(C)N=C2C)CCC1C(=O)[O-]	REAL300008164322	0	42	-1.0	-52.46	331.05	3.48	-48.98
COC1CN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCC1C(=O)[O-]	REAL300008164323	0	52	-1.0	-50.59	408.71	7.87	-42.72
COC1CN(S(=O)(=O)C2=CC=C3OCCOC3=C2)CCC1C(=O)[O-]	REAL300008164324	0	42	-1.0	-56.11	350.87	3.26	-52.85
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164325	0	42	-1.0	-50.70	349.74	5.50	-45.20
COC1CN(S(=O)(=O)C2=CC=CC=C2Br)CCC1C(=O)[O-]	REAL300008164326	0	36	-1.0	-53.89	312.74	5.07	-48.82
COC1CN(S(=O)(=O)C2=CC=CC(Br)=C2)CCC1C(=O)[O-]	REAL300008164327	0	36	-1.0	-52.67	325.63	5.32	-47.35
COC1CN(S(=O)(=O)C2=CNN=C2C)CCC1C(=O)[O-]	REAL300008164328	0	36	-1.0	-51.23	294.08	1.41	-49.82
COC1CN(S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])CCC1C(=O)[O-]	REAL300008164329	0	41	-1.0	-57.47	331.42	5.62	-51.85
COC1CN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)CCC1C(=O)[O-]	REAL300008164330	0	42	-1.0	-51.54	368.84	6.10	-45.44
COC1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CCC1C(=O)[O-]	REAL300008164331	0	46	-1.0	-57.47	390.81	0.61	-56.86
COC1CN(S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)CCC1C(=O)[O-]	REAL300008164332	0	47	-1.0	-53.45	389.28	5.91	-47.54
COC1CN(S(=O)(=O)C2=CC(C)=CC(F)=C2)CCC1C(=O)[O-]	REAL300008164333	0	39	-1.0	-52.61	332.07	5.42	-47.19
COC1CN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)CCC1C(=O)[O-]	REAL300008164334	0	42	-1.0	-53.08	352.52	4.59	-48.49
COCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164335	0	43	-1.0	-51.48	361.89	3.80	-47.68
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=N1	REAL300008164336	0	42	-1.0	-52.81	353.29	2.31	-50.50
COC1CN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)CCC1C(=O)[O-]	REAL300008164337	0	45	-1.0	-61.47	391.85	2.28	-59.19
COC1CN(S(=O)(=O)CCCS(C)(=O)=O)CCC1C(=O)[O-]	REAL300008164338	0	41	-1.0	-60.39	355.84	0.12	-60.27
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(C)=C1C	REAL300008164339	0	46	-1.0	-49.09	352.76	4.91	-44.18
COC1CN(S(=O)(=O)CC2=CC=C(Br)C=C2)CCC1C(=O)[O-]	REAL300008164340	0	39	-1.0	-58.12	351.44	5.44	-52.68
COC1CN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)CCC1C(=O)[O-]	REAL300008164341	0	41	-1.0	-56.85	345.01	4.55	-52.30
COC1CN(S(=O)(=O)CC2=NOC=C2)CCC1C(=O)[O-]	REAL300008164342	0	35	-1.0	-53.73	303.39	2.15	-51.58
COC1CN(S(=O)(=O)C2=C(C)N(C)N=C2)CCC1C(=O)[O-]	REAL300008164343	0	39	-1.0	-49.01	317.16	2.56	-46.45
COC1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCC1C(=O)[O-]	REAL300008164344	0	46	-1.0	-62.33	379.75	-0.24	-62.57
COC1CN(S(=O)(=O)N(C)C2CCOCC2)CCC1C(=O)[O-]	REAL300008164345	0	45	-1.0	-48.77	350.95	1.99	-46.78
COC1CN(S(=O)(=O)N2CC3CCC2C3)CCC1C(=O)[O-]	REAL300008164346	0	42	-1.0	-50.10	329.15	3.44	-46.66
COC1CN(S(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)CCC1C(=O)[O-]	REAL300008164347	0	45	-1.0	-53.40	369.50	5.60	-47.80
CCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1C	REAL300008164348	0	45	-1.0	-54.67	360.94	4.55	-50.12
COC1CN(S(=O)(=O)C2=CN(C(C)C)N=C2)CCC1C(=O)[O-]	REAL300008164349	0	42	-1.0	-55.88	351.14	3.19	-52.69
COC1CN(S(=O)(=O)C2=CN(CC(C)C)C=N2)CCC1C(=O)[O-]	REAL300008164350	0	45	-1.0	-53.71	368.37	5.69	-48.02
COC1CN(S(=O)(=O)C2=CN(C(C)C)C=N2)CCC1C(=O)[O-]	REAL300008164351	0	42	-1.0	-54.23	349.36	5.15	-49.08
COC1CN(S(=O)(=O)C2=CNC(C(C)C)=N2)CCC1C(=O)[O-]	REAL300008164352	0	42	-1.0	-54.43	347.72	3.21	-51.22
COC1CN(S(=O)(=O)C2=CC=CC=C2C(C)(C)C)CCC1C(=O)[O-]	REAL300008164353	0	48	-1.0	-47.06	347.81	7.57	-39.49
COC1CN(S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)CCC1C(=O)[O-]	REAL300008164354	0	44	-1.0	-63.52	370.35	4.10	-59.42
COC1CN(S(=O)(=O)CC2CCCOC2)CCC1C(=O)[O-]	REAL300008164355	0	43	-1.0	-50.66	340.63	2.80	-47.86
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1OC	REAL300008164356	0	44	-1.0	-53.31	369.08	4.21	-49.10
COC1CN(S(=O)(=O)C2=CC=C(C)C(Br)=C2)CCC1C(=O)[O-]	REAL300008164357	0	39	-1.0	-53.96	343.65	5.36	-48.60
COC1CN(S(=O)(=O)C2=CC=CC(F)=C2C)CCC1C(=O)[O-]	REAL300008164358	0	39	-1.0	-49.89	312.15	4.98	-44.91
COC1CN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCC1C(=O)[O-]	REAL300008164359	0	42	-1.0	-49.06	354.36	7.43	-41.63
COC1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCC1C(=O)[O-]	REAL300008164360	0	40	-1.0	-55.66	349.61	3.81	-51.85
COC1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCC1C(=O)[O-]	REAL300008164361	0	43	-1.0	-52.32	362.93	6.36	-45.96
COC1CN(S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)CCC1C(=O)[O-]	REAL300008164362	0	51	-1.0	-50.64	393.79	5.93	-44.71
COC1CN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)CCC1C(=O)[O-]	REAL300008164363	0	39	-1.0	-52.74	339.02	4.94	-47.80
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164364	0	47	-1.0	-50.60	381.29	4.29	-46.31
COCCC(C)S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164365	0	42	-1.0	-57.81	338.33	2.49	-55.32
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164366	0	40	-1.0	-48.25	332.63	4.64	-43.61
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164367	0	47	-1.0	-51.04	380.19	5.09	-45.95
COC1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CCC1C(=O)[O-]	REAL300008164368	0	54	-1.0	-52.59	390.28	5.77	-46.82
COC1CN(S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)CCC1C(=O)[O-]	REAL300008164369	0	44	-1.0	-55.59	360.46	6.35	-49.24
COC1CN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCC1C(=O)[O-]	REAL300008164370	0	44	-1.0	-63.18	371.19	5.99	-57.19
CCN(CC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164371	0	44	-1.0	-52.40	356.12	5.25	-47.15
COC1CN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCC1C(=O)[O-]	REAL300008164372	0	47	-1.0	-54.93	381.38	3.23	-51.70
CCCN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164373	0	42	-1.0	-52.29	351.12	5.47	-46.82
COCCOCCOCCS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164374	0	50	-1.0	-54.90	415.33	1.40	-53.50
COC1CN(S(=O)(=O)CCOCC2CC2)CCC1C(=O)[O-]	REAL300008164375	0	43	-1.0	-50.10	355.85	3.99	-46.11
COC1CN(S(=O)(=O)CC(C)COC2CCCC2)CCC1C(=O)[O-]	REAL300008164376	0	52	-1.0	-49.79	407.41	5.46	-44.33
COCC(C)CS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164377	0	42	-1.0	-50.11	340.87	2.40	-47.71
CCOCC(C)CS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164378	0	45	-1.0	-49.93	362.73	3.38	-46.55
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164379	0	43	-1.0	-52.48	372.80	4.99	-47.49
COC1CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)CCC1C(=O)[O-]	REAL300008164380	0	44	-1.0	-54.69	362.39	2.45	-52.24
COC1CN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCC1C(=O)[O-]	REAL300008164381	0	40	-1.0	-49.10	342.50	4.90	-44.20
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=CC=C1[N+](=O)[O-]	REAL300008164382	0	42	-1.0	-55.71	361.90	4.85	-50.86
COC1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)CCC1C(=O)[O-]	REAL300008164383	0	42	-1.0	-46.61	345.88	5.97	-40.64
COC1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)CCC1C(=O)[O-]	REAL300008164384	0	42	-1.0	-46.06	346.31	6.02	-40.04
COC1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)CCC1C(=O)[O-]	REAL300008164385	0	42	-1.0	-52.81	360.81	5.61	-47.20
COC1CN(S(=O)(=O)C2=CC=CC=C2C(C)C)CCC1C(=O)[O-]	REAL300008164386	0	45	-1.0	-47.96	347.33	6.82	-41.14
COC1CN(S(=O)(=O)CCCN2CCOCC2)CCC1C(=O)[O-]	REAL300008164387	0	48	-1.0	-51.25	380.54	1.06	-50.19
CCOC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164388	0	43	-1.0	-54.54	355.68	4.92	-49.62
COCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=N1	REAL300008164389	0	43	-1.0	-55.30	364.09	2.31	-52.99
COC1CN(S(=O)(=O)CCC(C)(C)C)CCC1C(=O)[O-]	REAL300008164390	0	44	-1.0	-49.61	347.43	4.27	-45.34
COC1CN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCC1C(=O)[O-]	REAL300008164391	0	43	-1.0	-55.68	371.20	4.60	-51.08
COC1CN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCC1C(=O)[O-]	REAL300008164392	0	44	-1.0	-55.55	380.33	6.26	-49.29
COC1CN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCC1C(=O)[O-]	REAL300008164393	0	41	-1.0	-56.57	347.56	4.47	-52.10
COC1CN(S(=O)(=O)CC2=CC=CC(Br)=C2)CCC1C(=O)[O-]	REAL300008164394	0	39	-1.0	-49.61	349.70	5.49	-44.12
COC1CN(S(=O)(=O)CC2=CC=CC=C2Br)CCC1C(=O)[O-]	REAL300008164395	0	39	-1.0	-51.86	347.38	5.37	-46.49
COC1CN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCC1C(=O)[O-]	REAL300008164396	0	43	-1.0	-67.77	370.98	1.96	-65.81
COC1CN(S(=O)(=O)N2CCC(C)C2)CCC1C(=O)[O-]	REAL300008164397	0	41	-1.0	-52.60	329.06	3.61	-48.99
COC1CN(S(=O)(=O)C2=CC(C)=CC(Br)=C2)CCC1C(=O)[O-]	REAL300008164398	0	39	-1.0	-52.20	346.95	5.97	-46.23
COC1CN(S(=O)(=O)C2=CC=CC(Br)=C2C)CCC1C(=O)[O-]	REAL300008164399	0	39	-1.0	-48.93	324.75	5.47	-43.46
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164400	0	43	-1.0	-49.20	340.52	4.30	-44.90
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1Cl	REAL300008164401	0	44	-1.0	-50.42	373.17	4.41	-46.01
COC1CN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCC1C(=O)[O-]	REAL300008164402	0	39	-1.0	-59.48	350.34	3.17	-56.31
COC1CN(S(=O)(=O)C2=CN(CC(F)F)N=C2)CCC1C(=O)[O-]	REAL300008164403	0	39	-1.0	-57.76	342.18	3.58	-54.18
COC1CN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)CCC1C(=O)[O-]	REAL300008164404	0	47	-1.0	-53.65	381.77	5.95	-47.70
COC1CN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CCC1C(=O)[O-]	REAL300008164405	0	39	-1.0	-54.30	338.08	3.70	-50.60
COC1CN(S(=O)(=O)C2=CC=CC=C2SC)CCC1C(=O)[O-]	REAL300008164406	0	40	-1.0	-56.06	332.90	5.47	-50.59
CCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164407	0	42	-1.0	-53.31	347.22	6.13	-47.18
CCC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164408	0	45	-1.0	-58.30	373.03	6.26	-52.04
COC1CN(S(=O)(=O)CCC2=CC=CS2)CCC1C(=O)[O-]	REAL300008164409	0	39	-1.0	-56.87	341.87	4.69	-52.18
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164410	0	45	-1.0	-60.12	386.50	3.11	-57.01
COC1CN(S(=O)(=O)CC2=CC=C(C)C(C)=C2)CCC1C(=O)[O-]	REAL300008164411	0	45	-1.0	-50.30	366.82	6.08	-44.22
COC1CN(S(=O)(=O)N(C)CC(C)C)CCC1C(=O)[O-]	REAL300008164412	0	43	-1.0	-54.45	336.41	3.94	-50.51
COC1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCC1C(=O)[O-]	REAL300008164413	0	40	-1.0	-48.94	352.88	5.36	-43.58
COC1CN(S(=O)(=O)N(C)C2CCCC2)CCC1C(=O)[O-]	REAL300008164414	0	44	-1.0	-48.67	343.83	3.81	-44.86
COC1CN(S(=O)(=O)N2CCOC(C)(C)C2)CCC1C(=O)[O-]	REAL300008164415	0	45	-1.0	-52.66	349.40	2.94	-49.72
COC1CN(S(=O)(=O)CC2=CC(C)=NO2)CCC1C(=O)[O-]	REAL300008164416	0	38	-1.0	-53.25	327.58	2.95	-50.30
COC1CN(S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)CCC1C(=O)[O-]	REAL300008164417	0	48	-1.0	-55.28	394.98	6.22	-49.06
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164418	0	43	-1.0	-58.49	370.70	-1.18	-59.67
COC1CN(S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)CCC1C(=O)[O-]	REAL300008164419	0	42	-1.0	-50.50	360.67	5.88	-44.62
COC1CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCC1C(=O)[O-]	REAL300008164420	0	39	-1.0	-48.57	359.44	6.65	-41.92
COC1CN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)CCC1C(=O)[O-]	REAL300008164421	0	39	-1.0	-50.58	351.52	6.30	-44.28
COC1CN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CCC1C(=O)[O-]	REAL300008164422	0	42	-1.0	-51.05	356.70	7.52	-43.53
COC1CN(S(=O)(=O)CCC2CCCO2)CCC1C(=O)[O-]	REAL300008164423	0	43	-1.0	-52.24	348.73	2.92	-49.32
COC1CN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCC1C(=O)[O-]	REAL300008164424	0	42	-1.0	-51.33	367.84	5.84	-45.49
COC1CN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)CCC1C(=O)[O-]	REAL300008164425	0	47	-1.0	-53.38	388.00	5.43	-47.95
COC1CN(S(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)CCC1C(=O)[O-]	REAL300008164426	0	45	-1.0	-54.73	371.52	7.04	-47.69
COC1CN(S(=O)(=O)C2=CC=C(C)C(N(C)C)=C2)CCC1C(=O)[O-]	REAL300008164427	0	47	-1.0	-54.33	379.05	4.83	-49.50
COC1CN(S(=O)(=O)C2=C3OCCCN3N=C2)CCC1C(=O)[O-]	REAL300008164428	0	41	-1.0	-51.56	340.29	1.64	-49.92
COC1CN(S(=O)(=O)CCOCC2CCCC2)CCC1C(=O)[O-]	REAL300008164429	0	49	-1.0	-50.98	391.60	4.55	-46.43
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1Cl	REAL300008164430	0	43	-1.0	-47.21	353.03	4.87	-42.34
COC1CN(S(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)CCC1C(=O)[O-]	REAL300008164431	0	45	-1.0	-59.01	391.32	2.32	-56.69
COC1CN(S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)CCC1C(=O)[O-]	REAL300008164432	0	40	-1.0	-54.76	359.25	5.63	-49.13
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164433	0	48	-1.0	-53.93	370.86	4.80	-49.13
COC1CN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CCC1C(=O)[O-]	REAL300008164434	0	44	-1.0	-55.38	375.41	3.25	-52.13
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C(OC)C3)C=C12	REAL300008164435	0	43	-1.0	-55.52	365.56	2.41	-53.11
COC1CN(S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)CCC1C(=O)[O-]	REAL300008164436	0	41	-1.0	-55.51	348.69	3.82	-51.69
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(CC)=C1	REAL300008164437	0	54	-1.0	-49.15	399.03	7.96	-41.19
COC1CN(S(=O)(=O)C2=CN3CCCCC3=N2)CCC1C(=O)[O-]	REAL300008164438	0	43	-1.0	-55.30	349.74	4.75	-50.55
COC1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCC1C(=O)[O-]	REAL300008164439	0	42	-1.0	-53.04	372.86	2.77	-50.27
COC1CN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCC1C(=O)[O-]	REAL300008164440	0	45	-1.0	-54.86	359.31	8.51	-46.35
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(C)=C1F	REAL300008164441	0	43	-1.0	-45.46	343.59	4.94	-40.52
COC1CN(S(=O)(=O)CC2(C)CCCCC2)CCC1C(=O)[O-]	REAL300008164442	0	48	-1.0	-46.56	353.57	6.22	-40.34
COC1CN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCC1C(=O)[O-]	REAL300008164443	0	45	-1.0	-55.97	366.01	5.59	-50.38
COC1CN(S(=O)(=O)C2=C(C)N(CC[NH+](C)C)N=C2C)CCC1C(=O)[O-]	REAL300008164444	0	54	0.0	-73.90	411.89	5.68	-68.22
COC1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CCC1C(=O)[O-]	REAL300008164445	0	44	-1.0	-54.94	376.26	5.35	-49.59
COC1CN(S(=O)(=O)C2=CN=NN2C)CCC1C(=O)[O-]	REAL300008164446	0	35	-1.0	-50.43	293.26	1.01	-49.42
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164447	0	43	-1.0	-53.10	376.06	4.92	-48.18
COC1CN(S(=O)(=O)CC2=CC=C(C)C=C2F)CCC1C(=O)[O-]	REAL300008164448	0	42	-1.0	-52.93	357.37	5.50	-47.43
COC1CN(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300008164449	0	48	0.0	-74.56	385.19	5.98	-68.58
COC1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCC1C(=O)[O-]	REAL300008164450	0	36	-1.0	-47.97	337.85	4.88	-43.09
COC1CN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)CCC1C(=O)[O-]	REAL300008164451	0	49	-1.0	-59.39	392.93	7.45	-51.94
COC1CN(S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)CCC1C(=O)[O-]	REAL300008164452	0	47	-1.0	-53.34	388.77	4.80	-48.54
COC1CN(S(=O)(=O)CCC2CCC2)CCC1C(=O)[O-]	REAL300008164453	0	42	-1.0	-49.79	340.41	4.65	-45.14
COC1CN(S(=O)(=O)CCCC(C)(C)C)CCC1C(=O)[O-]	REAL300008164454	0	47	-1.0	-49.57	368.93	5.03	-44.54
COC1CN(S(=O)(=O)CC2CCCS(=O)(=O)C2)CCC1C(=O)[O-]	REAL300008164455	0	45	-1.0	-66.69	364.40	1.30	-65.39
COC1CN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCC1C(=O)[O-]	REAL300008164456	0	39	-1.0	-50.88	340.09	5.23	-45.65
COC1CN(S(=O)(=O)CCC2=C(C)N=CS2)CCC1C(=O)[O-]	REAL300008164457	0	41	-1.0	-52.63	356.08	3.33	-49.30
COCC1(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)CC1	REAL300008164458	0	40	-1.0	-50.81	329.09	3.10	-47.71
COC1CN(S(=O)(=O)CC23CCC(CC2)C3)CCC1C(=O)[O-]	REAL300008164459	0	46	-1.0	-57.12	352.10	5.53	-51.59
COC1CN(S(=O)(=O)CC2CC(F)(F)C2)CCC1C(=O)[O-]	REAL300008164460	0	39	-1.0	-59.64	331.65	4.05	-55.59
COC1=CC=C2C=C(S(=O)(=O)N3CCC(C(=O)[O-])C(OC)C3)CCC2=C1	REAL300008164461	0	48	-1.0	-54.54	388.32	6.41	-48.13
COC1CN(S(=O)(=O)CC23CCC(CC2)CC3)CCC1C(=O)[O-]	REAL300008164462	0	49	-1.0	-57.04	363.80	6.12	-50.92
COC1CN(S(=O)(=O)CCC2CCOC2)CCC1C(=O)[O-]	REAL300008164463	0	43	-1.0	-51.70	346.15	2.59	-49.11
COC1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)CCC1C(=O)[O-]	REAL300008164464	0	47	-1.0	-61.71	380.10	1.20	-60.51
COC1CN(S(=O)(=O)CC2CCCCC2(F)F)CCC1C(=O)[O-]	REAL300008164465	0	45	-1.0	-49.47	356.33	5.91	-43.56
COC1CN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CCC1C(=O)[O-]	REAL300008164466	0	43	-1.0	-48.22	353.41	6.88	-41.34
COC1CN(S(=O)(=O)C2=NN(C)C=C2)CCC1C(=O)[O-]	REAL300008164467	0	36	-1.0	-53.90	308.77	2.31	-51.59
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1[N+](=O)[O-]	REAL300008164468	0	44	-1.0	-56.95	368.78	5.95	-51.00
COC1CN(S(=O)(=O)C2=CC=C(Cl)C=C2)CCC1C(=O)[O-]	REAL300008164469	0	36	-1.0	-49.82	323.55	4.59	-45.23
COC1CN(S(=O)(=O)C2=CC=C(Br)C=C2)CCC1C(=O)[O-]	REAL300008164470	0	36	-1.0	-49.77	328.12	4.70	-45.07
COC1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CCC1C(=O)[O-]	REAL300008164471	0	38	-1.0	-51.92	335.07	4.73	-47.19
COC1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CCC1C(=O)[O-]	REAL300008164472	0	42	-1.0	-55.72	350.12	6.45	-49.27
COC1CN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCC1C(=O)[O-]	REAL300008164473	0	38	-1.0	-56.20	332.55	5.37	-50.83
COC1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)CCC1C(=O)[O-]	REAL300008164474	0	41	-1.0	-47.74	335.50	5.70	-42.04
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164475	0	40	-1.0	-51.69	336.34	3.36	-48.33
COC1CN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCC1C(=O)[O-]	REAL300008164476	0	38	-1.0	-51.37	312.83	6.41	-44.96
COC1CN(S(=O)(=O)C2=CC=C(C)C=C2)CCC1C(=O)[O-]	REAL300008164477	0	39	-1.0	-51.04	328.23	4.75	-46.29
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164478	0	43	-1.0	-51.63	358.19	4.28	-47.35
COC1CN(S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)CCC1C(=O)[O-]	REAL300008164479	0	48	-1.0	-52.33	361.46	7.16	-45.17
COC1CN(S(=O)(=O)C2=C(C)C=C(C)C=C2C)CCC1C(=O)[O-]	REAL300008164480	0	45	-1.0	-50.53	349.59	6.02	-44.51
COC1CN(S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)CCC1C(=O)[O-]	REAL300008164481	0	51	-1.0	-47.31	383.73	7.33	-39.98
COC1CN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CCC1C(=O)[O-]	REAL300008164482	0	39	-1.0	-53.35	343.39	5.70	-47.65
COC1CN(S(=O)(=O)C2=CC=CC(C)=C2)CCC1C(=O)[O-]	REAL300008164483	0	39	-1.0	-53.45	325.74	5.36	-48.09
COC1CN(S(=O)(=O)C=CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300008164484	0	40	-1.0	-55.27	336.07	5.34	-49.93
COC1CN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCC1C(=O)[O-]	REAL300008164485	0	39	-1.0	-46.84	320.76	6.09	-40.75
COC1CN(S(=O)(=O)C2=CC=CC(Cl)=C2)CCC1C(=O)[O-]	REAL300008164486	0	36	-1.0	-52.76	321.06	5.21	-47.55
COC1CN(S(=O)(=O)C2=CC=C(C(C)=O)C=C2)CCC1C(=O)[O-]	REAL300008164487	0	41	-1.0	-54.11	347.31	4.46	-49.65
COC1CN(S(=O)(=O)C2=CC(C)=CC=C2C)CCC1C(=O)[O-]	REAL300008164488	0	42	-1.0	-47.75	328.98	5.68	-42.07
COC1CN(S(=O)(=O)C2=CC=C(C)C(C)=C2)CCC1C(=O)[O-]	REAL300008164489	0	42	-1.0	-54.71	344.80	5.30	-49.41
COC1CN(S(=O)(=O)C2=CC=C(C)C=C2C)CCC1C(=O)[O-]	REAL300008164490	0	42	-1.0	-47.85	328.56	5.64	-42.21
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1[N+](=O)[O-]	REAL300008164491	0	42	-1.0	-59.74	359.56	4.90	-54.84
COC1CN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)CCC1C(=O)[O-]	REAL300008164492	0	48	-1.0	-50.74	383.03	6.39	-44.35
COC1CN(S(=O)(=O)C2=CC=C(C(C)C)C=C2)CCC1C(=O)[O-]	REAL300008164493	0	45	-1.0	-50.67	367.07	5.99	-44.68
CCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164494	0	45	-1.0	-50.56	371.21	6.29	-44.27
COC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164495	0	40	-1.0	-50.00	326.24	4.57	-45.43
COC1CN(S(=O)(=O)CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300008164496	0	39	-1.0	-58.42	330.14	4.81	-53.61
COC1CN(S(=O)(=O)C2=CC=C(Br)C(C)=C2)CCC1C(=O)[O-]	REAL300008164497	0	39	-1.0	-52.86	343.55	5.34	-47.52
COC1CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CCC1C(=O)[O-]	REAL300008164498	0	40	-1.0	-50.04	352.83	3.85	-46.19
COC1CN(S(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)CCC1C(=O)[O-]	REAL300008164499	0	51	-1.0	-54.67	373.81	6.98	-47.69
COC1CN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CCC1C(=O)[O-]	REAL300008164500	0	45	-1.0	-56.05	366.89	4.10	-51.95
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164501	0	52	-1.0	-49.44	402.42	6.89	-42.55
COC1CN(S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)CCC1C(=O)[O-]	REAL300008164502	0	41	-1.0	-56.89	348.27	5.35	-51.54
COC1CN(S(=O)(=O)C2=C(C)NN=C2C)CCC1C(=O)[O-]	REAL300008164503	0	39	-1.0	-53.59	318.42	2.45	-51.14
COC1CN(S(=O)(=O)C2=C(C)C=C(C(C)(C)C)C=C2C)CCC1C(=O)[O-]	REAL300008164504	0	54	-1.0	-48.86	399.90	7.72	-41.14
COC1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CCC1C(=O)[O-]	REAL300008164505	0	39	-1.0	-50.11	345.57	5.07	-45.04
COC1CN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CCC1C(=O)[O-]	REAL300008164506	0	46	-1.0	-53.27	366.96	7.18	-46.09
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164507	0	44	-1.0	-50.45	355.69	3.86	-46.59
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1OC	REAL300008164508	0	44	-1.0	-56.30	362.77	3.36	-52.94
COC1CN(S(=O)(=O)C2=CC=C3CCCC3=C2)CCC1C(=O)[O-]	REAL300008164509	0	43	-1.0	-53.48	349.80	6.59	-46.89
COC1CN(S(=O)(=O)C2=C(C)ON=C2C)CCC1C(=O)[O-]	REAL300008164510	0	38	-1.0	-51.86	316.50	3.61	-48.25
COC1CN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CCC1C(=O)[O-]	REAL300008164511	0	44	-1.0	-51.53	361.34	6.49	-45.04
COC1CN(S(=O)(=O)C2=CC=C3OCCC3=C2)CCC1C(=O)[O-]	REAL300008164512	0	41	-1.0	-53.91	340.18	4.54	-49.37
COC1CN(S(=O)(=O)C2=CC=C(CCC(C)C)C=C2)CCC1C(=O)[O-]	REAL300008164513	0	51	-1.0	-50.40	410.28	7.58	-42.82
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1OCC	REAL300008164514	0	50	-1.0	-55.97	406.59	5.21	-50.76
COC1CN(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)CCC1C(=O)[O-]	REAL300008164515	0	41	-1.0	-58.36	361.01	-0.97	-59.33
COC1CN(S(=O)(=O)C2=CC(C)=C(C)C([N+](=O)[O-])=C2)CCC1C(=O)[O-]	REAL300008164516	0	44	-1.0	-55.06	365.94	6.41	-48.65
COC1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)CCC1C(=O)[O-]	REAL300008164517	0	44	-1.0	-47.29	353.44	6.23	-41.06
COC1CN(S(=O)(=O)N2CCCCCC2)CCC1C(=O)[O-]	REAL300008164518	0	44	-1.0	-48.91	340.23	4.17	-44.74
COC1CN(S(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)CCC1C(=O)[O-]	REAL300008164519	0	44	-1.0	-55.25	360.69	6.41	-48.84
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C([N+](=O)[O-])=C1	REAL300008164520	0	42	-1.0	-47.90	345.14	5.73	-42.17
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164521	0	40	-1.0	-48.17	343.14	5.11	-43.06
COC1CN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)CCC1C(=O)[O-]	REAL300008164522	0	41	-1.0	-59.76	358.51	-0.35	-60.11
COC1CN(S(=O)(=O)N(C)CC2=C(F)C=CC=C2Cl)CCC1C(=O)[O-]	REAL300008164523	0	44	-1.0	-51.57	374.47	5.65	-45.92
COC1CN(S(=O)(=O)N2CCCCC2)CCC1C(=O)[O-]	REAL300008164524	0	41	-1.0	-53.35	324.98	3.27	-50.08
COC1CN(S(=O)(=O)N2CCC3=CC=CC=C3C2)CCC1C(=O)[O-]	REAL300008164525	0	45	-1.0	-48.26	359.62	5.99	-42.27
COC1CN(S(=O)(=O)C2=CC=C(C)C3=NC=CC=C23)CCC1C(=O)[O-]	REAL300008164526	0	44	-1.0	-50.76	355.24	5.96	-44.80
COC1CN(S(=O)(=O)C2=CC(C)=C(C)C=C2[N+](=O)[O-])CCC1C(=O)[O-]	REAL300008164527	0	44	-1.0	-50.01	354.11	7.63	-42.38
COC1CN(S(=O)(=O)N2CCC(C)CC2)CCC1C(=O)[O-]	REAL300008164528	0	44	-1.0	-49.00	339.43	4.28	-44.72
COC1CN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CCC1C(=O)[O-]	REAL300008164529	0	48	-1.0	-63.20	389.98	3.49	-59.71
COC1CN(S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)CCC1C(=O)[O-]	REAL300008164530	0	42	-1.0	-61.85	364.96	2.21	-59.64
COC1CN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CCC1C(=O)[O-]	REAL300008164531	0	46	-1.0	-50.34	365.15	8.55	-41.79
COC1CN(S(=O)(=O)N2CC(C)CC(C)C2)CCC1C(=O)[O-]	REAL300008164532	0	47	-1.0	-53.64	366.16	4.46	-49.18
COC1CN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CCC1C(=O)[O-]	REAL300008164533	0	42	-1.0	-51.58	340.00	7.01	-44.57
COC1CN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CCC1C(=O)[O-]	REAL300008164534	0	46	-1.0	-52.65	381.03	7.48	-45.17
COC1CN(S(=O)(=O)C2=CC(F)=CC=C2C)CCC1C(=O)[O-]	REAL300008164535	0	39	-1.0	-46.56	313.69	5.11	-41.45
COC1CN(S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)CCC1C(=O)[O-]	REAL300008164536	0	50	-1.0	-48.67	387.58	7.04	-41.63
COC1CN(S(=O)(=O)C2=CC=CC3=NSN=C32)CCC1C(=O)[O-]	REAL300008164537	0	37	-1.0	-53.71	325.53	3.14	-50.57
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164538	0	40	-1.0	-47.99	342.98	5.09	-42.90
COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164539	0	40	-1.0	-54.68	333.83	3.99	-50.69
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164540	0	51	-1.0	-50.71	397.28	6.85	-43.86
COC1CN(S(=O)(=O)C2=CC=C(C)C(Cl)=C2)CCC1C(=O)[O-]	REAL300008164541	0	39	-1.0	-53.99	339.62	5.27	-48.72
COC1CN(S(=O)(=O)C2=CC=C(OC(C)C)C=C2)CCC1C(=O)[O-]	REAL300008164542	0	46	-1.0	-51.52	376.08	4.92	-46.60
CCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164543	0	42	-1.0	-47.18	325.62	6.49	-40.69
COC1CN(S(=O)(=O)C2=CC=CC=C2C)CCC1C(=O)[O-]	REAL300008164544	0	39	-1.0	-47.79	307.21	4.98	-42.81
COC1CN(S(=O)(=O)C2=CN(C)C(C)=N2)CCC1C(=O)[O-]	REAL300008164545	0	39	-1.0	-55.82	327.44	3.66	-52.16
COC1CN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CCC1C(=O)[O-]	REAL300008164546	0	39	-1.0	-49.69	345.13	5.39	-44.30
COC1CN(S(=O)(=O)C2=CC=CC3=NON=C32)CCC1C(=O)[O-]	REAL300008164547	0	37	-1.0	-55.98	318.89	3.49	-52.49
COC1CN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CCC1C(=O)[O-]	REAL300008164548	0	41	-1.0	-54.48	337.80	5.80	-48.68
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164549	0	42	-1.0	-49.20	354.44	5.24	-43.96
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1F	REAL300008164550	0	40	-1.0	-56.11	339.76	3.53	-52.58
COC1CN(S(=O)(=O)C2=CC=C(C)C(F)=C2)CCC1C(=O)[O-]	REAL300008164551	0	39	-1.0	-54.33	330.87	4.87	-49.46
COC1CN(S(=O)(=O)CC2=CC=C(C)C=C2)CCC1C(=O)[O-]	REAL300008164552	0	42	-1.0	-51.58	352.02	5.50	-46.08
COC1CN(S(=O)(=O)C2=CN(C)C=N2)CCC1C(=O)[O-]	REAL300008164553	0	36	-1.0	-55.08	307.93	3.86	-51.22
COC1CN(S(=O)(=O)C2=CC=CN=C2)CCC1C(=O)[O-]	REAL300008164554	0	35	-1.0	-53.83	299.32	2.92	-50.91
COC1CN(S(=O)(=O)N2CCCCC2C)CCC1C(=O)[O-]	REAL300008164555	0	44	-1.0	-53.28	329.33	3.87	-49.41
CCCN(CCC)S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164556	0	46	-1.0	-48.62	364.36	4.39	-44.23
COC1CN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CCC1C(=O)[O-]	REAL300008164557	0	39	-1.0	-50.67	362.53	5.79	-44.88
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C2=CC=CC=C12	REAL300008164558	0	46	-1.0	-50.89	368.31	6.37	-44.52
COC1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)CCC1C(=O)[O-]	REAL300008164559	0	41	-1.0	-47.04	337.11	6.27	-40.77
COC1CN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)CCC1C(=O)[O-]	REAL300008164560	0	41	-1.0	-53.85	331.12	5.48	-48.37
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164561	0	44	-1.0	-57.25	354.02	7.17	-50.08
COC1CN(S(=O)(=O)C2=CC=C(CC(C)C)C=C2)CCC1C(=O)[O-]	REAL300008164562	0	48	-1.0	-50.49	387.98	6.76	-43.73
COCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164563	0	46	-1.0	-51.55	383.39	4.58	-46.97
COCCN(CCOC)S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164564	0	48	-1.0	-51.13	379.82	2.32	-48.81
COC1CN(S(=O)(=O)C2=CC(Cl)=CC=C2C)CCC1C(=O)[O-]	REAL300008164565	0	39	-1.0	-46.19	324.00	5.55	-40.64
COC1=C(C)C=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1C	REAL300008164566	0	46	-1.0	-50.10	377.27	5.58	-44.52
COC1CN(S(=O)(=O)C2=CC=C(OCCC(C)C)C=C2)CCC1C(=O)[O-]	REAL300008164567	0	52	-1.0	-51.22	418.75	6.38	-44.84
COC1CN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CCC1C(=O)[O-]	REAL300008164568	0	50	-1.0	-51.22	401.78	6.27	-44.95
COC1CN(S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)CCC1C(=O)[O-]	REAL300008164569	0	49	-1.0	-51.28	399.79	5.78	-45.50
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164570	0	46	-1.0	-51.37	379.69	5.08	-46.29
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1Cl	REAL300008164571	0	40	-1.0	-55.30	349.57	4.01	-51.29
COC1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CCC1C(=O)[O-]	REAL300008164572	0	40	-1.0	-55.29	359.42	4.29	-51.00
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1C	REAL300008164573	0	43	-1.0	-54.77	355.94	4.14	-50.63
COC1CN(S(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)CCC1C(=O)[O-]	REAL300008164574	0	49	-1.0	-54.26	395.73	5.69	-48.57
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(C)=C1	REAL300008164575	0	43	-1.0	-48.98	337.02	4.32	-44.66
COCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164576	0	47	-1.0	-53.17	391.82	3.55	-49.62
COC1CN(S(=O)(=O)CC2=CC=CC=C2F)CCC1C(=O)[O-]	REAL300008164577	0	39	-1.0	-53.42	335.92	4.85	-48.57
COC1CN(S(=O)(=O)C2=CC=C(Br)C=C2C)CCC1C(=O)[O-]	REAL300008164578	0	39	-1.0	-46.36	328.44	5.59	-40.77
COC1CN(S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)CCC1C(=O)[O-]	REAL300008164579	0	44	-1.0	-56.79	348.26	6.16	-50.63
COC1CN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)CCC1C(=O)[O-]	REAL300008164580	0	45	-1.0	-55.85	367.98	2.55	-53.30
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164581	0	44	-1.0	-57.79	383.44	0.24	-57.55
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164582	0	44	-1.0	-49.94	355.65	2.93	-47.01
COC1CN(S(=O)(=O)C2=C(C)N=C(C)S2)CCC1C(=O)[O-]	REAL300008164583	0	38	-1.0	-47.70	329.56	3.02	-44.68
COC1CN(S(=O)(=O)C2=CSC3=CC=CC=C23)CCC1C(=O)[O-]	REAL300008164584	0	39	-1.0	-50.41	334.84	5.80	-44.61
COC1CN(S(=O)(=O)CC2CCCC2)CCC1C(=O)[O-]	REAL300008164585	0	42	-1.0	-56.90	333.48	4.52	-52.38
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=CC=C1F	REAL300008164586	0	40	-1.0	-54.09	342.10	3.47	-50.62
COC1CN(S(=O)(=O)C2=CSC=C2)CCC1C(=O)[O-]	REAL300008164587	0	33	-1.0	-53.48	297.48	3.00	-50.48
COC1CN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CCC1C(=O)[O-]	REAL300008164588	0	46	-1.0	-54.85	378.45	8.10	-46.75
COC1CN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CCC1C(=O)[O-]	REAL300008164589	0	39	-1.0	-49.83	364.12	5.81	-44.02
COC1CN(S(=O)(=O)CC2CCCCC2)CCC1C(=O)[O-]	REAL300008164590	0	45	-1.0	-56.86	349.09	5.22	-51.64
COC1CN(S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)CCC1C(=O)[O-]	REAL300008164591	0	44	-1.0	-54.09	359.13	6.44	-47.65
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=CN1C	REAL300008164592	0	44	-1.0	-58.76	368.12	1.82	-56.94
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(C)=C1	REAL300008164593	0	46	-1.0	-49.50	353.10	4.68	-44.82
COC1CN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CCC1C(=O)[O-]	REAL300008164594	0	47	-1.0	-54.56	388.46	8.80	-45.76
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1C	REAL300008164595	0	46	-1.0	-48.99	358.41	5.64	-43.35
COC1CN(S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)CCC1C(=O)[O-]	REAL300008164596	0	44	-1.0	-54.19	348.74	5.81	-48.38
COC1CN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CCC1C(=O)[O-]	REAL300008164597	0	41	-1.0	-49.50	329.24	4.91	-44.59
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C([N+](=O)[O-])=N1	REAL300008164598	0	41	-1.0	-46.44	347.00	5.40	-41.04
COC1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CCC1C(=O)[O-]	REAL300008164599	0	43	-1.0	-52.59	377.76	4.75	-47.84
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164600	0	44	-1.0	-60.38	367.41	5.96	-54.42
COC1CN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CCC1C(=O)[O-]	REAL300008164601	0	46	-1.0	-57.54	392.36	5.67	-51.87
COC1CN(S(=O)(=O)C2=CN=C3NC=CC=C23)CCC1C(=O)[O-]	REAL300008164602	0	39	-1.0	-67.12	331.20	3.92	-63.20
COC1CN(S(=O)(=O)N(CCC(C)C)CCC(C)C)CCC1C(=O)[O-]	REAL300008164603	0	58	-1.0	-48.68	442.60	6.98	-41.70
COC1CN(S(=O)(=O)CC2=CC=CC(C)=C2)CCC1C(=O)[O-]	REAL300008164604	0	42	-1.0	-50.06	349.81	5.54	-44.52
COC1CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)CCC1C(=O)[O-]	REAL300008164605	0	44	-1.0	-58.24	380.41	0.77	-57.47
COC1CN(S(=O)(=O)CC2=CC=CC(F)=C2)CCC1C(=O)[O-]	REAL300008164606	0	39	-1.0	-50.29	334.81	4.94	-45.35
COC1CN(S(=O)(=O)CC2=CC=CC=C2C)CCC1C(=O)[O-]	REAL300008164607	0	42	-1.0	-51.22	346.44	5.37	-45.85
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C2=CC=CC=C12	REAL300008164608	0	49	-1.0	-50.60	390.20	7.31	-43.29
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164609	0	46	-1.0	-49.74	369.48	6.16	-43.58
COC1CN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CCC1C(=O)[O-]	REAL300008164610	0	41	-1.0	-64.27	352.58	4.86	-59.41
COC1CN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CCC1C(=O)[O-]	REAL300008164611	0	43	-1.0	-55.93	364.81	5.80	-50.13
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164612	0	50	-1.0	-53.17	413.67	4.52	-48.65
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164613	0	52	-1.0	-51.22	422.69	6.64	-44.58
COC1CN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CCC1C(=O)[O-]	REAL300008164614	0	46	-1.0	-47.97	349.45	7.43	-40.54
COC1CN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CCC1C(=O)[O-]	REAL300008164615	0	42	-1.0	-53.04	355.35	5.88	-47.16
COC1CN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CCC1C(=O)[O-]	REAL300008164616	0	40	-1.0	-50.03	363.22	5.52	-44.51
COC1CN(S(=O)(=O)C2=CC=C3COCC3=C2)CCC1C(=O)[O-]	REAL300008164617	0	41	-1.0	-53.75	340.23	3.98	-49.77
COC1CN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CCC1C(=O)[O-]	REAL300008164618	0	44	-1.0	-57.76	370.50	5.35	-52.41
COC1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCC1C(=O)[O-]	REAL300008164619	0	42	-1.0	-66.18	346.61	0.44	-65.74
COC1CN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CCC1C(=O)[O-]	REAL300008164620	0	41	-1.0	-56.91	355.11	4.24	-52.67
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(C)=C1	REAL300008164621	0	46	-1.0	-48.89	358.87	5.24	-43.65
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164622	0	44	-1.0	-59.49	380.88	0.86	-58.63
COC1CN(S(=O)(=O)C2=CC=CC=C2OC(F)F)CCC1C(=O)[O-]	REAL300008164623	0	40	-1.0	-51.40	335.95	4.83	-46.57
COC1CN(S(=O)(=O)C2=CC=C(SC)C=C2)CCC1C(=O)[O-]	REAL300008164624	0	40	-1.0	-51.34	347.04	5.08	-46.26
CCCCCCCS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164625	0	47	-1.0	-49.70	378.19	5.68	-44.02
COC1CN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CCC1C(=O)[O-]	REAL300008164626	0	42	-1.0	-50.29	367.46	5.89	-44.40
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164627	0	47	-1.0	-55.64	378.75	6.01	-49.63
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)N=C1C	REAL300008164628	0	42	-1.0	-54.56	349.53	4.51	-50.05
COC1CN(S(=O)(=O)C2=CC=CC3=C2OCCO3)CCC1C(=O)[O-]	REAL300008164629	0	42	-1.0	-52.17	339.70	4.24	-47.93
COC1CN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)CCC1C(=O)[O-]	REAL300008164630	0	41	-1.0	-48.89	329.24	5.29	-43.60
COC1CN(S(=O)(=O)CC2CCCO2)CCC1C(=O)[O-]	REAL300008164631	0	40	-1.0	-49.90	323.80	2.28	-47.62
COC1CN(S(=O)(=O)CC2CCCCO2)CCC1C(=O)[O-]	REAL300008164632	0	43	-1.0	-48.61	341.30	3.94	-44.67
COC1CN(S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)CCC1C(=O)[O-]	REAL300008164633	0	42	-1.0	-54.53	360.81	5.62	-48.91
COC1CN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCC1C(=O)[O-]	REAL300008164634	0	45	-1.0	-55.59	369.08	6.28	-49.31
COC1CN(S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)CCC1C(=O)[O-]	REAL300008164635	0	44	-1.0	-56.39	372.70	3.83	-52.56
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164636	0	43	-1.0	-52.64	375.50	4.69	-47.95
COCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164637	0	43	-1.0	-54.32	359.33	4.41	-49.91
COC1CN(S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)CCC1C(=O)[O-]	REAL300008164638	0	47	-1.0	-52.15	378.23	6.03	-46.12
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=N1	REAL300008164639	0	39	-1.0	-56.79	332.46	2.67	-54.12
COC1CN(S(=O)(=O)CC2=CC=CC=C2Cl)CCC1C(=O)[O-]	REAL300008164640	0	39	-1.0	-52.11	344.13	5.26	-46.85
COC1CN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCC1C(=O)[O-]	REAL300008164641	0	43	-1.0	-50.74	376.61	4.61	-46.13
COC1CN(S(=O)(=O)N(C)C(C)C2CC2)CCC1C(=O)[O-]	REAL300008164642	0	44	-1.0	-48.73	347.51	4.01	-44.72
COC1CN(S(=O)(=O)C2=CC=NN2C)CCC1C(=O)[O-]	REAL300008164643	0	36	-1.0	-50.51	302.95	1.80	-48.71
COC1CN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCC1C(=O)[O-]	REAL300008164644	0	39	-1.0	-57.35	354.98	5.76	-51.59
COC1CN(S(=O)(=O)CC2CCOC2)CCC1C(=O)[O-]	REAL300008164645	0	40	-1.0	-51.02	323.25	2.01	-49.01
COC1CN(S(=O)(=O)C2=CC=C3OC(C)CC3=C2)CCC1C(=O)[O-]	REAL300008164646	0	44	-1.0	-53.57	361.31	5.30	-48.27
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164647	0	48	-1.0	-48.38	353.64	7.26	-41.12
COC1CN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CCC1C(=O)[O-]	REAL300008164648	0	42	-1.0	-52.87	370.35	5.45	-47.42
COCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164649	0	41	-1.0	-54.85	333.44	1.48	-53.37
COC1CN(S(=O)(=O)N(C)CC2CC2)CCC1C(=O)[O-]	REAL300008164650	0	41	-1.0	-47.72	335.17	4.32	-43.40
COC1CN(S(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)CCC1C(=O)[O-]	REAL300008164651	0	45	-1.0	-56.32	383.24	3.13	-53.19
COC1CN(S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)CCC1C(=O)[O-]	REAL300008164652	0	39	-1.0	-44.78	337.51	3.42	-41.36
COC1CN(S(=O)(=O)C2=C(C)OC(C)=C2)CCC1C(=O)[O-]	REAL300008164653	0	39	-1.0	-53.25	325.35	4.05	-49.20
COC1CN(S(=O)(=O)C2=CC(C)=CS2)CCC1C(=O)[O-]	REAL300008164654	0	36	-1.0	-48.56	317.33	3.77	-44.79
COC1CN(S(=O)(=O)C2=CC3=CC=CC=C3O2)CCC1C(=O)[O-]	REAL300008164655	0	39	-1.0	-53.18	333.56	5.11	-48.07
COC1CN(S(=O)(=O)C2=CC=C3OCOC3=C2)CCC1C(=O)[O-]	REAL300008164656	0	39	-1.0	-54.17	330.30	3.35	-50.82
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=N1	REAL300008164657	0	39	-1.0	-52.93	331.44	1.38	-51.55
COC1CN(S(=O)(=O)C2=CN=C3CCCN23)CCC1C(=O)[O-]	REAL300008164658	0	40	-1.0	-54.33	331.90	4.21	-50.12
COC1CN(S(=O)(=O)C2=C(C)C=CS2)CCC1C(=O)[O-]	REAL300008164659	0	36	-1.0	-48.80	302.07	3.61	-45.19
COC1CN(S(=O)(=O)C2=CC=C3OCCCC3=C2)CCC1C(=O)[O-]	REAL300008164660	0	44	-1.0	-53.86	357.96	5.32	-48.54
COC1CN(S(=O)(=O)C2CC3=CC=CC=C3C2)CCC1C(=O)[O-]	REAL300008164661	0	43	-1.0	-49.61	345.93	6.38	-43.23
COC1CN(S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)CCC1C(=O)[O-]	REAL300008164662	0	46	-1.0	-55.56	386.30	6.49	-49.07
COC1CN(S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)CCC1C(=O)[O-]	REAL300008164663	0	44	-1.0	-54.90	377.82	5.27	-49.63
COC1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)CCC1C(=O)[O-]	REAL300008164664	0	41	-1.0	-53.91	350.60	5.28	-48.63
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=N1	REAL300008164665	0	47	-1.0	-58.74	392.06	5.45	-53.29
COC1CN(S(=O)(=O)C2=CN(C)N=C2C)CCC1C(=O)[O-]	REAL300008164666	0	39	-1.0	-52.60	319.70	2.68	-49.92
COC1CN(S(=O)(=O)C2=CC=C(C)O2)CCC1C(=O)[O-]	REAL300008164667	0	36	-1.0	-50.61	308.52	3.58	-47.03
COC1CN(S(=O)(=O)C2=C(C)C=NN2C)CCC1C(=O)[O-]	REAL300008164668	0	39	-1.0	-49.41	311.37	2.85	-46.56
COC1CN(S(=O)(=O)C2=CN=C3C=CSC3=C2)CCC1C(=O)[O-]	REAL300008164669	0	38	-1.0	-53.92	336.24	4.17	-49.75
COC1CN(S(=O)(=O)C2=CC=C(N(C)C)C=C2)CCC1C(=O)[O-]	REAL300008164670	0	44	-1.0	-52.45	359.32	4.49	-47.96
COC1CN(S(=O)(=O)C2=CC3=CC=C(C)C=C3C=C2)CCC1C(=O)[O-]	REAL300008164671	0	45	-1.0	-55.53	371.34	7.10	-48.43
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)SC=C1	REAL300008164672	0	37	-1.0	-50.76	319.79	3.70	-47.06
COC1CN(S(=O)(=O)C2=CC=CC(N(C)C)=C2)CCC1C(=O)[O-]	REAL300008164673	0	44	-1.0	-54.09	355.82	5.09	-49.00
COC1CN(S(=O)(=O)C2=CC=CC3=C2OCC3)CCC1C(=O)[O-]	REAL300008164674	0	41	-1.0	-50.80	336.21	4.57	-46.23
COC1CN(S(=O)(=O)CC2=NOC3=CC=CC=C32)CCC1C(=O)[O-]	REAL300008164675	0	41	-1.0	-56.02	354.00	4.13	-51.89
COC1CN(S(=O)(=O)C2=CC=C3CCOC3=C2)CCC1C(=O)[O-]	REAL300008164676	0	41	-1.0	-55.18	340.14	4.53	-50.65
COC1CN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)CCC1C(=O)[O-]	REAL300008164677	0	42	-1.0	-51.36	368.84	6.11	-45.25
COC1CN(S(=O)(=O)C2=CC=C3CCCN(C)C3=C2)CCC1C(=O)[O-]	REAL300008164678	0	48	-1.0	-55.01	380.84	4.66	-50.35
COC1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCC1C(=O)[O-]	REAL300008164679	0	38	-1.0	-52.90	339.82	4.00	-48.90
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164680	0	44	-1.0	-55.60	360.78	4.57	-51.03
COC1CN(S(=O)(=O)C2=CC(C)=CC([N+](=O)[O-])=C2C)CCC1C(=O)[O-]	REAL300008164681	0	44	-1.0	-52.09	352.35	6.21	-45.88
COC1CN(S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])CCC1C(=O)[O-]	REAL300008164682	0	44	-1.0	-55.33	354.20	7.02	-48.31
COC1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)CCC1C(=O)[O-]	REAL300008164683	0	44	-1.0	-49.64	352.69	6.14	-43.50
COC1=CC=C(CCS(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164684	0	46	-1.0	-52.82	381.62	4.89	-47.93
COC1=CN=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164685	0	39	-1.0	-54.72	330.95	1.58	-53.14
COC1CN(S(=O)(=O)C2=CC=C(C(C)(C)C)S2)CCC1C(=O)[O-]	REAL300008164686	0	45	-1.0	-48.54	376.80	6.36	-42.18
COC1CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)CCC1C(=O)[O-]	REAL300008164687	0	43	-1.0	-49.74	353.83	6.23	-43.51
COC1=CC(OC)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164688	0	44	-1.0	-54.93	363.32	3.30	-51.63
COC1CN(S(=O)(=O)CCC2CCCCC2)CCC1C(=O)[O-]	REAL300008164689	0	48	-1.0	-56.79	372.42	5.77	-51.02
COC1CN(S(=O)(=O)CCC2=CC=C(C)C=C2)CCC1C(=O)[O-]	REAL300008164690	0	45	-1.0	-51.37	373.52	6.27	-45.10
COC1CN(S(=O)(=O)C2=CC3=C(C=C2C)OCO3)CCC1C(=O)[O-]	REAL300008164691	0	42	-1.0	-49.02	333.20	3.64	-45.38
COC1CN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CCC1C(=O)[O-]	REAL300008164692	0	39	-1.0	-52.55	329.75	5.01	-47.54
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=CC=C1Cl	REAL300008164693	0	40	-1.0	-53.50	351.90	3.96	-49.54
COC1CN(S(=O)(=O)CCC2CCCC2)CCC1C(=O)[O-]	REAL300008164694	0	45	-1.0	-56.88	355.93	5.18	-51.70
COC1CN(S(=O)(=O)C2=CC=C3C(=C2)N=CN3C)CCC1C(=O)[O-]	REAL300008164695	0	42	-1.0	-60.70	354.65	5.44	-55.26
COC1CN(S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)CCC1C(=O)[O-]	REAL300008164696	0	44	-1.0	-60.36	353.94	6.25	-54.11
COC1CN(S(=O)(=O)C2=CC=C3N=C(C)OC3=C2)CCC1C(=O)[O-]	REAL300008164697	0	41	-1.0	-56.58	350.03	1.76	-54.82
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1CC	REAL300008164698	0	48	-1.0	-54.22	383.43	6.67	-47.55
COC1CN(S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)CCC1C(=O)[O-]	REAL300008164699	0	44	-1.0	-50.72	355.21	6.06	-44.66
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164700	0	46	-1.0	-55.54	363.92	6.23	-49.31
COC1CN(S(=O)(=O)C2=CC(C)=C(C)S2)CCC1C(=O)[O-]	REAL300008164701	0	39	-1.0	-48.77	335.92	5.06	-43.71
COC1CN(S(=O)(=O)C2=CC(Cl)=CN=C2N)CCC1C(=O)[O-]	REAL300008164702	0	37	-1.0	-48.53	321.41	2.61	-45.92
COC1CN(S(=O)(=O)C2=CN=C(C)S2)CCC1C(=O)[O-]	REAL300008164703	0	35	-1.0	-49.98	313.81	2.51	-47.47
CCC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)S1	REAL300008164704	0	38	-1.0	-49.57	335.30	3.27	-46.30
COC1CN(S(=O)(=O)C2=C(C)ON=C2N)CCC1C(=O)[O-]	REAL300008164705	0	37	-1.0	-52.80	313.28	1.46	-51.34
COC1CN(S(=O)(=O)C2=CC=C(N(C)C)N=C2)CCC1C(=O)[O-]	REAL300008164706	0	43	-1.0	-54.86	354.31	4.51	-50.35
COC1CN(S(=O)(=O)C2=C(C)C=C(C)S2)CCC1C(=O)[O-]	REAL300008164707	0	39	-1.0	-49.68	333.97	5.13	-44.55
COC1CN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCC1C(=O)[O-]	REAL300008164708	0	42	-1.0	-49.17	337.05	6.09	-43.08
COC1CN(S(=O)(=O)C2=CC=CC3=C2OCO3)CCC1C(=O)[O-]	REAL300008164709	0	39	-1.0	-52.88	327.74	3.36	-49.52
COC1CN(S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)CCC1C(=O)[O-]	REAL300008164710	0	42	-1.0	-51.69	351.36	6.03	-45.66
COC1CN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCC1C(=O)[O-]	REAL300008164711	0	43	-1.0	-58.94	360.06	3.91	-55.03
COC1CN(S(=O)(=O)CCCOCC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300008164712	0	49	-1.0	-52.39	407.63	5.65	-46.74
COC1CN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)CCC1C(=O)[O-]	REAL300008164713	0	40	-1.0	-56.99	333.43	3.90	-53.09
COC1CN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CCC1C(=O)[O-]	REAL300008164714	0	38	-1.0	-52.98	331.16	4.42	-48.56
COC1CN(S(=O)(=O)C2=CC=C(C)N=C2)CCC1C(=O)[O-]	REAL300008164715	0	38	-1.0	-53.90	320.93	3.51	-50.39
COC1CN(S(=O)(=O)CC2=CSC(C)=N2)CCC1C(=O)[O-]	REAL300008164716	0	38	-1.0	-53.51	337.22	2.48	-51.03
COC(CS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1)C1CC1	REAL300008164717	0	43	-1.0	-50.61	348.51	3.79	-46.82
COC1CN(S(=O)(=O)CC2=CC=C(Cl)C=C2)CCC1C(=O)[O-]	REAL300008164718	0	39	-1.0	-58.14	346.87	5.34	-52.80
COC1CN(S(=O)(=O)C2=CC=C(Cl)C(C)=C2)CCC1C(=O)[O-]	REAL300008164719	0	39	-1.0	-52.94	339.52	5.25	-47.69
COC1CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCC1C(=O)[O-]	REAL300008164720	0	42	-1.0	-59.86	352.35	5.67	-54.19
COC1CN(S(=O)(=O)C2=CC=C(C3=NC(C)=CS3)C=C2)CCC1C(=O)[O-]	REAL300008164721	0	45	-1.0	-53.48	393.08	5.54	-47.94
COC1CN(S(=O)(=O)C2=CC=CC3=C2OCCC3)CCC1C(=O)[O-]	REAL300008164722	0	44	-1.0	-50.18	347.05	5.88	-44.30
COC1CN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCC1C(=O)[O-]	REAL300008164723	0	43	-1.0	-61.10	369.43	2.55	-58.55
COC1CN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)CCC1C(=O)[O-]	REAL300008164724	0	45	-1.0	-54.54	361.20	5.05	-49.49
COC1CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CCC1C(=O)[O-]	REAL300008164725	0	39	-1.0	-50.76	350.42	5.33	-45.43
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164726	0	49	-1.0	-52.82	394.36	6.36	-46.46
COC(CS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1)C1CCCC1	REAL300008164727	0	49	-1.0	-48.86	377.60	5.05	-43.81
COC(CS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1)C1CCCCC1	REAL300008164728	0	52	-1.0	-49.00	400.22	5.89	-43.11
COC1CN(S(=O)(=O)C2COC(C)(C)C2)CCC1C(=O)[O-]	REAL300008164729	0	43	-1.0	-56.12	346.16	2.71	-53.41
CCOC(CS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1)C1CC1	REAL300008164730	0	46	-1.0	-50.67	371.37	4.55	-46.12
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1C(C)C	REAL300008164731	0	55	-1.0	-53.81	437.84	7.15	-46.66
CCC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=CN1CC1CC1	REAL300008164732	0	49	-1.0	-55.99	402.63	6.73	-49.26
COC1CN(S(=O)(=O)C2=CN=C(C3CC3)S2)CCC1C(=O)[O-]	REAL300008164733	0	39	-1.0	-48.97	343.54	4.22	-44.75
COC1CN(S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)CCC1C(=O)[O-]	REAL300008164734	0	44	-1.0	-54.10	356.00	5.95	-48.15
COC1CN(S(=O)(=O)C2=C(C3CC3)C=NN2C)CCC1C(=O)[O-]	REAL300008164735	0	43	-1.0	-50.14	347.42	4.56	-45.58
COC1CN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300008164736	0	49	-1.0	-49.73	401.63	6.90	-42.83
COC1CN(S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)CCC1C(=O)[O-]	REAL300008164737	0	39	-1.0	-50.45	345.66	3.33	-47.12
COC1CN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCC1C(=O)[O-]	REAL300008164738	0	46	-1.0	-52.85	361.86	7.77	-45.08
CCC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C(C)C=C1OC	REAL300008164739	0	49	-1.0	-48.01	378.71	5.80	-42.21
COC1CN(S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])CCC1C(=O)[O-]	REAL300008164740	0	38	-1.0	-55.34	327.69	3.59	-51.75
COC1CN(S(=O)(=O)C2=C(C)C=CC3=CC=CC=C32)CCC1C(=O)[O-]	REAL300008164741	0	45	-1.0	-53.48	354.59	7.01	-46.47
COC1CN(S(=O)(=O)C2=CC=C(OC(C)C)N=C2)CCC1C(=O)[O-]	REAL300008164742	0	45	-1.0	-52.70	373.42	3.24	-49.46
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164743	0	40	-1.0	-53.01	334.88	4.83	-48.18
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1C(C)C	REAL300008164744	0	52	-1.0	-54.10	416.34	6.35	-47.75
COC1CN(S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)CCC1C(=O)[O-]	REAL300008164745	0	48	-1.0	-53.69	382.37	6.42	-47.27
COC1CN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCC1C(=O)[O-]	REAL300008164746	0	55	-1.0	-50.94	432.46	8.63	-42.31
COC1CN(S(=O)(=O)C2=C3CCCCC3=NN2C)CCC1C(=O)[O-]	REAL300008164747	0	46	-1.0	-50.78	352.69	3.84	-46.94
COC1CN(S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)CCC1C(=O)[O-]	REAL300008164748	0	48	-1.0	-46.22	367.58	5.01	-41.21
COC1CN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)CCC1C(=O)[O-]	REAL300008164749	0	46	-1.0	-54.26	371.72	5.04	-49.22
COC1CN(S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)CCC1C(=O)[O-]	REAL300008164750	0	39	-1.0	-48.94	322.18	3.07	-45.87
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164751	0	43	-1.0	-53.00	365.18	4.24	-48.76
C=CCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164752	0	46	-1.0	-50.56	384.03	6.85	-43.71
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164753	0	42	-1.0	-46.28	340.07	3.77	-42.51
COC1CN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCC1C(=O)[O-]	REAL300008164754	0	40	-1.0	-50.33	355.45	5.78	-44.55
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1CC	REAL300008164755	0	52	-1.0	-54.14	418.61	6.67	-47.47
COC1CN(S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)CCC1C(=O)[O-]	REAL300008164756	0	42	-1.0	-47.35	337.18	5.89	-41.46
COC1CN(S(=O)(=O)CCCC2CC2)CCC1C(=O)[O-]	REAL300008164757	0	42	-1.0	-57.21	344.84	4.92	-52.29
COC1CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)CCC1C(=O)[O-]	REAL300008164758	0	40	-1.0	-51.18	352.96	5.69	-45.49
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164759	0	45	-1.0	-47.34	347.04	7.26	-40.08
COC1=NC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164760	0	39	-1.0	-51.77	324.16	1.96	-49.81
COC1CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)CCC1C(=O)[O-]	REAL300008164761	0	41	-1.0	-51.22	335.12	5.22	-46.00
COC1CN(S(=O)(=O)C2=CN=C(C)N2C)CCC1C(=O)[O-]	REAL300008164762	0	39	-1.0	-52.99	321.88	3.58	-49.41
COC1CN(S(=O)(=O)C2=CC=CC=N2)CCC1C(=O)[O-]	REAL300008164763	0	35	-1.0	-52.04	299.63	2.83	-49.21
COC1CN(S(=O)(=O)C2=C(C)SC=C2C)CCC1C(=O)[O-]	REAL300008164764	0	39	-1.0	-49.18	324.43	4.60	-44.58
COC1CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)CCC1C(=O)[O-]	REAL300008164765	0	43	-1.0	-54.71	354.22	4.37	-50.34
COC1CN(S(=O)(=O)C2=CC=NN2C2CCC2)CCC1C(=O)[O-]	REAL300008164766	0	43	-1.0	-51.75	348.53	4.47	-47.28
COC1CN(S(=O)(=O)C2=CC=NN2CC2CCC2)CCC1C(=O)[O-]	REAL300008164767	0	46	-1.0	-49.13	363.72	5.39	-43.74
COC1CN(S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)CCC1C(=O)[O-]	REAL300008164768	0	47	-1.0	-50.86	378.44	2.73	-48.13
COC1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCC1C(=O)[O-]	REAL300008164769	0	42	-1.0	-51.73	372.12	5.59	-46.14
COC1CN(S(=O)(=O)C2=CN=C3CCCCN32)CCC1C(=O)[O-]	REAL300008164770	0	43	-1.0	-52.88	345.44	4.89	-47.99
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1C	REAL300008164771	0	52	-1.0	-49.20	396.84	6.86	-42.34
COC1CN(S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)CCC1C(=O)[O-]	REAL300008164772	0	46	-1.0	-47.90	368.49	6.05	-41.85
COC1CN(S(=O)(=O)C2=CC=CC3=C2OC(C)C3)CCC1C(=O)[O-]	REAL300008164773	0	44	-1.0	-50.61	348.80	5.04	-45.57
COC1CN(S(=O)(=O)C2=CN=C(C(C)(C)C)S2)CCC1C(=O)[O-]	REAL300008164774	0	44	-1.0	-49.80	373.95	4.35	-45.45
COC1CN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCC1C(=O)[O-]	REAL300008164775	0	42	-1.0	-57.08	356.36	4.72	-52.36
COC1CN(S(=O)(=O)C2=C3N=CC=CN3N=C2C)CCC1C(=O)[O-]	REAL300008164776	0	41	-1.0	-62.18	344.94	4.29	-57.89
CCN1N=NC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164777	0	38	-1.0	-49.92	315.07	1.89	-48.03
COC1CN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CCC1C(=O)[O-]	REAL300008164778	0	45	-1.0	-49.13	351.13	4.06	-45.07
COC1CN(S(=O)(=O)C2=CC3=NON=C3C=C2)CCC1C(=O)[O-]	REAL300008164779	0	37	-1.0	-53.08	321.26	2.89	-50.19
COC1CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)CCC1C(=O)[O-]	REAL300008164780	0	39	-1.0	-50.89	342.64	6.15	-44.74
COC1CN(S(=O)(=O)C2=CC(C3CC3)=NN2C)CCC1C(=O)[O-]	REAL300008164781	0	43	-1.0	-49.33	354.51	4.22	-45.11
COC1CN(S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)CCC1C(=O)[O-]	REAL300008164782	0	45	-1.0	-49.65	351.92	6.04	-43.61
COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1OC	REAL300008164783	0	44	-1.0	-53.93	357.88	4.55	-49.38
COC1CN(S(=O)(=O)C2=COC3=CC=CC=C23)CCC1C(=O)[O-]	REAL300008164784	0	39	-1.0	-51.44	329.33	4.85	-46.59
COC1CN(S(=O)(=O)C2=CN(C)N=C2C2CCCC2)CCC1C(=O)[O-]	REAL300008164785	0	49	-1.0	-52.49	380.88	5.19	-47.30
COC1CN(S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)CCC1C(=O)[O-]	REAL300008164786	0	48	-1.0	-52.43	373.50	5.05	-47.38
CCCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(C)=N1	REAL300008164787	0	48	-1.0	-51.91	381.58	5.13	-46.78
COC1CN(S(=O)(=O)C2=CN(C)N=C2C2CC2)CCC1C(=O)[O-]	REAL300008164788	0	43	-1.0	-52.92	345.86	4.17	-48.75
COC1CN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)CCC1C(=O)[O-]	REAL300008164789	0	40	-1.0	-53.64	346.09	3.64	-50.00
COC1CN(S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)CCC1C(=O)[O-]	REAL300008164790	0	41	-1.0	-60.38	345.71	3.21	-57.17
COC1CN(S(=O)(=O)N2CCCC(C)(C)C2)CCC1C(=O)[O-]	REAL300008164791	0	47	-1.0	-53.98	360.84	4.46	-49.52
COC1CN(S(=O)(=O)C2=CN(C)N=C2C2CCC2)CCC1C(=O)[O-]	REAL300008164792	0	46	-1.0	-46.55	367.07	5.08	-41.47
COC1CN(S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)CCC1C(=O)[O-]	REAL300008164793	0	54	-1.0	-48.74	404.96	8.63	-40.11
COC1CN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)CCC1C(=O)[O-]	REAL300008164794	0	46	-1.0	-55.41	378.24	5.33	-50.08
COC1CN(S(=O)(=O)C2=C(C3CC3)C=CS2)CCC1C(=O)[O-]	REAL300008164795	0	40	-1.0	-49.88	339.78	5.74	-44.14
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C2=NC=CC=C2C=C1	REAL300008164796	0	45	-1.0	-64.43	369.68	5.88	-58.55
CCCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164797	0	45	-1.0	-53.14	368.64	6.90	-46.24
COC1CN(S(=O)(=O)C2=C3CCCC3=NN2C)CCC1C(=O)[O-]	REAL300008164798	0	43	-1.0	-51.38	340.38	3.93	-47.45
COC1CN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)CCC1C(=O)[O-]	REAL300008164799	0	42	-1.0	-53.70	331.33	3.65	-50.05
COC1CN(S(=O)(=O)C2=C(C)C=CC=C2C)CCC1C(=O)[O-]	REAL300008164800	0	42	-1.0	-49.24	324.38	5.97	-43.27
COC1CN(S(=O)(=O)C2=CC=NN2C(C)(C)C)CCC1C(=O)[O-]	REAL300008164801	0	45	-1.0	-52.93	349.79	3.90	-49.03
COC1CN(S(=O)(=O)C2=CN(C(C)(C)C)N=C2)CCC1C(=O)[O-]	REAL300008164802	0	45	-1.0	-54.87	368.84	4.41	-50.46
COC1CN(S(=O)(=O)C2=CNN=C2C2CCC2)CCC1C(=O)[O-]	REAL300008164803	0	43	-1.0	-45.98	344.19	3.77	-42.21
COC1CN(S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)CCC1C(=O)[O-]	REAL300008164804	0	41	-1.0	-53.58	355.11	3.97	-49.61
COC1CN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CCC1C(=O)[O-]	REAL300008164805	0	39	-1.0	-50.87	349.72	5.76	-45.11
COC1CN(S(=O)(=O)C2=CC(C)=NN2C)CCC1C(=O)[O-]	REAL300008164806	0	39	-1.0	-51.27	326.43	2.95	-48.32
COC1CN(S(=O)(=O)C2=CC=CC(C)=C2C)CCC1C(=O)[O-]	REAL300008164807	0	42	-1.0	-48.17	324.58	4.94	-43.23
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164808	0	47	-1.0	-60.10	388.91	6.73	-53.37
COC1CN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)CCC1C(=O)[O-]	REAL300008164809	0	47	-1.0	-49.80	373.33	7.23	-42.57
COC1CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CCC1C(=O)[O-]	REAL300008164810	0	42	-1.0	-49.56	367.06	5.16	-44.40
COC1CN(S(=O)(=O)N2CC3=CC=CC=C3C2)CCC1C(=O)[O-]	REAL300008164811	0	42	-1.0	-53.42	345.72	5.30	-48.12
COC1CN(S(=O)(=O)N(C)C2CCC2)CCC1C(=O)[O-]	REAL300008164812	0	41	-1.0	-47.80	319.23	3.20	-44.60
COC1CN(S(=O)(=O)CC2=NOC3=C2COCC3)CCC1C(=O)[O-]	REAL300008164813	0	43	-1.0	-53.76	357.87	3.04	-50.72
COC1CN(C(=O)N2CCC(F)(F)CC2)CCC1C(=O)[O-]	REAL300008164814	0	40	-1.0	-51.20	308.11	6.53	-44.67
COC1CN(S(=O)(=O)C2=CSC=C2C(F)(F)F)CCC1C(=O)[O-]	REAL300008164815	0	36	-1.0	-45.41	316.34	4.93	-40.48
COC1CN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)CCC1C(=O)[O-]	REAL300008164816	0	43	-1.0	-54.73	353.26	6.26	-48.47
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=CS1	REAL300008164817	0	37	-1.0	-48.65	322.62	3.23	-45.42
COC1CN(S(=O)(=O)C2=CC=NN2C2CCCC2)CCC1C(=O)[O-]	REAL300008164818	0	46	-1.0	-47.29	364.49	5.18	-42.11
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164819	0	45	-1.0	-49.67	360.85	4.51	-45.16
COC1CN(S(=O)(=O)N(C)C(C)(C)C)CCC1C(=O)[O-]	REAL300008164820	0	43	-1.0	-48.73	325.63	2.96	-45.77
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)O1	REAL300008164821	0	39	-1.0	-50.34	330.01	4.36	-45.98
COC1CN(S(=O)(=O)N(C)C2CCCCCC2)CCC1C(=O)[O-]	REAL300008164822	0	50	-1.0	-53.89	373.11	5.11	-48.78
COC1CN(S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)CCC1C(=O)[O-]	REAL300008164823	0	50	-1.0	-46.65	393.78	3.82	-42.83
COC1CN(S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)CCC1C(=O)[O-]	REAL300008164824	0	42	-1.0	-53.90	357.46	6.22	-47.68
COC1CN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)CCC1C(=O)[O-]	REAL300008164825	0	40	-1.0	-54.80	343.51	4.27	-50.53
COC1CN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300008164826	0	51	-1.0	-53.95	399.01	6.75	-47.20
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)S1	REAL300008164827	0	37	-1.0	-49.10	327.54	2.56	-46.54
COC1CN(S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)CCC1C(=O)[O-]	REAL300008164828	0	47	-1.0	-60.84	368.67	6.67	-54.17
COC1CN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CCC1C(=O)[O-]	REAL300008164829	0	44	-1.0	-52.77	355.98	4.58	-48.19
COC1CN(S(=O)(=O)C2=CN(CCF)N=C2)CCC1C(=O)[O-]	REAL300008164830	0	39	-1.0	-55.43	337.01	3.40	-52.03
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164831	0	46	-1.0	-54.24	381.18	5.37	-48.87
COC1CN(S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)CCC1C(=O)[O-]	REAL300008164832	0	46	-1.0	-53.57	383.94	5.94	-47.63
COC1CN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)CCC1C(=O)[O-]	REAL300008164833	0	49	-1.0	-54.01	390.64	5.63	-48.38
COC1CN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CCC1C(=O)[O-]	REAL300008164834	0	47	-1.0	-52.96	395.50	6.91	-46.05
COC1CN(S(=O)(=O)C2=CC=CC=C2CF)CCC1C(=O)[O-]	REAL300008164835	0	39	-1.0	-48.29	314.95	5.75	-42.54
COC1CN(S(=O)(=O)C2=CN=CC(C)=C2)CCC1C(=O)[O-]	REAL300008164836	0	38	-1.0	-54.57	322.83	2.94	-51.63
COC1CN(S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)CCC1C(=O)[O-]	REAL300008164837	0	45	-1.0	-52.12	357.73	7.54	-44.58
COC1CN(S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)CCC1C(=O)[O-]	REAL300008164838	0	46	-1.0	-48.79	373.41	6.12	-42.67
COC1CN(S(=O)(=O)N2CC3CC2C3)CCC1C(=O)[O-]	REAL300008164839	0	39	-1.0	-54.49	315.00	3.02	-51.47
COC1CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CCC1C(=O)[O-]	REAL300008164840	0	40	-1.0	-54.99	344.70	5.35	-49.64
CCOCCCS(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164841	0	42	-1.0	-50.75	347.73	2.59	-48.16
COC1CN(S(=O)(=O)CCC2NC(=O)NC2=O)CCC1C(=O)[O-]	REAL300008164842	0	41	-1.0	-54.05	347.84	-1.90	-55.95
COC1CN(S(=O)(=O)C2=CN=C3C=CC=CN23)CCC1C(=O)[O-]	REAL300008164843	0	39	-1.0	-55.91	325.67	4.96	-50.95
COC1CN(S(=O)(=O)C2CCC(F)(F)CC2)CCC1C(=O)[O-]	REAL300008164844	0	42	-1.0	-58.79	339.78	4.52	-54.27
COC1CN(S(=O)(=O)C2=CC=C3SC=NC3=C2)CCC1C(=O)[O-]	REAL300008164845	0	38	-1.0	-56.40	337.32	3.49	-52.91
COC1CN(S(=O)(=O)CCOC2CCOC2)CCC1C(=O)[O-]	REAL300008164846	0	44	-1.0	-51.74	361.63	1.26	-50.48
COC1CN(S(=O)(=O)CC2COCCO2)CCC1C(=O)[O-]	REAL300008164847	0	41	-1.0	-49.59	332.17	1.47	-48.12
COC1CN(S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)CCC1C(=O)[O-]	REAL300008164848	0	45	-1.0	-52.46	369.54	3.62	-48.84
COC1CN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CCC1C(=O)[O-]	REAL300008164849	0	53	-1.0	-57.24	383.39	6.99	-50.25
COC1CN(S(=O)(=O)CCN2C=NN=N2)CCC1C(=O)[O-]	REAL300008164850	0	37	-1.0	-60.85	321.63	1.97	-58.88
COC1CN(S(=O)(=O)CC2CC(C)(C)CO2)CCC1C(=O)[O-]	REAL300008164851	0	46	-1.0	-49.19	364.23	3.94	-45.25
COC1CN(S(=O)(=O)CC2CS(=O)(=O)C2)CCC1C(=O)[O-]	REAL300008164852	0	39	-1.0	-66.45	335.17	-0.16	-66.61
COC1CN(S(=O)(=O)CC(C)(C)C(C)(F)F)CCC1C(=O)[O-]	REAL300008164853	0	44	-1.0	-52.04	345.85	4.55	-47.49
COC1CN(S(=O)(=O)CCCCS(C)(=O)=O)CCC1C(=O)[O-]	REAL300008164854	0	44	-1.0	-62.50	377.33	0.90	-61.60
COC1CN(S(=O)(=O)CC2CCC(C)(C)CO2)CCC1C(=O)[O-]	REAL300008164855	0	49	-1.0	-48.59	378.06	4.47	-44.12
COC1CN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CCC1C(=O)[O-]	REAL300008164856	0	46	-1.0	-47.16	374.28	7.00	-40.16
COC1CN(S(=O)(=O)CC2=CC=CC3=NSN=C32)CCC1C(=O)[O-]	REAL300008164857	0	40	-1.0	-56.07	354.83	3.14	-52.93
COC1CN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CCC1C(=O)[O-]	REAL300008164858	0	46	-1.0	-49.83	385.73	7.71	-42.12
COC1CN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CCC1C(=O)[O-]	REAL300008164859	0	45	-1.0	-59.78	356.27	2.15	-57.63
COCCC1(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)CC1	REAL300008164860	0	43	-1.0	-48.53	333.51	2.82	-45.71
CCN1N=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=N1	REAL300008164861	0	38	-1.0	-51.96	324.62	1.63	-50.33
COC1CN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CCC1C(=O)[O-]	REAL300008164862	0	49	-1.0	-46.80	370.98	6.71	-40.09
COC1CN(S(=O)(=O)C2=CC=C(C3CC3)S2)CCC1C(=O)[O-]	REAL300008164863	0	40	-1.0	-49.34	349.09	6.01	-43.33
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1	REAL300008164864	0	47	-1.0	-51.78	384.15	5.13	-46.65
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164865	0	41	-1.0	-59.65	332.39	1.07	-58.58
COC1CN(S(=O)(=O)C2=CC(C)=CO2)CCC1C(=O)[O-]	REAL300008164866	0	36	-1.0	-50.12	308.38	3.38	-46.74
COC1CN(S(=O)(=O)C2=CC=C(C)O2)CCC1C(=O)[O-]	REAL300008164867	0	36	-1.0	-50.61	308.52	3.58	-47.03
CCC1=NNC=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164868	0	39	-1.0	-45.89	316.97	1.91	-43.98
COC1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1OC	REAL300008164869	0	41	-1.0	-51.47	356.68	3.35	-48.12
COC1CN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCC1C(=O)[O-]	REAL300008164870	0	48	-1.0	-48.85	367.26	4.51	-44.34
COC1CN(S(=O)(=O)N(C)CCC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300008164871	0	47	-1.0	-55.42	385.38	5.92	-49.50
COC1CN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CCC1C(=O)[O-]	REAL300008164872	0	40	-1.0	-52.53	348.68	5.58	-46.95
COC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(F)=C1	REAL300008164873	0	40	-1.0	-50.40	341.00	3.65	-46.75
COC1CN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CCC1C(=O)[O-]	REAL300008164874	0	40	-1.0	-56.83	349.62	3.81	-53.02
COC1CN(S(=O)(=O)C2=C3C=CC=CC3=NN2C)CCC1C(=O)[O-]	REAL300008164875	0	42	-1.0	-54.01	348.68	4.69	-49.32
COC1CN(S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)CCC1C(=O)[O-]	REAL300008164876	0	43	-1.0	-56.55	357.96	6.45	-50.10
COC1CN(S(=O)(=O)C2=C(C)N(C3=CC=CC=C3)N=C2C)CCC1C(=O)[O-]	REAL300008164877	0	49	-1.0	-55.34	394.31	7.03	-48.31
COC1CN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CCC1C(=O)[O-]	REAL300008164878	0	47	-1.0	-54.77	393.04	7.55	-47.22
COC1CN(S(=O)(=O)C2=CC=CC=C2C(C)(F)F)CCC1C(=O)[O-]	REAL300008164879	0	42	-1.0	-52.18	332.68	6.54	-45.64
COC1CN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CCC1C(=O)[O-]	REAL300008164880	0	37	-1.0	-51.90	342.25	3.62	-48.28
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164881	0	47	-1.0	-54.90	387.97	6.32	-48.58
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(C2CC2)=N1	REAL300008164882	0	46	-1.0	-53.26	368.53	4.94	-48.32
COC1CN(S(=O)(=O)C2=C(C)C=CC3=NSN=C32)CCC1C(=O)[O-]	REAL300008164883	0	40	-1.0	-50.58	337.39	3.80	-46.78
COC1CN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CCC1C(=O)[O-]	REAL300008164884	0	42	-1.0	-54.44	366.68	6.94	-47.50
COC1CN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)CCC1C(=O)[O-]	REAL300008164885	0	35	-1.0	-51.03	331.25	2.76	-48.27
COC1CN(S(=O)(=O)C2=CC(C)=NN2C2CCCC2)CCC1C(=O)[O-]	REAL300008164886	0	49	-1.0	-49.07	389.62	5.68	-43.39
COC1CN(S(=O)(=O)C2=C(Cl)OC=C2)CCC1C(=O)[O-]	REAL300008164887	0	33	-1.0	-49.08	295.21	2.94	-46.14
COC1CN(S(=O)(=O)C2=CC(Cl)=CS2)CCC1C(=O)[O-]	REAL300008164888	0	33	-1.0	-46.79	312.57	3.62	-43.17
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164889	0	50	-1.0	-50.20	402.79	5.07	-45.13
COC1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CCC1C(=O)[O-]	REAL300008164890	0	42	-1.0	-53.93	357.53	7.24	-46.69
COC1CN(S(=O)(=O)C2=C3COCCC3=NN2C)CCC1C(=O)[O-]	REAL300008164891	0	44	-1.0	-52.02	344.51	2.07	-49.95
COC1CN(S(=O)(=O)C2=CC=CC=C2C2CC2)CCC1C(=O)[O-]	REAL300008164892	0	43	-1.0	-49.93	341.58	6.86	-43.07
COC1CN(S(=O)(=O)N2CCC(C)(C)CC2)CCC1C(=O)[O-]	REAL300008164893	0	47	-1.0	-52.78	355.92	4.18	-48.60
COC1CN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CCC1C(=O)[O-]	REAL300008164894	0	51	-1.0	-51.76	408.70	4.45	-47.31
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164895	0	39	-1.0	-49.22	342.34	2.43	-46.79
COC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C=C1C	REAL300008164896	0	42	-1.0	-54.02	351.49	1.58	-52.44
COC1CN(S(=O)(=O)C2=CN(CC(C)C)N=C2)CCC1C(=O)[O-]	REAL300008164897	0	45	-1.0	-55.29	371.65	4.80	-50.49
COC1CN(S(=O)(=O)C2=CN(C(C)C)N=C2C)CCC1C(=O)[O-]	REAL300008164898	0	45	-1.0	-51.82	359.93	4.05	-47.77
COC1CN(S(=O)(=O)N2CCN(CC(F)F)CC2)CCC1C(=O)[O-]	REAL300008164899	0	46	-1.0	-55.93	363.03	1.37	-54.56
COCC1=CC(CS(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=NO1	REAL300008164900	0	42	-1.0	-55.30	361.24	1.96	-53.34
COC1CN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)CCC1C(=O)[O-]	REAL300008164901	0	47	-1.0	-51.31	376.32	5.17	-46.14
COC1CN(S(=O)(=O)C2=CC=NN2C(C)C)CCC1C(=O)[O-]	REAL300008164902	0	42	-1.0	-51.76	343.24	3.85	-47.91
COC1CN(S(=O)(=O)C2=CC=NN2CC2CC2)CCC1C(=O)[O-]	REAL300008164903	0	43	-1.0	-47.18	352.27	4.67	-42.51
COC1CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CCC1C(=O)[O-]	REAL300008164904	0	43	-1.0	-51.31	356.95	5.85	-45.46
COC1CN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)CCC1C(=O)[O-]	REAL300008164905	0	38	-1.0	-50.82	332.11	3.70	-47.12
COC1CN(S(=O)(=O)N2CCC3=CC=CN=C32)CCC1C(=O)[O-]	REAL300008164906	0	41	-1.0	-59.46	341.45	4.47	-54.99
COC1CN(S(=O)(=O)C2=C(C)N(C(C)C)N=C2)CCC1C(=O)[O-]	REAL300008164907	0	45	-1.0	-49.33	356.49	4.17	-45.16
COC1CN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)CCC1C(=O)[O-]	REAL300008164908	0	41	-1.0	-53.33	341.00	5.14	-48.19
COC1CN(S(=O)(=O)C2=NC=C(C)C=C2C)CCC1C(=O)[O-]	REAL300008164909	0	41	-1.0	-51.70	332.16	4.14	-47.56
COC1CN(S(=O)(=O)C2=CC=NC=C2C)CCC1C(=O)[O-]	REAL300008164910	0	38	-1.0	-46.81	304.52	3.76	-43.05
COC1CN(S(=O)(=O)N2CC=C(Br)CC2)CCC1C(=O)[O-]	REAL300008164911	0	39	-1.0	-53.16	334.59	4.42	-48.74
COC1CN(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)CCC1C(=O)[O-]	REAL300008164912	0	44	-1.0	-63.47	361.41	-0.04	-63.51
COC1CN(S(=O)(=O)N2CC3CCC(C2)O3)CCC1C(=O)[O-]	REAL300008164913	0	43	-1.0	-52.25	328.21	2.38	-49.87
COC1CN(S(=O)(=O)N2CCC(C#N)CC2)CCC1C(=O)[O-]	REAL300008164914	0	42	-1.0	-58.96	341.52	4.20	-54.76
COC1=CC=NC(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)=C1	REAL300008164915	0	39	-1.0	-52.32	329.30	1.54	-50.78
C=CCN(CC=C)S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164916	0	42	-1.0	-48.75	347.71	3.94	-44.81
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)C(C(F)F)=C1	REAL300008164917	0	43	-1.0	-49.75	345.28	5.31	-44.44
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(OC)C2)N=C1	REAL300008164918	0	39	-1.0	-51.87	329.34	2.14	-49.73
COC1CN(S(=O)(=O)C2=NC=CC=C2C)CCC1C(=O)[O-]	REAL300008164919	0	38	-1.0	-52.01	312.38	3.45	-48.56
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164920	0	42	-1.0	-48.82	364.72	2.93	-45.89
COC1CN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)CCC1C(=O)[O-]	REAL300008164921	0	41	-1.0	-50.35	335.83	5.10	-45.25
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300008164922	0	42	-1.0	-54.60	350.18	3.97	-50.63
COC1CN(S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)CCC1C(=O)[O-]	REAL300008164923	0	44	-1.0	-54.51	355.56	6.33	-48.18
COC1CN(S(=O)(=O)C2=CC=NC(C)=C2)CCC1C(=O)[O-]	REAL300008164924	0	38	-1.0	-53.90	323.16	2.95	-50.95
COC1CN(S(=O)(=O)C2=CNC3=CC=CC=C23)CCC1C(=O)[O-]	REAL300008164925	0	40	-1.0	-54.00	334.40	4.48	-49.52
COC1CN(S(=O)(=O)N2CCC(F)(F)C2)CCC1C(=O)[O-]	REAL300008164926	0	38	-1.0	-50.43	315.38	2.51	-47.92
COC1CN(S(=O)(=O)C2=CN=CS2)CCC1C(=O)[O-]	REAL300008164927	0	32	-1.0	-48.44	290.38	1.83	-46.61
COC1CN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)CCC1C(=O)[O-]	REAL300008164928	0	38	-1.0	-54.44	333.91	3.16	-51.28
COC1CN(S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)CCC1C(=O)[O-]	REAL300008164929	0	49	-1.0	-50.33	383.86	6.05	-44.28
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1	REAL300008164930	0	43	-1.0	-42.82	345.87	6.05	-36.77
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1OC	REAL300008164931	0	38	-1.0	-59.79	308.47	4.63	-55.16
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1C	REAL300008164932	0	34	-1.0	-37.45	294.31	5.14	-32.31
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008164933	0	35	-1.0	-55.59	302.31	4.48	-51.11
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008164934	0	37	-1.0	-52.90	327.93	0.99	-51.91
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008164935	0	35	-1.0	-40.59	306.35	3.53	-37.06
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300008164936	0	42	-1.0	-42.60	331.73	3.73	-38.87
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300008164937	0	34	-1.0	-37.96	289.73	5.04	-32.92
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008164938	0	47	-1.0	-42.96	369.07	7.27	-35.69
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008164939	0	37	-1.0	-46.85	311.71	2.62	-44.23
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300008164940	0	31	-1.0	-40.41	274.76	4.41	-36.00
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008164941	0	31	-1.0	-40.50	281.66	4.35	-36.15
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300008164942	0	36	-1.0	-49.38	299.35	5.53	-43.85
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008164943	0	37	-1.0	-42.11	327.39	5.48	-36.63
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008164944	0	41	-1.0	-45.06	347.81	0.06	-45.00
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300008164945	0	42	-1.0	-45.62	349.84	5.30	-40.32
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008164946	0	37	-1.0	-44.87	305.20	4.19	-40.68
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(COC)C=C1	REAL300008164947	0	38	-1.0	-43.04	322.29	3.19	-39.85
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=N1	REAL300008164948	0	37	-1.0	-41.84	309.52	1.32	-40.52
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008164949	0	40	-1.0	-53.52	352.23	1.67	-51.85
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300008164950	0	36	-1.0	-48.26	314.38	-0.50	-48.76
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300008164951	0	41	-1.0	-42.07	318.27	4.45	-37.62
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008164952	0	36	-1.0	-57.94	315.03	4.53	-53.41
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008164953	0	34	-1.0	-39.49	304.13	5.12	-34.37
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008164954	0	36	-1.0	-45.40	301.38	4.11	-41.29
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1	REAL300008164955	0	48	-1.0	-46.34	404.94	2.63	-43.71
CC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300008164956	0	41	-1.0	-48.62	320.44	-0.49	-49.11
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300008164957	0	40	-1.0	-49.72	332.57	4.71	-45.01
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300008164958	0	40	-1.0	-47.14	324.24	3.28	-43.86
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300008164959	0	40	-1.0	-49.35	333.02	4.71	-44.64
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008164960	0	43	-1.0	-43.17	315.28	6.28	-36.89
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008164961	0	44	-1.0	-49.40	362.67	6.56	-42.84
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008164962	0	39	-1.0	-45.87	333.49	2.86	-43.01
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300008164963	0	37	-1.0	-41.10	326.49	4.82	-36.28
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300008164964	0	39	-1.0	-54.29	329.27	3.76	-50.53
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC	REAL300008164965	0	39	-1.0	-42.99	331.58	3.78	-39.21
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300008164966	0	34	-1.0	-41.33	299.85	4.92	-36.41
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008164967	0	37	-1.0	-41.52	313.93	6.39	-35.13
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008164968	0	36	-1.0	-49.07	308.54	6.06	-43.01
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008164969	0	35	-1.0	-43.26	305.82	3.39	-39.87
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008164970	0	38	-1.0	-55.08	323.68	5.21	-49.87
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300008164971	0	46	-1.0	-44.63	357.85	4.36	-40.27
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008164972	0	34	-1.0	-43.70	299.39	4.33	-39.37
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300008164973	0	42	-1.0	-60.90	342.14	3.70	-57.20
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CCOC2CCOC2)C1	REAL300008186001	0	46	-1.0	-51.92	368.91	3.31	-48.61
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CC2COCCO2)C1	REAL300008186002	0	43	-1.0	-54.51	344.26	3.11	-51.40
CC1=NC(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008186003	0	47	-1.0	-55.49	392.78	4.83	-50.66
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300008186004	0	55	-1.0	-51.67	392.45	8.77	-42.90
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CCN2C=NN=N2)C1	REAL300008186005	0	39	-1.0	-58.44	330.29	3.83	-54.61
CC1(C)COC(CS(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C1	REAL300008186006	0	48	-1.0	-52.18	375.69	5.41	-46.77
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300008186007	0	41	-1.0	-57.58	346.42	1.59	-55.99
CC(C)(CS(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-])C(C)(F)F	REAL300008186008	0	46	-1.0	-50.96	354.43	6.35	-44.61
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CCCCS(C)(=O)=O)C1	REAL300008186009	0	46	-1.0	-61.34	385.92	2.71	-58.63
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CC2CCC(C)(C)CO2)C1	REAL300008186010	0	51	-1.0	-54.49	390.29	6.05	-48.44
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300008186011	0	48	-1.0	-50.47	385.97	8.20	-42.27
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300008186012	0	42	-1.0	-55.51	362.08	5.14	-50.37
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300008186013	0	48	-1.0	-54.03	396.73	8.70	-45.33
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300008186014	0	47	-1.0	-56.74	369.67	3.30	-53.44
COCCC1(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])CC1	REAL300008186015	0	45	-1.0	-51.33	356.69	5.08	-46.25
CCN1N=CC(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=N1	REAL300008186016	0	40	-1.0	-54.19	334.98	2.93	-51.26
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300008186017	0	51	-1.0	-52.74	381.54	8.12	-44.62
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300008186018	0	42	-1.0	-50.69	358.15	7.39	-43.30
COC1=CC=C(C=C(C)S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1	REAL300008186019	0	49	-1.0	-57.95	385.02	7.89	-50.06
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186020	0	43	-1.0	-54.35	339.43	2.91	-51.44
CC1=COC(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300008186021	0	38	-1.0	-52.25	321.14	4.62	-47.63
CC1=CC=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])O1	REAL300008186022	0	38	-1.0	-52.99	320.78	4.76	-48.23
CCC1=NNC=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186023	0	41	-1.0	-59.15	325.62	4.48	-54.67
COC1=CSC(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1OC	REAL300008186024	0	43	-1.0	-54.66	364.23	4.80	-49.86
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300008186025	0	50	-1.0	-51.06	374.68	6.53	-44.53
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186026	0	49	-1.0	-55.90	380.98	8.50	-47.40
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300008186027	0	42	-1.0	-51.41	359.05	6.95	-44.46
COC1=CC(F)=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C(F)=C1	REAL300008186028	0	42	-1.0	-54.25	340.02	5.72	-48.53
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300008186029	0	42	-1.0	-51.00	346.65	6.00	-45.00
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186030	0	44	-1.0	-54.37	349.20	6.60	-47.77
CN1C=CC2=CC(S(=O)(=O)N3CC(C)(C)CC3CC(=O)[O-])=CC=C21	REAL300008186031	0	45	-1.0	-56.89	368.07	7.86	-49.03
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186032	0	51	-1.0	-55.34	407.45	8.54	-46.80
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300008186033	0	49	-1.0	-56.65	403.20	8.95	-47.70
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186034	0	44	-1.0	-61.72	326.25	8.07	-53.65
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300008186035	0	39	-1.0	-52.93	346.34	5.50	-47.43
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300008186036	0	49	-1.0	-63.95	384.88	7.98	-55.97
CCN1C=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C(C2CC2)=N1	REAL300008186037	0	48	-1.0	-53.27	377.55	6.34	-46.93
CC1=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C2=NSN=C2C=C1	REAL300008186038	0	42	-1.0	-62.73	345.36	5.10	-57.63
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300008186039	0	44	-1.0	-55.69	363.76	9.12	-46.57
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300008186040	0	37	-1.0	-57.23	343.15	4.05	-53.18
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300008186041	0	51	-1.0	-47.88	392.34	6.62	-41.26
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=C(Cl)OC=C2)C1	REAL300008186042	0	35	-1.0	-53.93	302.76	5.21	-48.72
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300008186043	0	35	-1.0	-49.80	323.20	5.61	-44.19
COCCC1=CC=C(OC)C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300008186044	0	52	-1.0	-56.67	415.41	6.45	-50.22
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300008186045	0	44	-1.0	-58.44	355.90	9.27	-49.17
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186046	0	46	-1.0	-52.65	354.30	4.28	-48.37
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300008186047	0	45	-1.0	-60.47	344.15	8.76	-51.71
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300008186048	0	49	-1.0	-51.85	344.54	6.03	-45.82
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300008186049	0	53	-1.0	-52.48	416.37	6.51	-45.97
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186050	0	41	-1.0	-50.24	353.48	3.85	-46.39
COC1=NC=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1C	REAL300008186051	0	44	-1.0	-51.23	361.66	3.49	-47.74
CC(C)CN1C=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C=N1	REAL300008186052	0	47	-1.0	-49.32	377.29	6.25	-43.07
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186053	0	47	-1.0	-55.30	363.44	6.24	-49.06
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300008186054	0	48	-1.0	-58.02	364.17	4.09	-53.93
COCC1=CC(CS(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=NO1	REAL300008186055	0	44	-1.0	-60.61	368.32	4.00	-56.61
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])N=C1	REAL300008186056	0	49	-1.0	-51.18	386.73	6.47	-44.71
CC(C)N1N=CC=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186057	0	44	-1.0	-57.11	346.79	5.78	-51.33
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300008186058	0	45	-1.0	-52.71	348.15	6.48	-46.23
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300008186059	0	45	-1.0	-51.06	369.52	7.35	-43.71
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300008186060	0	40	-1.0	-55.81	344.43	5.09	-50.72
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300008186061	0	43	-1.0	-60.15	340.81	6.97	-53.18
CC1=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C=NN1C(C)C	REAL300008186062	0	47	-1.0	-64.22	366.69	6.36	-57.86
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300008186063	0	43	-1.0	-59.21	352.13	6.53	-52.68
CC1=CN=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C(C)=C1	REAL300008186064	0	43	-1.0	-63.77	332.94	6.62	-57.15
CC1=CN=CC=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186065	0	40	-1.0	-54.95	305.10	5.31	-49.64
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300008186066	0	41	-1.0	-50.26	345.65	5.77	-44.49
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186067	0	46	-1.0	-60.50	361.07	2.33	-58.17
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300008186068	0	45	-1.0	-55.30	312.07	3.98	-51.32
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)N2CCC(C#N)CC2)C1	REAL300008186069	0	44	-1.0	-52.58	339.39	5.73	-46.85
COC1=CC=NC(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300008186070	0	41	-1.0	-53.84	339.61	3.62	-50.22
C=CCN(CC=C)S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186071	0	44	-1.0	-54.21	344.68	6.39	-47.82
COC1=CC=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C(C(F)F)=C1	REAL300008186072	0	45	-1.0	-61.42	356.66	7.07	-54.35
COC1=CC=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])N=C1	REAL300008186073	0	41	-1.0	-56.56	339.79	3.46	-53.10
CC1=CC=CN=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186074	0	40	-1.0	-52.35	320.96	4.83	-47.52
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186075	0	44	-1.0	-50.58	375.62	4.31	-46.27
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300008186076	0	43	-1.0	-57.53	334.83	6.88	-50.65
CCOC1=CC=CN=C1S(=O)(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300008186077	0	44	-1.0	-58.69	359.42	5.29	-53.40
CC1=CC=C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])C2=NC=CC=C12	REAL300008186078	0	46	-1.0	-58.90	368.45	7.54	-51.36
CC1=CC(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=CC=N1	REAL300008186079	0	40	-1.0	-51.80	316.90	5.17	-46.63
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300008186080	0	42	-1.0	-53.24	344.50	5.94	-47.30
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)N2CCC(F)(F)C2)C1	REAL300008186081	0	40	-1.0	-48.76	331.27	4.59	-44.17
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CN=CS2)C1	REAL300008186082	0	34	-1.0	-48.76	301.59	3.01	-45.75
CC1(C)CC(CC(=O)[O-])N(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300008186083	0	40	-1.0	-53.04	342.35	5.18	-47.86
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300008186084	0	51	-1.0	-55.56	395.72	8.07	-47.49
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC=C1)C1=CC=CN=C1	REAL300008186085	0	37	-1.0	-55.29	301.48	4.15	-51.14
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CN=C1	REAL300008186086	0	37	-1.0	-56.54	309.46	4.32	-52.22
CC(=O)C1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186087	0	42	-1.0	-65.95	344.32	4.65	-61.30
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CS1)C1=CC=CN=C1	REAL300008186088	0	34	-1.0	-58.91	294.60	3.32	-55.59
CCC(C)C1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186089	0	49	-1.0	-56.30	383.36	6.98	-49.32
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)S1	REAL300008186090	0	37	-1.0	-56.62	316.81	4.03	-52.59
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(Cl)S1)C1=CC=CN=C1	REAL300008186091	0	34	-1.0	-55.91	311.64	3.95	-51.96
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186092	0	44	-1.0	-60.91	355.51	4.83	-56.08
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=CC=CN=C1	REAL300008186093	0	43	-1.0	-61.93	363.79	1.78	-60.15
COC1=CC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1OC	REAL300008186094	0	48	-1.0	-53.33	375.85	4.18	-49.15
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186095	0	40	-1.0	-50.24	333.74	5.54	-44.70
CN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186096	0	37	-1.0	-46.84	307.43	2.01	-44.83
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186097	0	43	-1.0	-55.26	337.89	3.29	-51.97
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=CC=CN=C1	REAL300008186098	0	43	-1.0	-58.32	348.03	3.56	-54.76
CCC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186099	0	43	-1.0	-56.32	345.98	5.69	-50.63
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC=C1Br)C1=CC=CN=C1	REAL300008186100	0	37	-1.0	-43.86	315.54	5.01	-38.85
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(Br)=C1)C1=CC=CN=C1	REAL300008186101	0	37	-1.0	-55.92	324.35	4.87	-51.05
CC1=NNC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186102	0	37	-1.0	-55.81	305.63	1.31	-54.50
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186103	0	42	-1.0	-65.72	332.80	6.53	-59.19
CC(CC(=O)[O-])(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1=CC=CN=C1	REAL300008186104	0	43	-1.0	-48.84	365.80	6.58	-42.26
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186105	0	47	-1.0	-51.82	387.70	1.18	-50.64
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186106	0	48	-1.0	-58.60	387.32	6.24	-52.36
CC1=CC(F)=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186107	0	40	-1.0	-52.92	329.28	4.88	-48.04
CC(CC(=O)[O-])(NS(=O)(=O)CCC1CC1)C1=CC=CN=C1	REAL300008186108	0	40	-1.0	-46.48	320.72	4.66	-41.82
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1=CC=CN=C1	REAL300008186109	0	43	-1.0	-54.89	349.44	4.82	-50.07
COCC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186110	0	44	-1.0	-57.13	358.15	3.98	-53.15
CCOC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186111	0	43	-1.0	-54.32	352.68	1.92	-52.40
CC(CC(=O)[O-])(NS(=O)(=O)CCCS(C)(=O)=O)C1=CC=CN=C1	REAL300008186112	0	42	-1.0	-55.30	353.37	0.64	-54.66
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=C1C	REAL300008186113	0	47	-1.0	-53.07	363.04	4.98	-48.09
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1=CC=CN=C1	REAL300008186114	0	42	-1.0	-57.17	344.51	4.77	-52.40
CC(CC(=O)[O-])(NS(=O)(=O)CC1=NOC=C1)C1=CC=CN=C1	REAL300008186115	0	36	-1.0	-49.08	302.55	2.56	-46.52
CC1=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=NN1C	REAL300008186116	0	40	-1.0	-44.06	319.27	2.35	-41.71
CCN1N=C(C)C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1C	REAL300008186117	0	46	-1.0	-54.97	359.70	4.16	-50.81
CC(C)N1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186118	0	43	-1.0	-56.42	347.68	3.25	-53.17
CC(C)CN1C=NC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186119	0	46	-1.0	-62.43	369.44	5.80	-56.63
CC(C)N1C=NC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186120	0	43	-1.0	-61.96	350.34	5.21	-56.75
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CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1=CC=CN=C1	REAL300008186126	0	40	-1.0	-57.66	337.26	5.18	-52.48
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COCCC(C)S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186128	0	43	-1.0	-45.72	329.96	2.63	-43.09
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CCC(C)CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186130	0	42	-1.0	-45.34	323.07	4.48	-40.86
CC1=NC2=C(S(=O)(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)C=CC=C2C=C1	REAL300008186131	0	45	-1.0	-51.15	361.77	5.71	-45.44
CC(CC(=O)[O-])(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=CC=CN=C1	REAL300008186132	0	45	-1.0	-51.35	363.67	6.02	-45.33
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1=CC=CN=C1	REAL300008186133	0	48	-1.0	-56.55	380.07	2.70	-53.85
CCCN1C=NC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186134	0	43	-1.0	-53.12	347.99	6.04	-47.08
COCCOCCOCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186135	0	51	-1.0	-52.14	412.87	1.93	-50.21
CC(CC(=O)[O-])(NS(=O)(=O)CCOCC1CC1)C1=CC=CN=C1	REAL300008186136	0	44	-1.0	-47.53	349.84	3.43	-44.10
CC(COC1CCCC1)CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186137	0	53	-1.0	-46.48	400.46	5.48	-41.00
COCC(C)CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186138	0	43	-1.0	-45.15	337.78	2.93	-42.22
CCOCC(C)CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186139	0	46	-1.0	-45.23	359.64	3.90	-41.33
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1=CC=CN=C1	REAL300008186140	0	45	-1.0	-55.94	361.08	1.91	-54.03
COC1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CC=C1[N+](=O)[O-]	REAL300008186141	0	43	-1.0	-54.11	359.07	5.16	-48.95
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186142	0	46	-1.0	-54.88	355.74	6.28	-48.60
CC(CC(=O)[O-])(NS(=O)(=O)CCCN1CCOCC1)C1=CC=CN=C1	REAL300008186143	0	49	-1.0	-47.53	377.50	1.54	-45.99
CCOC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186144	0	44	-1.0	-58.47	354.41	4.48	-53.99
COCCN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186145	0	44	-1.0	-50.91	362.56	1.93	-48.98
CC(C)(C)CCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186146	0	45	-1.0	-45.84	344.97	4.79	-41.05
CC(CC(=O)[O-])(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1=CC=CN=C1	REAL300008186147	0	45	-1.0	-49.18	372.40	6.31	-42.87
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1=CC=CN=C1	REAL300008186148	0	42	-1.0	-57.46	344.72	4.65	-52.81
COCC1=CC=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186149	0	44	-1.0	-55.62	348.66	4.47	-51.15
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1=CC=CN=C1	REAL300008186150	0	40	-1.0	-45.70	346.84	3.38	-42.32
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1=CC=CN=C1	REAL300008186151	0	40	-1.0	-45.52	341.96	3.17	-42.35
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C1=CC=CN=C1	REAL300008186152	0	48	-1.0	-56.07	380.51	5.51	-50.56
CSC1=CC=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186153	0	41	-1.0	-44.70	335.03	5.35	-39.35
CCC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186154	0	43	-1.0	-57.20	346.56	5.84	-51.36
CCC1=CC=C(CS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186155	0	46	-1.0	-49.12	365.73	6.28	-42.84
CC(CC(=O)[O-])(NS(=O)(=O)CCC1=CC=CS1)C1=CC=CN=C1	REAL300008186156	0	40	-1.0	-46.81	334.28	4.71	-42.10
CC1=CC=C(CS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1C	REAL300008186157	0	46	-1.0	-49.84	365.98	6.48	-43.36
CC1=NOC(CS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186158	0	39	-1.0	-50.60	324.49	3.43	-47.17
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186159	0	44	-1.0	-55.16	368.24	-0.64	-55.80
CC1=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)OC2=CC=C(F)C=C12	REAL300008186160	0	43	-1.0	-46.19	358.35	5.92	-40.27
CC(CC(=O)[O-])(NS(=O)(=O)CCC1CCCO1)C1=CC=CN=C1	REAL300008186161	0	44	-1.0	-47.74	345.59	3.36	-44.38
CC(CC(=O)[O-])(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C1=CC=CN=C1	REAL300008186162	0	48	-1.0	-49.04	379.94	5.46	-43.58
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1N(C)C	REAL300008186163	0	48	-1.0	-56.32	378.51	5.07	-51.25
CC(CC(=O)[O-])(NS(=O)(=O)C1=C2OCCCN2N=C1)C1=CC=CN=C1	REAL300008186164	0	42	-1.0	-47.98	339.25	1.12	-46.86
CC(CC(=O)[O-])(NS(=O)(=O)CCOCC1CCCC1)C1=CC=CN=C1	REAL300008186165	0	50	-1.0	-46.80	389.13	5.08	-41.72
COC1=CC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1Cl	REAL300008186166	0	44	-1.0	-51.92	362.66	4.82	-47.10
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186167	0	49	-1.0	-59.01	375.19	4.63	-54.38
COC(C)CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186168	0	40	-1.0	-45.72	321.73	2.15	-43.57
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)C=C12	REAL300008186169	0	44	-1.0	-53.62	362.70	1.74	-51.88
CN1N=CC2=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)=CN=C21	REAL300008186170	0	42	-1.0	-55.40	349.43	3.54	-51.86
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN2CCCCC2=N1)C1=CC=CN=C1	REAL300008186171	0	44	-1.0	-50.74	350.08	4.83	-45.91
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=C1F	REAL300008186172	0	44	-1.0	-55.05	352.52	4.51	-50.54
CC(CC(=O)[O-])(NS(=O)(=O)CC1(C)CCCCC1)C1=CC=CN=C1	REAL300008186173	0	49	-1.0	-47.18	353.59	6.03	-41.15
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C1=CC=CN=C1	REAL300008186174	0	46	-1.0	-49.20	361.62	5.73	-43.47
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=CN=C1	REAL300008186175	0	45	-1.0	-52.32	370.90	5.31	-47.01
CN1N=NC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186176	0	36	-1.0	-46.19	296.91	0.77	-45.42
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186177	0	44	-1.0	-53.46	373.27	4.38	-49.08
CC1=CC=C(CS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(F)=C1	REAL300008186178	0	43	-1.0	-48.69	354.25	5.98	-42.71
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186179	0	49	0.0	-88.57	381.45	6.16	-82.41
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C1=CC=CN=C1	REAL300008186180	0	37	-1.0	-53.48	335.55	4.42	-49.06
CC(CC(=O)[O-])(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C1=CC=CN=C1	REAL300008186181	0	50	-1.0	-48.29	387.54	7.42	-40.87
CC(C)(C)C1=CC(CS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=NO1	REAL300008186182	0	48	-1.0	-52.90	385.68	5.30	-47.60
CC(CC(=O)[O-])(NS(=O)(=O)CCC1CCC1)C1=CC=CN=C1	REAL300008186183	0	43	-1.0	-46.38	337.39	5.12	-41.26
CC(C)(C)CCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186184	0	48	-1.0	-45.54	366.47	5.56	-39.98
CC(CC(=O)[O-])(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C1=CC=CN=C1	REAL300008186185	0	46	-1.0	-52.66	364.02	1.71	-50.95
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1=CC=CN=C1	REAL300008186186	0	40	-1.0	-46.36	339.58	5.17	-41.19
CC1=C(CCS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)SC=N1	REAL300008186187	0	42	-1.0	-48.59	348.32	3.36	-45.23
COCC1(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)CC1	REAL300008186188	0	41	-1.0	-59.81	320.92	3.13	-56.68
CC(CC(=O)[O-])(NS(=O)(=O)CC12CCC(CC1)C2)C1=CC=CN=C1	REAL300008186189	0	47	-1.0	-47.36	352.05	5.89	-41.47
CC(CC(=O)[O-])(NS(=O)(=O)CC1CC(F)(F)C1)C1=CC=CN=C1	REAL300008186190	0	40	-1.0	-45.08	329.81	4.56	-40.52
CC(CC(=O)[O-])(NS(=O)(=O)CC12CCC(CC1)CC2)C1=CC=CN=C1	REAL300008186191	0	50	-1.0	-47.59	356.35	6.14	-41.45
CC(CC(=O)[O-])(NS(=O)(=O)CCC1CCOC1)C1=CC=CN=C1	REAL300008186192	0	44	-1.0	-49.22	343.10	3.07	-46.15
CC(C)(CCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)S(C)(=O)=O	REAL300008186193	0	48	-1.0	-54.09	377.52	1.72	-52.37
CC(CC(=O)[O-])(NS(=O)(=O)CC1CCCCC1(F)F)C1=CC=CN=C1	REAL300008186194	0	46	-1.0	-52.91	348.99	5.36	-47.55
CC(CC(=O)[O-])(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=CC=CN=C1	REAL300008186195	0	44	-1.0	-47.58	352.83	6.58	-41.00
CN1C=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=N1	REAL300008186196	0	37	-1.0	-60.98	309.93	2.20	-58.78
CCC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1[N+](=O)[O-]	REAL300008186197	0	45	-1.0	-54.97	364.07	5.99	-48.98
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC=CN=C1	REAL300008186198	0	37	-1.0	-54.21	321.40	4.91	-49.30
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(Br)C=C1)C1=CC=CN=C1	REAL300008186199	0	37	-1.0	-54.05	325.97	5.01	-49.04
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=CC=CN=C1	REAL300008186200	0	39	-1.0	-53.33	331.31	4.92	-48.41
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C1=CC=CN=C1	REAL300008186201	0	43	-1.0	-57.67	349.40	6.68	-50.99
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC=CN=C1	REAL300008186202	0	39	-1.0	-59.85	331.28	4.92	-54.93
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186203	0	42	-1.0	-53.22	345.23	5.70	-47.52
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186204	0	41	-1.0	-56.42	332.56	3.55	-52.87
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=CC=CN=C1	REAL300008186205	0	39	-1.0	-54.60	315.77	5.90	-48.70
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186206	0	40	-1.0	-56.75	324.49	4.93	-51.82
CCOC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186207	0	44	-1.0	-56.09	354.42	4.48	-51.61
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1C	REAL300008186208	0	49	-1.0	-53.41	362.18	6.87	-46.54
CC1=CC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=C1	REAL300008186209	0	46	-1.0	-54.29	351.56	6.68	-47.61
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186210	0	52	-1.0	-53.45	393.22	7.35	-46.10
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C1=CC=CN=C1	REAL300008186211	0	40	-1.0	-56.75	341.80	5.25	-51.50
CC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186212	0	40	-1.0	-56.94	324.47	4.92	-52.02
CC(CC(=O)[O-])(NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC=CN=C1	REAL300008186213	0	41	-1.0	-56.90	337.69	5.63	-51.27
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C1=CC=CN=C1	REAL300008186214	0	40	-1.0	-60.97	327.10	5.93	-55.04
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=CN=C1	REAL300008186215	0	37	-1.0	-56.06	319.79	4.77	-51.29
CC(=O)C1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186216	0	42	-1.0	-59.57	345.17	4.79	-54.78
CC1=CC=C(C)C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186217	0	43	-1.0	-53.71	338.36	5.70	-48.01
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1C	REAL300008186218	0	43	-1.0	-55.01	339.88	5.35	-49.66
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=C1	REAL300008186219	0	43	-1.0	-53.44	338.42	5.70	-47.74
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1[N+](=O)[O-]	REAL300008186220	0	43	-1.0	-61.64	359.12	5.15	-56.49
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186221	0	49	-1.0	-55.85	379.29	6.58	-49.27
CC(C)C1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186222	0	46	-1.0	-55.99	363.31	6.18	-49.81
CCCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186223	0	39	-1.0	-46.26	310.65	3.82	-42.44
CCCC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186224	0	46	-1.0	-56.13	367.48	6.47	-49.66
COC1=CC=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186225	0	41	-1.0	-46.88	331.25	4.19	-42.69
CC(CC(=O)[O-])(NS(=O)(=O)CC1=CC=CC=C1)C1=CC=CN=C1	REAL300008186226	0	40	-1.0	-49.05	322.66	4.85	-44.20
CC1=C(C)C(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=C1C	REAL300008186227	0	52	-1.0	-54.07	374.79	7.30	-46.77
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1=CC=CN=C1	REAL300008186228	0	46	-1.0	-55.53	364.28	4.09	-51.44
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1[N+](=O)[O-]	REAL300008186229	0	42	-1.0	-56.58	348.97	5.60	-50.98
CC1=NNC(C)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186230	0	40	-1.0	-54.21	317.35	2.08	-52.13
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C1=CC=CN=C1	REAL300008186231	0	40	-1.0	-53.52	341.82	5.25	-48.27
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1=CC=CN=C1	REAL300008186232	0	47	-1.0	-56.98	366.38	6.90	-50.08
COC1=CC=C(OC)C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186233	0	45	-1.0	-62.39	363.58	3.45	-58.94
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1OC	REAL300008186234	0	45	-1.0	-55.37	360.19	3.36	-52.01
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2CCCC2=C1)C1=CC=CN=C1	REAL300008186235	0	44	-1.0	-56.45	348.58	6.16	-50.29
CC1=NOC(C)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186236	0	39	-1.0	-41.39	316.17	3.12	-38.27
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1=CC=CN=C1	REAL300008186237	0	45	-1.0	-54.38	358.29	6.72	-47.66
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2OCCC2=C1)C1=CC=CN=C1	REAL300008186238	0	42	-1.0	-56.61	340.90	4.25	-52.36
CC(C)CCC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186239	0	52	-1.0	-56.06	406.54	7.76	-48.30
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C1=CC=CN=C1	REAL300008186240	0	42	-1.0	-59.97	357.32	-0.79	-60.76
CC1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CC([N+](=O)[O-])=C1C	REAL300008186241	0	45	-1.0	-58.13	363.89	5.89	-52.24
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1C	REAL300008186242	0	45	-1.0	-52.12	362.31	6.25	-45.87
CC1=CC2=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)=C2N=C1	REAL300008186243	0	45	-1.0	-51.87	363.97	5.60	-46.27
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C([N+](=O)[O-])=C1	REAL300008186244	0	43	-1.0	-54.99	345.55	5.19	-49.80
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186245	0	41	-1.0	-44.59	347.73	4.70	-39.89
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C1=CC=CN=C1	REAL300008186246	0	42	-1.0	-61.09	357.91	-0.64	-61.73
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C2=CC=CN=C12	REAL300008186247	0	45	-1.0	-55.91	360.80	5.72	-50.19
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1C	REAL300008186248	0	45	-1.0	-64.35	357.25	6.91	-57.44
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C1=CC=CN=C1	REAL300008186249	0	43	-1.0	-62.78	364.37	1.93	-60.85
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C1=CC=CN=C1	REAL300008186250	0	47	-1.0	-49.62	362.31	8.06	-41.56
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C1=CC=CN=C1	REAL300008186251	0	43	-1.0	-59.39	346.52	6.92	-52.47
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=CN=C1	REAL300008186252	0	47	-1.0	-56.84	377.25	7.66	-49.18
CC1=CC=C(F)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186253	0	40	-1.0	-51.97	323.34	5.10	-46.87
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=NSN=C21)C1=CC=CN=C1	REAL300008186254	0	38	-1.0	-61.15	330.25	2.84	-58.31
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186255	0	41	-1.0	-59.52	350.83	4.67	-54.85
COC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186256	0	41	-1.0	-57.81	333.11	3.70	-54.11
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186257	0	52	-1.0	-55.74	393.52	7.04	-48.70
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1Cl	REAL300008186258	0	40	-1.0	-53.25	336.93	5.26	-47.99
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186259	0	47	-1.0	-55.46	371.49	5.06	-50.40
CCC1=CC=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186260	0	43	-1.0	-53.46	333.06	5.94	-47.52
CC1=CC=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186261	0	40	-1.0	-53.72	316.95	5.03	-48.69
CC1=NC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CN1C	REAL300008186262	0	40	-1.0	-63.58	328.43	3.71	-59.87
CC(CC(=O)[O-])(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C1=CC=CN=C1	REAL300008186263	0	40	-1.0	-47.32	339.54	5.35	-41.97
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=NON=C21)C1=CC=CN=C1	REAL300008186264	0	38	-1.0	-59.39	321.87	3.21	-56.18
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C1=CC=CN=C1	REAL300008186265	0	42	-1.0	-51.37	342.64	4.95	-46.42
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186266	0	43	-1.0	-55.02	362.35	4.78	-50.24
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1F	REAL300008186267	0	41	-1.0	-55.30	337.17	3.51	-51.79
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1F	REAL300008186268	0	40	-1.0	-53.40	328.18	4.86	-48.54
CC1=CC=C(CS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186269	0	43	-1.0	-49.30	343.96	5.51	-43.79
CN1C=NC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186270	0	37	-1.0	-54.15	304.69	4.39	-49.76
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CN=C1)C1=CC=CN=C1	REAL300008186271	0	36	-1.0	-55.86	300.00	2.63	-53.23
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186272	0	42	-1.0	-49.12	345.24	5.70	-43.42
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186273	0	42	-1.0	-53.82	339.85	5.48	-48.34
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186274	0	45	-1.0	-53.42	361.49	6.59	-46.83
CC(C)CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186275	0	49	-1.0	-56.16	384.24	6.94	-49.22
COCCC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186276	0	47	-1.0	-56.54	379.65	4.76	-51.78
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186277	0	40	-1.0	-51.72	333.67	5.55	-46.17
COC1=C(C)C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1C	REAL300008186278	0	47	-1.0	-55.45	377.40	5.25	-50.20
CC(C)COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186279	0	50	-1.0	-55.65	396.02	5.97	-49.68
CCCOC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186280	0	47	-1.0	-55.66	375.92	5.28	-50.38
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1Cl	REAL300008186281	0	41	-1.0	-54.70	346.98	4.01	-50.69
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1C	REAL300008186282	0	44	-1.0	-54.60	351.03	4.19	-50.41
CC1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CC=C1OC(C)C	REAL300008186283	0	50	-1.0	-54.03	390.76	5.72	-48.31
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=C1	REAL300008186284	0	44	-1.0	-52.97	346.48	4.33	-48.64
COCCOC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186285	0	48	-1.0	-58.28	388.04	3.75	-54.53
CC(CC(=O)[O-])(NS(=O)(=O)CC1=CC=CC=C1F)C1=CC=CN=C1	REAL300008186286	0	40	-1.0	-53.89	332.87	5.31	-48.58
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1C	REAL300008186287	0	45	-1.0	-64.60	348.26	7.04	-57.56
CC1=NC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)S1	REAL300008186288	0	39	-1.0	-56.59	328.63	2.86	-53.73
CC(CC(=O)[O-])(NS(=O)(=O)C1=CSC2=CC=CC=C12)C1=CC=CN=C1	REAL300008186289	0	40	-1.0	-57.35	342.80	5.92	-51.43
CC(CC(=O)[O-])(NS(=O)(=O)CC1CCCC1)C1=CC=CN=C1	REAL300008186290	0	43	-1.0	-47.03	326.70	4.51	-42.52
COC1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CC=C1F	REAL300008186291	0	41	-1.0	-52.65	337.18	3.52	-49.13
CC(CC(=O)[O-])(NS(=O)(=O)C1=CSC=C1)C1=CC=CN=C1	REAL300008186292	0	34	-1.0	-55.42	294.98	3.44	-51.98
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C1=CC=CN=C1	REAL300008186293	0	47	-1.0	-58.21	377.85	7.82	-50.39
CC(CC(=O)[O-])(NS(=O)(=O)CC1CCCCC1)C1=CC=CN=C1	REAL300008186294	0	46	-1.0	-45.69	346.58	5.76	-39.93
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186295	0	45	-1.0	-51.39	364.02	5.61	-45.78
CNC(=O)C1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CN1C	REAL300008186296	0	45	-1.0	-58.93	367.47	1.83	-57.10
COC1=CC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=C1	REAL300008186297	0	47	-1.0	-53.44	359.58	5.31	-48.13
COC1=CC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1C	REAL300008186298	0	47	-1.0	-52.74	366.55	5.06	-47.68
CC1=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C2=CC=CN=C2C=C1	REAL300008186299	0	45	-1.0	-55.61	349.00	5.48	-50.13
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C1=CC=CN=C1	REAL300008186300	0	42	-1.0	-58.53	338.34	4.74	-53.79
CCN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C([N+](=O)[O-])=N1	REAL300008186301	0	42	-1.0	-60.13	350.71	4.96	-55.17
CCN1C=C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2=CC=CN=C2)C([N+](=O)[O-])=N1	REAL300008186301	1	41	-2.0	-120.90	359.35	5.45	-115.45
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186302	0	45	-1.0	-63.59	366.68	5.67	-57.92
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN=C2NC=CC=C12)C1=CC=CN=C1	REAL300008186303	0	40	-1.0	-72.86	332.59	3.49	-69.37
CC1=CC=CC(CS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186304	0	43	-1.0	-49.23	344.22	5.51	-43.72
CC(CC(=O)[O-])(NS(=O)(=O)CC1=CC=CC(F)=C1)C1=CC=CN=C1	REAL300008186305	0	40	-1.0	-47.53	329.22	4.91	-42.62
CC1=CC=CC=C1CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186306	0	43	-1.0	-48.56	343.25	5.86	-42.70
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186307	0	47	-1.0	-47.40	374.28	5.77	-41.63
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=CC=CN=C1	REAL300008186308	0	42	-1.0	-69.82	351.33	4.42	-65.40
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=CC=CN=C1	REAL300008186309	0	44	-1.0	-50.25	363.45	5.42	-44.83
COCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186310	0	37	-1.0	-46.66	301.91	1.37	-45.29
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1=CC=CN=C1	REAL300008186311	0	47	-1.0	-53.98	357.56	6.84	-47.14
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2COCC2=C1)C1=CC=CN=C1	REAL300008186312	0	42	-1.0	-55.95	340.94	3.70	-52.25
CC(CC(=O)[O-])(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1=CC=CN=C1	REAL300008186313	0	45	-1.0	-59.73	367.45	5.83	-53.90
CC(CC(=O)[O-])(NS(=O)(=O)C1CCS(=O)(=O)CC1)C1=CC=CN=C1	REAL300008186314	0	43	-1.0	-64.79	346.09	1.03	-63.76
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=CC=CN=C1	REAL300008186315	0	42	-1.0	-61.73	351.34	4.43	-57.30
CCOC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=C1	REAL300008186316	0	47	-1.0	-54.26	372.49	5.54	-48.72
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C1=CC=CN=C1	REAL300008186317	0	41	-1.0	-59.04	343.86	4.40	-54.64
CSC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186318	0	41	-1.0	-55.91	343.27	5.27	-50.64
CCCCCCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186319	0	48	-1.0	-46.26	375.15	6.16	-40.10
CCN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)N=C1C	REAL300008186320	0	43	-1.0	-57.50	348.29	4.03	-53.47
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COCC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186328	0	44	-1.0	-58.58	358.73	4.13	-54.45
CC(CC(=O)[O-])(NS(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1)C1=CC=CN=C1	REAL300008186329	0	48	-1.0	-50.90	380.95	5.58	-45.32
CCN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186330	0	40	-1.0	-46.83	328.96	2.88	-43.95
CC(CC(=O)[O-])(NS(=O)(=O)CC1=CC=CC=C1Cl)C1=CC=CN=C1	REAL300008186331	0	40	-1.0	-51.62	341.19	5.72	-45.90
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CC(CC(=O)[O-])(NS(=O)(=O)CC1CCOC1)C1=CC=CN=C1	REAL300008186333	0	41	-1.0	-46.15	320.35	2.44	-43.71
CC1CC2=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)=CC=C2O1	REAL300008186334	0	45	-1.0	-56.35	360.62	5.02	-51.33
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186335	0	49	-1.0	-41.61	346.13	6.87	-34.74
CCCCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186336	0	42	-1.0	-45.52	332.73	4.65	-40.87
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CC1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C(C)O1	REAL300008186338	0	40	-1.0	-45.04	321.78	3.81	-41.23
CC1=CSC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186339	0	37	-1.0	-58.20	316.24	3.99	-54.21
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C1=CC=CN=C1	REAL300008186340	0	40	-1.0	-49.17	333.35	5.05	-44.12
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2OCOC2=C1)C1=CC=CN=C1	REAL300008186341	0	40	-1.0	-55.36	329.65	3.06	-52.30
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186342	0	40	-1.0	-54.52	330.82	0.99	-53.53
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CO1)C1=CC=CN=C1	REAL300008186343	0	34	-1.0	-56.52	287.77	2.55	-53.97
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN=C2CCCN12)C1=CC=CN=C1	REAL300008186344	0	41	-1.0	-48.47	325.91	3.65	-44.82
CC(CC(=O)[O-])(NS(=O)(=O)C1=COC=C1)C1=CC=CN=C1	REAL300008186345	0	34	-1.0	-46.56	286.32	2.38	-44.18
CC1=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)SC=C1	REAL300008186346	0	37	-1.0	-57.39	312.77	3.96	-53.43
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1=CC=CN=C1	REAL300008186347	0	45	-1.0	-56.50	356.77	4.88	-51.62
CC(CC(=O)[O-])(NS(=O)(=O)C1CC2=CC=CC=C2C1)C1=CC=CN=C1	REAL300008186348	0	44	-1.0	-48.03	343.89	6.17	-41.86
CC(CC(=O)[O-])(NS(=O)(=O)C1CCOC1)C1=CC=CN=C1	REAL300008186349	0	38	-1.0	-54.38	300.70	1.52	-52.86
CC(CC(=O)[O-])(NS(=O)(=O)C1=CNC=N1)C1=CC=CN=C1	REAL300008186350	0	34	-1.0	-61.26	284.13	1.48	-59.78
CC1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CC=C1[N+](=O)[O-]	REAL300008186351	0	42	-1.0	-51.40	345.63	5.32	-46.08
CC(CC(=O)[O-])(NS(=O)(=O)CCCF)C1=CC=CN=C1	REAL300008186352	0	36	-1.0	-45.33	296.32	3.23	-42.10
CC(CC(=O)[O-])(NS(=O)(=O)CCCCF)C1=CC=CN=C1	REAL300008186353	0	39	-1.0	-46.59	317.82	4.01	-42.58
CC1=NN(C)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186354	0	40	-1.0	-57.61	329.19	2.79	-54.82
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)O1	REAL300008186355	0	37	-1.0	-46.71	308.96	3.44	-43.27
CC1=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)N(C)N=C1	REAL300008186356	0	40	-1.0	-43.30	313.18	2.84	-40.46
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C1=CC=CN=C1	REAL300008186357	0	39	-1.0	-55.44	335.63	3.77	-51.67
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CC1=CC2=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)C=C2C=C1	REAL300008186359	0	46	-1.0	-57.31	370.78	7.31	-50.00
COC1=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)SC=C1	REAL300008186360	0	38	-1.0	-50.03	323.73	2.77	-47.26
C=CCCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186361	0	40	-1.0	-46.11	323.46	4.38	-41.73
CN(C)C1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186362	0	45	-1.0	-57.72	355.19	4.82	-52.90
CC(CC(=O)[O-])(NS(=O)(=O)CC1CCC1)C1=CC=CN=C1	REAL300008186363	0	40	-1.0	-46.58	315.60	4.28	-42.30
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=C1OCC2)C1=CC=CN=C1	REAL300008186364	0	42	-1.0	-49.60	339.32	4.18	-45.42
CC(CC(=O)[O-])(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1=CC=CN=C1	REAL300008186365	0	42	-1.0	-55.18	350.63	4.55	-50.63
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2CCOC2=C1)C1=CC=CN=C1	REAL300008186366	0	42	-1.0	-57.52	340.75	4.25	-53.27
CC(CC(=O)[O-])(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C1=CC=CN=C1	REAL300008186367	0	43	-1.0	-46.66	360.91	6.16	-40.50
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CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1=CC=CN=C1	REAL300008186369	0	39	-1.0	-53.66	339.65	3.56	-50.10
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186370	0	45	-1.0	-63.00	358.91	4.64	-58.36
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186371	0	45	-1.0	-52.74	361.10	6.21	-46.53
CC1=CC=C(C)C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1[N+](=O)[O-]	REAL300008186372	0	45	-1.0	-45.61	353.64	7.35	-38.26
CC1=CC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1[N+](=O)[O-]	REAL300008186373	0	45	-1.0	-54.24	361.44	6.11	-48.13
COC1=CC=C(CCS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186374	0	47	-1.0	-48.89	373.69	4.94	-43.95
COC1=CN=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186375	0	40	-1.0	-53.44	326.03	1.63	-51.81
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)S1	REAL300008186376	0	46	-1.0	-58.57	375.68	5.98	-52.59
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C1=CC=CN=C1	REAL300008186377	0	44	-1.0	-55.98	352.28	6.36	-49.62
COC1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CC(OC)=C1	REAL300008186378	0	45	-1.0	-57.97	363.95	3.01	-54.96
CC(CC(=O)[O-])(NS(=O)(=O)CCC1CCCCC1)C1=CC=CN=C1	REAL300008186379	0	49	-1.0	-46.40	369.85	6.23	-40.17
CC1=CC=C(CCS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186380	0	46	-1.0	-47.82	365.58	6.31	-41.51
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)OCO2	REAL300008186381	0	43	-1.0	-51.78	342.94	3.70	-48.08
CC(CC(=O)[O-])(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C1=CC=CN=C1	REAL300008186382	0	40	-1.0	-50.26	331.06	4.68	-45.58
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CC(CC(=O)[O-])(NS(=O)(=O)CCC1CCCC1)C1=CC=CN=C1	REAL300008186384	0	46	-1.0	-46.27	353.35	5.66	-40.61
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CC1=C(C)SC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186391	0	40	-1.0	-56.51	335.26	4.59	-51.92
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C1=CC=CN=C1	REAL300008186392	0	38	-1.0	-53.18	327.54	2.23	-50.95
CC1=NC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)S1	REAL300008186393	0	36	-1.0	-56.56	311.35	2.18	-54.38
CCC1=NC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)S1	REAL300008186394	0	39	-1.0	-56.09	332.84	2.93	-53.16
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CN(C)C1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186396	0	44	-1.0	-56.79	350.75	4.06	-52.73
CC1=CC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)S1	REAL300008186397	0	40	-1.0	-57.56	334.07	4.81	-52.75
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1=CC=CN=C1	REAL300008186398	0	43	-1.0	-66.35	351.47	5.88	-60.47
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=C1OCO2)C1=CC=CN=C1	REAL300008186399	0	40	-1.0	-48.10	328.87	2.97	-45.13
CC1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CC(C)=C1F	REAL300008186400	0	43	-1.0	-53.76	350.85	5.71	-48.05
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C1=CC=CN=C1	REAL300008186401	0	44	-1.0	-63.07	359.62	4.15	-58.92
CC(CC(=O)[O-])(NS(=O)(=O)CCCOCC1=CC=CC=C1)C1=CC=CN=C1	REAL300008186402	0	50	-1.0	-48.23	404.59	6.13	-42.10
CC(CC(=O)[O-])(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C1=CC=CN=C1	REAL300008186403	0	41	-1.0	-65.50	341.58	4.43	-61.07
CC(CC(=O)[O-])(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C1=CC=CN=C1	REAL300008186404	0	39	-1.0	-62.29	337.44	3.85	-58.44
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186405	0	39	-1.0	-56.51	321.53	3.14	-53.37
CC1=NC(CS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CS1	REAL300008186406	0	39	-1.0	-48.89	334.16	2.97	-45.92
COC(CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)C1CC1	REAL300008186407	0	44	-1.0	-45.45	345.94	3.81	-41.64
CC(CC(=O)[O-])(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C1=CC=CN=C1	REAL300008186408	0	40	-1.0	-47.06	339.57	5.34	-41.72
CC1=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CC=C1Cl	REAL300008186409	0	40	-1.0	-54.14	339.08	5.50	-48.64
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1=CC=CN=C1	REAL300008186410	0	43	-1.0	-61.74	351.13	5.25	-56.49
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C1=CC=CN=C1	REAL300008186411	0	45	-1.0	-60.44	356.79	5.46	-54.98
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C1=CC=CN=C1	REAL300008186412	0	46	-1.0	-54.44	362.69	4.87	-49.57
CC(CC(=O)[O-])(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1=CC=CN=C1	REAL300008186413	0	40	-1.0	-47.42	347.54	5.76	-41.66
CCC1(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)CC1	REAL300008186414	0	40	-1.0	-57.29	310.06	4.24	-53.05
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186415	0	50	-1.0	-55.69	392.18	5.87	-49.82
COC(CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)C1CCCC1	REAL300008186416	0	50	-1.0	-45.29	377.59	4.82	-40.47
COC(CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)C1CCCCC1	REAL300008186417	0	53	-1.0	-46.93	390.08	5.14	-41.79
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CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1F	REAL300008186431	0	49	-1.0	-52.68	379.69	6.40	-46.28
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186432	0	47	-1.0	-51.62	362.85	4.69	-46.93
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CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C1=CC=CN=C1	REAL300008186434	0	47	-1.0	-55.56	370.33	4.51	-51.05
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COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186436	0	44	-1.0	-51.09	362.09	4.71	-46.38
C=CCCC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186437	0	47	-1.0	-56.27	380.29	7.04	-49.23
CCC1=NN(C)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186438	0	43	-1.0	-56.21	348.66	3.39	-52.82
CC(CC(=O)[O-])(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C1=CC=CN=C1	REAL300008186439	0	41	-1.0	-42.42	350.32	6.13	-36.29
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186440	0	43	-1.0	-50.87	346.87	6.52	-44.35
CC(CC(=O)[O-])(NS(=O)(=O)CCCC1CC1)C1=CC=CN=C1	REAL300008186441	0	43	-1.0	-46.35	342.27	5.39	-40.96
CC(CC(=O)[O-])(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C1=CC=CN=C1	REAL300008186442	0	41	-1.0	-57.91	351.95	6.06	-51.85
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186443	0	46	-1.0	-53.73	354.55	6.70	-47.03
COC1=NC=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186444	0	40	-1.0	-49.69	328.71	1.53	-48.16
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1=CC=CN=C1	REAL300008186445	0	42	-1.0	-62.79	339.68	5.00	-57.79
CC1=NC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)N1C	REAL300008186446	0	40	-1.0	-56.71	324.80	3.13	-53.58
CC1=CSC(C)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186447	0	40	-1.0	-50.93	325.34	4.83	-46.10
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C1=CC=CN=C1	REAL300008186448	0	44	-1.0	-48.16	352.77	3.99	-44.17
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=NN1C1CCC1)C1=CC=CN=C1	REAL300008186449	0	44	-1.0	-46.40	351.38	4.25	-42.15
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=NN1CC1CCC1)C1=CC=CN=C1	REAL300008186450	0	47	-1.0	-52.11	373.06	4.90	-47.21
CC(CC(=O)[O-])(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C1=CC=CN=C1	REAL300008186451	0	48	-1.0	-48.16	377.30	2.21	-45.95
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN=C2CCCCN12)C1=CC=CN=C1	REAL300008186452	0	44	-1.0	-47.33	346.69	4.33	-43.00
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186453	0	47	-1.0	-43.30	377.30	5.81	-37.49
CC1CC2=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)=C2O1	REAL300008186454	0	45	-1.0	-61.28	361.65	4.88	-56.40
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)S1	REAL300008186455	0	45	-1.0	-55.95	371.49	4.01	-51.94
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186456	0	42	-1.0	-57.12	343.77	3.66	-53.46
CCN1N=NC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186457	0	39	-1.0	-51.24	319.08	1.35	-49.89
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=NON=C2C=C1)C1=CC=CN=C1	REAL300008186458	0	38	-1.0	-53.02	319.25	3.18	-49.84
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1=CC=CN=C1	REAL300008186459	0	40	-1.0	-56.50	341.29	5.64	-50.86
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186460	0	44	-1.0	-46.27	349.02	3.91	-42.36
CC1=CC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=C1F	REAL300008186461	0	46	-1.0	-52.26	353.41	6.46	-45.80
COC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1OC	REAL300008186462	0	45	-1.0	-58.21	362.72	4.26	-53.95
CC(CC(=O)[O-])(NS(=O)(=O)C1=COC2=CC=CC=C12)C1=CC=CN=C1	REAL300008186463	0	40	-1.0	-48.48	333.50	4.67	-43.81
CN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C2CCCC2)=N1	REAL300008186464	0	50	-1.0	-56.61	391.96	5.25	-51.36
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186465	0	49	-1.0	-58.31	376.33	4.80	-53.51
CCCCN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C)=N1	REAL300008186466	0	49	-1.0	-53.92	389.91	4.91	-49.01
CN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C2CC2)=N1	REAL300008186467	0	44	-1.0	-56.26	362.39	4.30	-51.96
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1=CC=CN=C1	REAL300008186468	0	41	-1.0	-57.37	343.94	3.98	-53.39
CN1N=NC2=C(S(=O)(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)C=CC=C21	REAL300008186469	0	42	-1.0	-66.53	350.56	2.88	-63.65
CN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C2CCC2)=N1	REAL300008186470	0	47	-1.0	-55.81	377.03	4.79	-51.02
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1=CC=CN=C1	REAL300008186471	0	47	-1.0	-55.70	376.97	4.79	-50.91
CC(CC(=O)[O-])(NS(=O)(=O)C1=C(C2CC2)C=CS1)C1=CC=CN=C1	REAL300008186472	0	41	-1.0	-45.85	341.00	5.52	-40.33
CCCC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186473	0	46	-1.0	-57.23	368.06	6.62	-50.61
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CC1=CC=CC(C)=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186475	0	43	-1.0	-57.16	328.27	5.97	-51.19
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186476	0	46	-1.0	-50.78	351.84	4.13	-46.65
CC(C)(C)N1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186477	0	46	-1.0	-55.47	367.49	3.87	-51.60
CC(CC(=O)[O-])(NS(=O)(=O)C1=CNN=C1C1CCC1)C1=CC=CN=C1	REAL300008186478	0	44	-1.0	-55.49	352.32	3.41	-52.08
CC1=NN(C)C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186479	0	40	-1.0	-54.32	326.41	2.51	-51.81
CC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1C	REAL300008186480	0	43	-1.0	-53.58	334.91	5.60	-47.98
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186481	0	48	-1.0	-65.83	387.63	6.29	-59.54
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1=CC=CN=C1	REAL300008186482	0	48	-1.0	-55.52	371.21	7.30	-48.22
CC(CC(=O)[O-])(NS(=O)(=O)CC1=NOC2=C1COCC2)C1=CC=CN=C1	REAL300008186483	0	44	-1.0	-49.67	356.90	2.93	-46.74
CC(CC(=O)[O-])(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C1=CC=CN=C1	REAL300008186484	0	37	-1.0	-57.53	321.88	4.87	-52.66
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C1=CC=CN=C1	REAL300008186485	0	44	-1.0	-54.84	350.68	6.25	-48.59
COC1=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=CS1	REAL300008186486	0	38	-1.0	-44.56	325.50	2.82	-41.74
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=NN1C1CCCC1)C1=CC=CN=C1	REAL300008186487	0	47	-1.0	-45.58	359.67	4.70	-40.88
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186488	0	46	-1.0	-52.49	364.87	4.20	-48.29
CCC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)O1	REAL300008186489	0	40	-1.0	-56.15	331.11	4.15	-52.00
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186490	0	43	-1.0	-56.20	356.88	5.94	-50.26
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C1=CC=CN=C1	REAL300008186491	0	41	-1.0	-57.31	342.31	3.83	-53.48
COC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)S1	REAL300008186492	0	38	-1.0	-57.47	326.46	2.77	-54.70
CC1=CC(C)=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C2=NC=CC=C12	REAL300008186493	0	48	-1.0	-50.16	371.43	6.84	-43.32
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(CCF)N=C1)C1=CC=CN=C1	REAL300008186494	0	40	-1.0	-50.21	335.48	3.02	-47.19
CCOCC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186495	0	47	-1.0	-58.64	380.59	5.09	-53.55
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1=CC=CN=C1	REAL300008186496	0	50	-1.0	-55.53	389.32	5.11	-50.42
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC=C1CF)C1=CC=CN=C1	REAL300008186497	0	40	-1.0	-55.20	323.74	5.12	-50.08
CC1=CN=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186498	0	39	-1.0	-53.35	317.90	3.02	-50.33
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C2=CC=CC=C12	REAL300008186499	0	46	-1.0	-60.94	362.10	7.34	-53.60
CC(CC(=O)[O-])(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C1=CC=CN=C1	REAL300008186500	0	41	-1.0	-56.55	344.09	5.70	-50.85
CCOCCCS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186501	0	43	-1.0	-46.03	345.27	3.13	-42.90
CC(CC(=O)[O-])(NS(=O)(=O)CCC1NC(=O)NC1=O)C1=CC=CN=C1	REAL300008186502	0	42	-1.0	-49.74	347.37	-1.61	-51.35
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN=C2C=CC=CN12)C1=CC=CN=C1	REAL300008186503	0	40	-1.0	-60.03	329.78	4.60	-55.43
CC(CC(=O)[O-])(NS(=O)(=O)C1CCC(F)(F)CC1)C1=CC=CN=C1	REAL300008186504	0	43	-1.0	-58.42	338.77	5.06	-53.36
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C1=CC=CN=C1	REAL300008186505	0	39	-1.0	-57.08	334.56	3.80	-53.28
CC(CC(=O)[O-])(NS(=O)(=O)CCOC1CCOC1)C1=CC=CN=C1	REAL300008186506	0	45	-1.0	-47.40	359.19	1.80	-45.60
CC(CC(=O)[O-])(NS(=O)(=O)CC1COCCO1)C1=CC=CN=C1	REAL300008186507	0	42	-1.0	-48.10	327.49	1.46	-46.64
CC(CC(=O)[O-])(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C1=CC=CN=C1	REAL300008186508	0	54	-1.0	-48.57	379.63	7.42	-41.15
CC(CC(=O)[O-])(NS(=O)(=O)CCN1C=NN=N1)C1=CC=CN=C1	REAL300008186509	0	38	-1.0	-52.42	318.60	2.43	-49.99
CC(CC(=O)[O-])(NS(=O)(=O)CC1CC(C)(C)CO1)C1=CC=CN=C1	REAL300008186510	0	47	-1.0	-47.13	364.49	3.63	-43.50
CC(CC(=O)[O-])(NS(=O)(=O)CC1CS(=O)(=O)C1)C1=CC=CN=C1	REAL300008186511	0	40	-1.0	-52.39	330.08	-0.21	-52.60
CC(C)(CS(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1)C(C)(F)F	REAL300008186512	0	45	-1.0	-50.41	341.62	4.99	-45.42
CC(CC(=O)[O-])(NS(=O)(=O)CCCCS(C)(=O)=O)C1=CC=CN=C1	REAL300008186513	0	45	-1.0	-58.38	374.87	1.42	-56.96
CC(CC(=O)[O-])(NS(=O)(=O)CC1CCC(C)(C)CO1)C1=CC=CN=C1	REAL300008186514	0	50	-1.0	-49.93	377.23	5.12	-44.81
CC(CC(=O)[O-])(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C1=CC=CN=C1	REAL300008186515	0	47	-1.0	-46.75	374.32	6.86	-39.89
CC(CC(=O)[O-])(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C1=CC=CN=C1	REAL300008186516	0	41	-1.0	-50.05	351.75	3.60	-46.45
CC(CC(=O)[O-])(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C1=CC=CN=C1	REAL300008186517	0	46	-1.0	-47.39	358.23	1.84	-45.55
COCCC1(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)CC1	REAL300008186518	0	44	-1.0	-54.51	340.51	3.60	-50.91
CCN1N=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=N1	REAL300008186519	0	39	-1.0	-46.33	318.67	1.60	-44.73
CCN1N=CC(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2=CC=CN=C2)=N1	REAL300008186519	1	38	-2.0	-120.36	329.77	1.47	-118.89
CC(CC(=O)[O-])(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C1=CC=CN=C1	REAL300008186520	0	50	-1.0	-47.42	371.67	6.57	-40.85
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=C(C2CC2)S1)C1=CC=CN=C1	REAL300008186521	0	41	-1.0	-46.92	346.67	5.79	-41.13
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1	REAL300008186522	0	48	-1.0	-47.86	379.55	5.41	-42.45
CC1=COC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186523	0	37	-1.0	-46.06	308.49	3.35	-42.71
COC1=CSC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1OC	REAL300008186524	0	42	-1.0	-58.60	352.78	2.92	-55.68
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186525	0	43	-1.0	-48.12	340.40	4.27	-43.85
CN1C=CC2=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)=CC=C21	REAL300008186526	0	44	-1.0	-59.55	358.59	6.16	-53.39
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186527	0	43	-1.0	-63.00	338.07	6.22	-56.78
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186528	0	48	-1.0	-59.04	386.73	5.88	-53.16
CCN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(C2CC2)=N1	REAL300008186529	0	47	-1.0	-57.39	381.76	5.05	-52.34
CC1=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C2=NSN=C2C=C1	REAL300008186530	0	41	-1.0	-61.99	338.99	3.71	-58.28
CC(CC(=O)[O-])(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C1=CC=CN=C1	REAL300008186531	0	36	-1.0	-57.75	332.28	2.91	-54.84
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186532	0	50	-1.0	-46.12	381.58	5.28	-40.84
CC(CC(=O)[O-])(NS(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CN=C1	REAL300008186533	0	34	-1.0	-44.84	299.93	2.84	-42.00
CC(CC(=O)[O-])([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CN=C1	REAL300008186533	1	33	-2.0	-119.69	307.79	3.12	-116.57
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC(Cl)=CS1)C1=CC=CN=C1	REAL300008186534	0	34	-1.0	-55.06	311.48	3.84	-51.22
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186535	0	45	-1.0	-47.27	348.07	2.10	-45.17
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=CC=C1C1CC1)C1=CC=CN=C1	REAL300008186536	0	44	-1.0	-55.29	344.42	6.45	-48.84
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186537	0	40	-1.0	-45.28	345.75	2.02	-43.26
COC1=NC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=C1C	REAL300008186538	0	43	-1.0	-54.05	350.41	1.56	-52.49
CC(C)CN1C=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=N1	REAL300008186539	0	46	-1.0	-56.86	365.88	4.30	-52.56
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186540	0	46	-1.0	-55.74	368.89	4.02	-51.72
COCC1=CC(CS(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=NO1	REAL300008186541	0	43	-1.0	-54.15	358.15	2.45	-51.70
CC(C)N1N=CC=C1S(=O)(=O)NC(C)(CC(=O)[O-])C1=CC=CN=C1	REAL300008186542	0	43	-1.0	-45.05	335.34	3.30	-41.75
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=NN1CC1CC1)C1=CC=CN=C1	REAL300008186543	0	44	-1.0	-45.04	344.72	4.43	-40.61
CC(CC(=O)[O-])(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C1=CC=CN=C1	REAL300008186544	0	44	-1.0	-57.82	357.23	5.38	-52.44
CC1=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C=NN1C(C)C	REAL300008186545	0	46	-1.0	-52.78	365.24	3.92	-48.86
CC1=CC=C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C2=NC=CC=C12	REAL300008186546	0	45	-1.0	-64.92	363.93	5.59	-59.33
CC(CC(=O)[O-])(NS(=O)(=O)C1=CNC2=CC=CC=C12)C1=CC=CN=C1	REAL300008186547	0	41	-1.0	-51.13	334.44	4.23	-46.90
CC(CC(=O)[O-])(NS(=O)(=O)C1=CN=CS1)C1=CC=CN=C1	REAL300008186548	0	33	-1.0	-56.57	289.29	1.45	-55.12
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=C1	REAL300008186549	0	50	-1.0	-60.81	393.86	6.25	-54.56
CC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186550	0	39	-1.0	-54.15	308.62	4.04	-50.11
CCC(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186551	0	46	-1.0	-45.79	345.83	6.21	-39.58
CC(C)C(C)(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300008186552	0	31	-1.0	-37.30	276.48	3.30	-34.00
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186553	0	41	-1.0	-46.81	320.84	3.93	-42.88
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186554	0	37	-1.0	-39.79	307.31	5.12	-34.67
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008186555	0	38	-1.0	-40.14	315.50	4.17	-35.97
CC(C)C(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008186556	0	40	-1.0	-52.47	327.83	1.14	-51.33
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008186557	0	38	-1.0	-50.81	313.36	3.88	-46.93
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1OC	REAL300008186558	0	45	-1.0	-58.50	343.55	4.11	-54.39
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186559	0	37	-1.0	-38.23	301.87	4.99	-33.24
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186560	0	40	-1.0	-55.46	294.65	2.41	-53.05
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008186561	0	50	-1.0	-41.39	367.20	7.43	-33.96
CC(C)C(C)(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008186562	0	40	-1.0	-44.51	310.37	2.75	-41.76
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008186563	0	34	-1.0	-39.96	288.33	4.52	-35.44
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008186564	0	34	-1.0	-36.66	283.43	4.30	-32.36
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186565	0	39	-1.0	-44.26	296.81	5.78	-38.48
CC(C)C(C)(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008186566	0	40	-1.0	-39.67	330.00	5.73	-33.94
CC(C)C(C)(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008186567	0	44	-1.0	-67.54	352.94	0.64	-66.90
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186568	0	45	-1.0	-43.28	348.38	5.44	-37.84
CC1=CC(F)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186569	0	37	-1.0	-39.43	288.48	4.34	-35.09
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008186570	0	40	-1.0	-45.45	312.10	4.11	-41.34
COCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186571	0	41	-1.0	-46.77	322.21	3.35	-43.42
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=N1	REAL300008186572	0	40	-1.0	-40.39	314.81	1.17	-39.22
CC(C)C(C)(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008186573	0	43	-1.0	-58.37	352.22	1.82	-56.55
CC(C)C(C)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008186574	0	39	-1.0	-61.72	318.61	-0.17	-61.89
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=C1C	REAL300008186575	0	44	-1.0	-43.09	330.36	4.40	-38.69
CC(C)C(C)(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008186576	0	39	-1.0	-42.39	328.44	4.22	-38.17
CC(C)C(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008186577	0	37	-1.0	-38.52	313.03	5.05	-33.47
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008186578	0	39	-1.0	-47.36	308.12	3.99	-43.37
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300008186579	0	43	-1.0	-50.20	342.89	4.93	-45.27
CCN1N=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1C	REAL300008186580	0	43	-1.0	-52.24	327.96	3.76	-48.48
CC(C)N1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=N1	REAL300008186581	0	40	-1.0	-46.14	314.89	2.66	-43.48
CC(C)CN1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186582	0	43	-1.0	-59.04	334.41	5.81	-53.23
CC(C)N1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186583	0	40	-1.0	-58.69	315.31	4.94	-53.75
CC(C)C1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CN1	REAL300008186584	0	40	-1.0	-63.56	312.88	3.05	-60.51
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008186585	0	46	-1.0	-58.60	321.05	6.67	-51.93
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008186586	0	42	-1.0	-56.38	333.17	3.01	-53.37
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1OC	REAL300008186587	0	42	-1.0	-43.85	347.53	3.66	-40.19
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1Br	REAL300008186588	0	37	-1.0	-40.46	306.19	4.81	-35.65
CC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186589	0	37	-1.0	-39.85	286.97	4.52	-35.33
CC(C)C(C)(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008186590	0	40	-1.0	-54.05	324.66	6.73	-47.32
CC(C)C(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008186591	0	39	-1.0	-35.14	323.37	5.79	-29.35
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008186592	0	38	-1.0	-42.11	312.27	3.34	-38.77
CC(C)C(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008186593	0	41	-1.0	-43.80	336.33	4.78	-39.02
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186594	0	49	-1.0	-56.74	361.10	4.84	-51.90
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008186595	0	37	-1.0	-45.95	299.32	4.49	-41.46
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186596	0	45	-1.0	-50.53	354.50	2.99	-47.54
CC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C=C1	REAL300008189001	0	46	-1.0	-44.30	357.02	6.52	-37.78
CC1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)=C1	REAL300008189002	0	47	-1.0	-56.35	363.00	8.06	-48.29
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C=C1C	REAL300008189003	0	47	-1.0	-42.68	354.43	7.38	-35.30
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C(C)=C1	REAL300008189004	0	47	-1.0	-55.92	363.00	8.06	-47.86
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C=C1[N+](=O)[O-]	REAL300008189005	0	47	-1.0	-46.60	373.54	6.90	-39.70
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C=C1	REAL300008189006	0	53	-1.0	-42.31	394.22	8.48	-33.83
CC(C)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C=C1	REAL300008189007	0	50	-1.0	-42.03	378.24	8.10	-33.93
CCCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C=C1	REAL300008189008	0	50	-1.0	-41.46	380.99	8.35	-33.11
COC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CCCCC1	REAL300008189009	0	45	-1.0	-45.78	346.63	5.99	-39.79
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=CC=C1)C1CCCCC1	REAL300008189010	0	44	-1.0	-43.36	340.73	6.81	-36.55
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C1CCCCC1	REAL300008189011	0	45	-1.0	-38.65	362.57	5.92	-32.73
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C(C)=C1C	REAL300008189012	0	56	-1.0	-43.86	386.73	8.92	-34.94
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1CCCCC1	REAL300008189013	0	50	-1.0	-46.37	379.13	6.06	-40.31
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CCCCC1	REAL300008189014	0	57	-1.0	-46.76	422.73	8.31	-38.45
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C=C1[N+](=O)[O-]	REAL300008189015	0	46	-1.0	-44.28	362.82	7.46	-36.82
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CCCCC1	REAL300008189016	0	59	-1.0	-42.30	418.19	9.93	-32.37
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C1CCCCC1	REAL300008189017	0	44	-1.0	-38.51	356.76	7.16	-31.35
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1CCCCC1	REAL300008189018	0	51	-1.0	-43.26	380.75	8.65	-34.61
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)=C1	REAL300008189019	0	49	-1.0	-47.89	376.03	5.28	-42.61
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C=C1OC	REAL300008189020	0	49	-1.0	-44.47	375.10	5.34	-39.13
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C1CCCCC1	REAL300008189021	0	48	-1.0	-43.48	363.51	8.07	-35.41
CC1=NOC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CCCCC1	REAL300008189022	0	43	-1.0	-41.84	331.38	4.91	-36.93
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1CCCCC1	REAL300008189023	0	49	-1.0	-43.40	371.81	8.45	-34.95
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O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008189423	0	36	-1.0	-60.21	308.30	6.36	-53.85
COCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189424	0	37	-1.0	-55.50	312.86	5.09	-50.41
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300008189425	0	36	-1.0	-49.92	306.45	2.99	-46.93
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189426	0	39	-1.0	-67.85	342.82	3.56	-64.29
CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189427	0	35	-1.0	-69.96	311.12	1.91	-68.05
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1C	REAL300008189428	0	40	-1.0	-53.77	306.25	5.65	-48.12
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008189429	0	35	-1.0	-57.38	313.18	5.90	-51.48
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008189430	0	33	-1.0	-52.25	304.64	6.87	-45.38
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008189431	0	35	-1.0	-59.99	303.73	6.27	-53.72
CN(C1CCOCC1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189432	0	39	-1.0	-60.21	312.13	3.86	-56.35
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008189433	0	39	-1.0	-59.23	325.28	6.24	-52.99
CCN1N=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1C	REAL300008189434	0	39	-1.0	-57.46	321.72	5.71	-51.75
CC(C)CN1C=NC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189435	0	39	-1.0	-55.28	321.70	6.64	-48.64
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189436	0	42	-1.0	-64.78	317.21	8.51	-56.27
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008189437	0	43	-1.0	-57.77	354.73	7.87	-49.90
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189438	0	38	-1.0	-77.01	328.65	5.27	-71.74
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300008189439	0	38	-1.0	-57.88	326.98	5.33	-52.55
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300008189440	0	33	-1.0	-56.89	302.27	7.04	-49.85
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008189441	0	36	-1.0	-52.87	305.91	7.70	-45.17
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008189442	0	35	-1.0	-44.32	306.31	7.36	-36.96
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008189443	0	34	-1.0	-60.12	308.24	5.49	-54.63
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008189444	0	37	-1.0	-53.39	319.45	6.89	-46.50
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189445	0	45	-1.0	-60.97	356.15	6.87	-54.10
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008189446	0	33	-1.0	-53.58	289.97	6.22	-47.36
COCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189447	0	41	-1.0	-58.10	335.58	4.94	-53.16
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1CC1	REAL300008190001	0	35	-1.0	-53.77	303.61	5.67	-48.10
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190002	0	43	-1.0	-59.37	344.82	3.65	-55.72
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCC(Cl)=C(Cl)C3)=C2C=C1	REAL300008200001	0	33	-1.0	-43.96	323.43	7.16	-36.80
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(Cl)=C(Cl)C1	REAL300008200002	0	30	-1.0	-53.18	294.03	5.22	-47.96
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(Cl)=C(Cl)C1	REAL300008200003	0	35	-1.0	-44.01	297.23	5.50	-38.51
O=C([O-])C1=CC(S(=O)(=O)N2CCC(Cl)=C(Cl)C2)=NN1	REAL300008200004	0	27	-1.0	-42.04	280.31	2.16	-39.88
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(Cl)=C(Cl)C1	REAL300008200005	0	32	-1.0	-56.14	298.61	4.71	-51.43
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(Cl)=C(Cl)C1	REAL300008200006	0	27	-1.0	-46.57	270.01	2.82	-43.75
O=C([O-])C1=C(S(=O)(=O)N2CCC(Cl)=C(Cl)C2)C=C(Cl)S1	REAL300008200007	0	27	-1.0	-52.68	299.31	6.20	-46.48
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC(Cl)=C(Cl)C1	REAL300008200008	0	30	-1.0	-53.18	277.21	5.57	-47.61
CC1=CC(S(=O)(=O)N2CCC(Cl)=C(Cl)C2)=CN=C1C(=O)[O-]	REAL300008200009	0	32	-1.0	-50.25	309.21	4.65	-45.60
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC(Cl)=C(Cl)C1	REAL300008200010	0	33	-1.0	-58.62	310.33	7.37	-51.25
CCOC1=CC=C(S(=O)(=O)N2CCC(Cl)=C(Cl)C2)C=C1C(=O)[O-]	REAL300008200011	0	37	-1.0	-56.52	346.48	6.83	-49.69
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCC(Cl)=C(Cl)C3)C=C2C1	REAL300008200012	0	37	-1.0	-47.11	340.92	7.76	-39.35
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC(Cl)=C(Cl)C1	REAL300008200013	0	29	-1.0	-55.74	284.65	5.24	-50.50
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCC(Cl)=C(Cl)C3)C=C2C=C1	REAL300008200014	0	35	-1.0	-55.76	338.55	6.29	-49.47
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1	REAL300008200015	0	43	-1.0	-54.55	336.32	6.55	-48.00
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1OC	REAL300008200016	0	38	-1.0	-43.44	308.71	4.64	-38.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1C	REAL300008200017	0	34	-1.0	-37.30	292.88	5.03	-32.27
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008200018	0	35	-1.0	-41.74	303.31	4.48	-37.26
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008200019	0	37	-1.0	-59.75	318.76	1.50	-58.25
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008200020	0	35	-1.0	-51.33	303.73	3.79	-47.54
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300008200021	0	42	-1.0	-42.45	330.30	3.62	-38.83
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300008200022	0	34	-1.0	-37.84	288.39	4.93	-32.91
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008200023	0	47	-1.0	-54.28	359.92	7.79	-46.49
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008200024	0	37	-1.0	-55.16	302.82	3.18	-51.98
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300008200025	0	31	-1.0	-40.50	274.63	4.42	-36.08
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008200026	0	31	-1.0	-52.54	279.36	4.59	-47.95
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300008200027	0	36	-1.0	-60.18	288.28	5.96	-54.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008200028	0	37	-1.0	-55.51	319.77	6.11	-49.40
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008200029	0	41	-1.0	-67.24	341.92	0.59	-66.65
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300008200030	0	42	-1.0	-54.03	340.67	5.83	-48.20
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008200031	0	37	-1.0	-54.88	302.11	4.44	-50.44
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(COC)C=C1	REAL300008200032	0	38	-1.0	-55.79	312.80	3.71	-52.08
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=N1	REAL300008200033	0	37	-1.0	-52.10	307.06	1.53	-50.57
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008200034	0	40	-1.0	-68.29	342.69	2.17	-66.12
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300008200035	0	36	-1.0	-71.38	306.95	0.10	-71.28
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300008200036	0	41	-1.0	-42.39	318.89	4.29	-38.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008200037	0	36	-1.0	-42.72	316.27	4.64	-38.08
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008200038	0	34	-1.0	-56.30	303.03	5.43	-50.87
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008200039	0	36	-1.0	-56.43	298.61	4.36	-52.07
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1	REAL300008200040	0	48	-1.0	-59.80	395.56	3.14	-56.66
CC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300008200041	0	41	-1.0	-37.62	318.45	-0.45	-38.07
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300008200042	0	40	-1.0	-48.12	329.02	4.94	-43.18
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300008200043	0	40	-1.0	-55.35	314.51	3.58	-51.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300008200044	0	40	-1.0	-60.15	319.14	6.37	-53.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008200045	0	43	-1.0	-42.91	314.73	6.17	-36.74
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008200046	0	44	-1.0	-49.50	362.62	6.58	-42.92
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008200047	0	39	-1.0	-62.27	323.99	3.42	-58.85
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300008200048	0	37	-1.0	-52.87	323.34	5.07	-47.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300008200049	0	39	-1.0	-42.26	330.09	3.48	-38.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC	REAL300008200050	0	39	-1.0	-42.13	336.92	3.93	-38.20
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300008200051	0	34	-1.0	-52.76	297.23	5.18	-47.58
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008200052	0	37	-1.0	-41.54	313.80	6.41	-35.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008200053	0	36	-1.0	-39.02	308.45	5.75	-33.27
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008200054	0	35	-1.0	-54.31	303.20	3.64	-50.67
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008200055	0	38	-1.0	-55.05	312.74	5.73	-49.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300008200056	0	46	-1.0	-52.84	347.69	4.64	-48.20
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008200057	0	34	-1.0	-53.82	290.24	4.85	-48.97
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300008200058	0	42	-1.0	-45.83	342.04	3.66	-42.17
C=C(C)COC1=CC=CC(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])=C1	REAL300008208001	0	49	-1.0	-61.22	385.12	6.48	-54.74
CCN1C=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])C(C2CC2)=N1	REAL300008208002	0	48	-1.0	-56.88	377.37	5.99	-50.89
CC1=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300008208003	0	42	-1.0	-51.96	331.28	4.35	-47.61
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008208004	0	44	-1.0	-56.84	364.43	7.66	-49.18
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008208005	0	37	-1.0	-59.12	328.81	3.12	-56.00
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])=C1	REAL300008208006	0	51	-1.0	-44.82	383.64	5.87	-38.95
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=C(Cl)OC=C1	REAL300008208007	0	35	-1.0	-56.15	286.07	3.05	-53.10
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC(Cl)=CS1	REAL300008208008	0	35	-1.0	-41.66	307.29	4.75	-36.91
COCCC1=CC=C(OC)C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])=C1	REAL300008208009	0	52	-1.0	-64.25	387.74	5.03	-59.22
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008208010	0	44	-1.0	-46.50	351.36	7.94	-38.56
CN1N=C2CCOCC2=C1S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208011	0	46	-1.0	-52.98	349.68	2.50	-50.48
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008208012	0	45	-1.0	-63.79	347.25	7.50	-56.29
CC1(C)CCN(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])CC1	REAL300008208013	0	49	-1.0	-57.63	347.54	5.03	-52.60
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008208014	0	53	-1.0	-44.95	398.76	5.42	-39.53
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208015	0	41	-1.0	-42.94	336.27	3.46	-39.48
COC1=NC=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])C=C1C	REAL300008208016	0	44	-1.0	-54.83	349.09	2.24	-52.59
CC(C)CN1C=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])C=N1	REAL300008208017	0	47	-1.0	-58.26	364.84	4.97	-53.29
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208018	0	47	-1.0	-47.59	356.90	4.74	-42.85
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008208019	0	48	-1.0	-61.75	356.07	3.24	-58.51
COCC1=CC(CS(=O)(=O)NC2CCCCC2(C)C(=O)[O-])=NO1	REAL300008208020	0	44	-1.0	-67.50	353.75	3.05	-64.45
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])N=C1	REAL300008208021	0	49	-1.0	-61.37	368.33	6.42	-54.95
CC(C)N1N=CC=C1S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208022	0	44	-1.0	-52.32	336.07	4.14	-48.18
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300008208023	0	45	-1.0	-44.71	346.68	5.47	-39.24
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008208024	0	45	-1.0	-54.58	356.94	6.27	-48.31
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008208025	0	40	-1.0	-60.55	332.76	3.96	-56.59
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300008208026	0	43	-1.0	-48.75	332.54	5.50	-43.25
CC1=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])C=NN1C(C)C	REAL300008208027	0	47	-1.0	-43.57	361.00	4.50	-39.07
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008208028	0	43	-1.0	-53.92	334.23	5.88	-48.04
CC1=CN=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])C(C)=C1	REAL300008208029	0	43	-1.0	-62.58	333.94	4.72	-57.86
CC1=CN=CC=C1S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208030	0	40	-1.0	-56.26	313.25	3.98	-52.28
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)N1CC=C(Br)CC1	REAL300008208031	0	41	-1.0	-56.24	329.56	5.03	-51.21
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208032	0	46	-1.0	-48.88	348.00	1.18	-47.70
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)N1CC2CCC(C1)O2	REAL300008208033	0	45	-1.0	-57.32	333.38	3.37	-53.95
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)N1CCC(C#N)CC1	REAL300008208034	0	44	-1.0	-60.53	333.40	4.44	-56.09
COC1=CC=NC(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])=C1	REAL300008208035	0	41	-1.0	-60.94	327.33	2.26	-58.68
C=CCN(CC=C)S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208036	0	44	-1.0	-41.59	337.73	5.08	-36.51
COC1=CC=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])C(C(F)F)=C1	REAL300008208037	0	45	-1.0	-45.67	341.99	5.52	-40.15
COC1=CC=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])N=C1	REAL300008208038	0	41	-1.0	-60.87	328.10	2.32	-58.55
CC1=CC=CN=C1S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208039	0	40	-1.0	-60.19	308.44	3.62	-56.57
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208040	0	44	-1.0	-41.98	358.39	3.92	-38.06
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008208041	0	43	-1.0	-59.03	338.85	5.79	-53.24
CCOC1=CC=CN=C1S(=O)(=O)NC1CCCCC1(C)C(=O)[O-]	REAL300008208042	0	44	-1.0	-68.16	347.46	4.27	-63.89
CC1=CC=C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])C2=NC=CC=C12	REAL300008208043	0	46	-1.0	-51.44	351.22	6.71	-44.73
CC1=CC(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])=CC=N1	REAL300008208044	0	40	-1.0	-44.60	314.56	4.03	-40.57
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008208045	0	42	-1.0	-49.10	327.65	5.05	-44.05
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)N1CCC(F)(F)C1	REAL300008208046	0	40	-1.0	-56.08	314.15	3.74	-52.34
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CN=CS1	REAL300008208047	0	34	-1.0	-44.20	285.25	2.36	-41.84
CC1(C(=O)[O-])CCCCC1NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008208048	0	40	-1.0	-48.38	331.26	4.08	-44.30
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2CCCCC2(C)C(=O)[O-])=C1	REAL300008208049	0	51	-1.0	-63.46	392.13	6.92	-56.54
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008208050	0	41	-1.0	-54.37	356.88	8.22	-46.15
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008208051	0	41	-1.0	-55.31	356.90	8.21	-47.10
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008208052	0	44	-1.0	-56.80	369.67	8.97	-47.83
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008208053	0	45	-1.0	-54.37	380.20	8.01	-46.36
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008208054	0	44	-1.0	-56.19	377.56	8.93	-47.26
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008208055	0	38	-1.0	-56.74	348.69	8.20	-48.54
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008208056	0	41	-1.0	-55.31	356.90	8.21	-47.10
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008208057	0	41	-1.0	-54.37	356.88	8.22	-46.15
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008208058	0	41	-1.0	-78.46	351.48	9.65	-68.81
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008208059	0	39	-1.0	-53.65	345.83	5.83	-47.82
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008208060	0	41	-1.0	-55.26	363.89	6.33	-48.93
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008208061	0	38	-1.0	-46.89	351.07	7.48	-39.41
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008208062	0	38	-1.0	-49.49	329.66	5.54	-43.95
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008208063	0	46	-1.0	-44.91	373.92	7.45	-37.46
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008208064	0	46	-1.0	-48.37	378.51	7.63	-40.74
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008208065	0	41	-1.0	-78.46	351.48	9.65	-68.81
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008208066	0	38	-1.0	-47.03	347.49	6.90	-40.13
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008208067	0	41	-1.0	-55.39	362.79	7.32	-48.07
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)CCCC(=O)[O-]	REAL300008208068	0	40	-1.0	-56.05	346.18	7.24	-48.81
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008208069	0	43	-1.0	-38.89	347.16	6.66	-32.23
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008208070	0	44	-1.0	-56.27	382.80	9.26	-47.01
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008208071	0	46	-1.0	-48.37	378.51	7.63	-40.74
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008208072	0	44	-1.0	-65.76	384.08	9.32	-56.44
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008208073	0	38	-1.0	-47.03	347.49	6.90	-40.13
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008208074	0	45	-1.0	-52.37	387.97	8.50	-43.87
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)CCCC(=O)[O-]	REAL300008208075	0	40	-1.0	-56.05	346.18	7.24	-48.81
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008208076	0	38	-1.0	-50.81	352.04	7.39	-43.42
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008208077	0	47	-1.0	-63.85	383.74	9.36	-54.49
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008208078	0	44	-1.0	-77.78	377.98	9.47	-68.31
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008208079	0	38	-1.0	-59.78	348.70	7.25	-52.53
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008208080	0	44	-1.0	-46.97	359.92	8.48	-38.49
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008208081	0	44	-1.0	-53.08	379.07	8.99	-44.09
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008208082	0	38	-1.0	-47.67	342.68	6.75	-40.92
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008208083	0	44	-1.0	-54.60	379.07	8.98	-45.62
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008208084	0	41	-1.0	-52.30	355.47	7.63	-44.67
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008208085	0	40	-1.0	-47.17	355.08	6.69	-40.48
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008208086	0	37	-1.0	-63.14	337.92	6.55	-56.59
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008208087	0	37	-1.0	-56.56	334.33	5.76	-50.80
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008208088	0	40	-1.0	-80.78	347.34	7.87	-72.91
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008208089	0	46	-1.0	-55.46	389.18	8.81	-46.65
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008208090	0	40	-1.0	-57.53	354.66	6.38	-51.15
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008208091	0	45	-1.0	-60.64	384.19	8.28	-52.36
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008208092	0	44	-1.0	-53.95	372.18	8.73	-45.22
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)N(C)CCC(=O)[O-]	REAL300008208093	0	42	-1.0	-52.34	358.33	6.76	-45.58
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008208094	0	41	-1.0	-47.79	349.48	8.26	-39.53
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008208095	0	44	-1.0	-56.27	382.80	9.26	-47.01
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008208096	0	45	-1.0	-54.37	380.20	8.01	-46.36
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008208097	0	44	-1.0	-56.19	377.56	8.93	-47.26
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008208098	0	44	-1.0	-56.80	369.67	8.97	-47.83
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008208099	0	44	-1.0	-46.32	367.33	8.54	-37.78
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008208100	0	44	-1.0	-54.60	379.07	8.98	-45.62
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300008208101	0	44	-1.0	-57.98	373.87	7.98	-50.00
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008208102	0	43	-1.0	-55.99	370.29	6.97	-49.02
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008208103	0	45	-1.0	-47.44	381.10	8.50	-38.94
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008208104	0	45	-1.0	-53.99	377.73	8.12	-45.87
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008208105	0	41	-1.0	-49.74	343.45	6.57	-43.17
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008208106	0	41	-1.0	-60.56	362.53	7.44	-53.12
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008208107	0	38	-1.0	-50.70	330.74	7.33	-43.37
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008208108	0	41	-1.0	-43.24	328.15	6.85	-36.39
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300008208109	0	45	-1.0	-70.07	382.11	8.78	-61.29
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008208110	0	38	-1.0	-49.49	329.66	5.54	-43.95
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008208111	0	41	-1.0	-49.74	343.45	6.57	-43.17
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008208112	0	40	-1.0	-45.13	354.21	6.45	-38.68
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008208113	0	44	-1.0	-51.22	372.55	9.64	-41.58
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008208114	0	38	-1.0	-52.74	359.45	7.14	-45.60
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300008208115	0	45	-1.0	-79.32	380.88	8.95	-70.37
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008208116	0	40	-1.0	-56.63	353.68	6.52	-50.11
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008208117	0	38	-1.0	-41.97	345.26	4.86	-37.11
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008208118	0	41	-1.0	-54.04	354.99	6.29	-47.75
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008208119	0	41	-1.0	-56.08	350.02	7.66	-48.42
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008208120	0	44	-1.0	-52.83	359.05	7.71	-45.12
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008208121	0	41	-1.0	-50.94	368.94	8.05	-42.89
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008208122	0	44	-1.0	-57.10	377.20	9.66	-47.44
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008208123	0	41	-1.0	-52.52	357.64	7.80	-44.72
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008208124	0	46	-1.0	-53.18	359.12	8.04	-45.14
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008208125	0	38	-1.0	-41.97	345.26	4.86	-37.11
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008208126	0	43	-1.0	-46.65	350.84	7.05	-39.60
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008208127	0	38	-1.0	-49.49	329.66	5.54	-43.95
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008208128	0	41	-1.0	-55.79	336.23	8.15	-47.64
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008208129	0	43	-1.0	-55.68	371.88	7.01	-48.67
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008208130	0	44	-1.0	-57.10	377.20	9.66	-47.44
CCCN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008208131	0	40	-1.0	-46.37	343.25	6.90	-39.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208132	0	39	-1.0	-53.64	323.20	5.35	-48.29
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208133	0	40	-1.0	-60.58	341.33	5.47	-55.11
CC1=CC=C(S(=O)(=O)N(C)CCOC2CC2)C=C1C(=O)[O-]	REAL300008208134	0	39	-1.0	-58.18	336.57	6.39	-51.79
CN(CCOC1CC1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008208135	0	33	-1.0	-57.86	301.07	4.53	-53.33
CN(CCOC1CC1)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008208136	0	36	-1.0	-52.60	321.71	3.83	-48.77
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008208137	0	33	-1.0	-47.94	307.47	3.96	-43.98
CN(CCOC1CC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008208138	0	41	-1.0	-49.60	337.35	3.90	-45.70
CN(CCOC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008208139	0	41	-1.0	-49.45	336.09	4.88	-44.57
CN(CCOC1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008208140	0	36	-1.0	-66.44	325.48	7.22	-59.22
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CCOC2CC2)O1	REAL300008208141	0	36	-1.0	-49.70	322.59	3.62	-46.08
CN(CCOC1CC1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008208142	0	39	-1.0	-57.74	340.39	5.68	-52.06
CN(CCOC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008208143	0	41	-1.0	-49.45	336.09	4.88	-44.57
CN(CCOC1CC1)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008208144	0	39	-1.0	-58.89	342.75	5.53	-53.36
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008208145	0	40	-1.0	-48.65	350.51	5.08	-43.57
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208146	0	40	-1.0	-50.79	356.29	5.91	-44.88
CN(CCOC1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008208147	0	33	-1.0	-50.46	312.53	3.83	-46.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CCOC2CC2)=C1C	REAL300008208148	0	42	-1.0	-49.89	343.85	6.03	-43.86
CC1=CC=CC(S(=O)(=O)N(C)CCOC2CC2)=C1C(=O)[O-]	REAL300008208149	0	39	-1.0	-66.88	332.50	5.85	-61.03
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CCOC2CC2)=C1	REAL300008208150	0	43	-1.0	-52.96	374.54	4.51	-48.45
CN(CCOC1CC1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008208151	0	33	-1.0	-54.86	308.14	4.78	-50.08
CN(CCOC1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008208152	0	39	-1.0	-64.06	347.45	7.70	-56.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208153	0	39	-1.0	-47.97	321.87	5.16	-42.81
CN(CCOC1CC1)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008208154	0	39	-1.0	-51.28	333.31	6.76	-44.52
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008208155	0	39	-1.0	-48.40	337.03	5.61	-42.79
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CCOC2CC2)C=C1[N+](=O)[O-]	REAL300008208156	0	41	-1.0	-42.60	359.71	6.02	-36.58
CN(CCOC1CC1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008208157	0	39	-1.0	-53.15	341.61	5.57	-47.58
CC1=C(S(=O)(=O)N(C)CCOC2CC2)C=C(C(=O)[O-])O1	REAL300008208158	0	36	-1.0	-58.53	314.14	4.71	-53.82
CN(CCOC1CC1)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008208159	0	35	-1.0	-48.10	314.61	2.99	-45.11
CN(CCOC1CC1)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008208160	0	32	-1.0	-54.64	289.72	3.31	-51.33
CN(CCOC1CC1)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008208161	0	32	-1.0	-61.14	292.91	3.25	-57.89
CN(CCOC1CC1)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008208162	0	35	-1.0	-78.33	306.07	4.85	-73.48
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008208163	0	35	-1.0	-50.91	310.75	3.02	-47.89
CN(CCOC1CC1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008208164	0	36	-1.0	-47.65	336.17	5.30	-42.35
CN(CCOC1CC1)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008208165	0	36	-1.0	-47.63	340.73	5.41	-42.22
COC1=CC=C(S(=O)(=O)N(C)CCOC2CC2)C=C1C(=O)[O-]	REAL300008208166	0	40	-1.0	-62.83	343.78	5.81	-57.02
CC1=CC(S(=O)(=O)N(C)CCOC2CC2)=CC=C1C(=O)[O-]	REAL300008208167	0	39	-1.0	-51.74	332.50	6.29	-45.45
CN(CCOC1CC1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008208168	0	41	-1.0	-53.35	347.63	5.32	-48.03
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CCOC2CC2)=C1	REAL300008208169	0	43	-1.0	-52.96	374.54	4.51	-48.45
CN(CCOC1CC1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008208170	0	36	-1.0	-47.65	336.17	5.30	-42.35
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208171	0	36	-1.0	-47.75	303.39	4.87	-42.88
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208172	0	39	-1.0	-48.66	337.01	5.77	-42.89
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N(C)CCOC3CC3)C=C21	REAL300008208173	0	42	-1.0	-54.34	363.44	7.08	-47.26
CN(CCOC1CC1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008208174	0	39	-1.0	-57.74	340.39	5.68	-52.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208175	0	40	-1.0	-60.58	341.33	5.47	-55.11
CC1=CC=C(S(=O)(=O)N(C)CCOC2CC2)C=C1C(=O)[O-]	REAL300008208176	0	39	-1.0	-58.18	336.57	6.39	-51.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208177	0	39	-1.0	-53.64	323.20	5.35	-48.29
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208178	0	40	-1.0	-42.79	346.07	4.72	-38.07
CN(CCOC1CC1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008208179	0	39	-1.0	-53.15	341.61	5.57	-47.58
COC1=C(S(=O)(=O)N(C)CCOC2CC2)SC(C(=O)[O-])=C1	REAL300008208180	0	37	-1.0	-47.45	341.94	3.34	-44.11
CC1=C(Br)C=C(S(=O)(=O)N(C)CCOC2CC2)C=C1C(=O)[O-]	REAL300008208181	0	39	-1.0	-47.08	357.43	5.95	-41.13
CN(CCOC1CC1)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008208182	0	41	-1.0	-50.51	356.26	5.46	-45.05
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008208183	0	39	-1.0	-50.66	346.61	6.56	-44.10
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008208184	0	43	-1.0	-53.83	365.50	6.68	-47.15
CCC1=C(S(=O)(=O)N(C)CCOC2CC2)C=C(C(=O)[O-])O1	REAL300008208185	0	39	-1.0	-51.36	326.18	4.56	-46.80
CN(CCOC1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008208186	0	38	-1.0	-68.06	335.52	7.40	-60.66
CN(CCOC1CC1)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008208187	0	39	-1.0	-54.06	354.30	7.25	-46.81
CN(CCOC1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008208188	0	38	-1.0	-58.88	336.98	7.37	-51.51
CC1=NC=C(S(=O)(=O)N(C)CCOC2CC2)C=C1C(=O)[O-]	REAL300008208189	0	38	-1.0	-44.83	330.90	3.50	-41.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208190	0	40	-1.0	-52.71	340.59	5.60	-47.11
COC1=CC(S(=O)(=O)N(C)CCOC2CC2)=CC=C1C(=O)[O-]	REAL300008208191	0	40	-1.0	-57.50	343.76	5.82	-51.68
COC1=CC=C(S(=O)(=O)N(C)CCOC2CC2)C(CC(=O)[O-])=C1	REAL300008208192	0	43	-1.0	-61.74	358.24	5.24	-56.50
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008208193	0	39	-1.0	-54.86	344.12	6.57	-48.29
CN(CCOC1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008208194	0	39	-1.0	-45.24	358.18	5.79	-39.45
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008208195	0	45	-1.0	-48.71	368.02	6.47	-42.24
CN(CCOC1CC1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008208196	0	36	-1.0	-48.59	306.02	2.98	-45.61
CN(CCOC1CC1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008208197	0	42	-1.0	-51.19	351.07	7.13	-44.06
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)CCOC2CC2)=C1	REAL300008208198	0	36	-1.0	-49.08	322.02	3.75	-45.33
CN(CCOC1CC1)S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008208199	0	36	-1.0	-66.28	330.05	7.32	-58.96
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008208200	0	36	-1.0	-54.91	329.00	6.14	-48.77
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)CCOC2CC2)=C1	REAL300008208201	0	40	-1.0	-71.18	338.13	6.01	-65.17
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N(C)CCOC2CC2)=C1OC	REAL300008208202	0	48	-1.0	-49.88	404.83	5.99	-43.89
CN(CCOC1CC1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008208203	0	36	-1.0	-48.59	306.02	2.98	-45.61
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008208204	0	38	-2.0	-139.86	343.35	6.71	-133.15
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208205	0	43	-1.0	-47.46	357.72	4.74	-42.72
CN(CCOC1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008208206	0	35	-1.0	-52.63	312.71	3.87	-48.76
CN(CCOC1CC1)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008208207	0	39	-1.0	-58.85	323.53	6.16	-52.69
CN(CCOC1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008208208	0	33	-1.0	-45.72	315.05	3.50	-42.22
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008208209	0	42	-1.0	-55.17	346.12	7.48	-47.69
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCOC1CC1	REAL300008208210	0	43	-1.0	-60.21	363.20	6.40	-53.81
COC1=CC=C(S(=O)(=O)N(C)CCOC2CC2)C(C(=O)[O-])=C1	REAL300008208211	0	40	-1.0	-75.38	336.77	6.02	-69.36
CN(CCOC1CC1)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008208212	0	35	-1.0	-58.90	312.56	3.97	-54.93
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210001	0	53	0.0	-83.63	405.43	7.04	-76.59
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008210002	0	43	-1.0	-48.37	351.44	6.48	-41.89
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210003	0	42	-1.0	-43.04	354.73	5.63	-37.41
CC1=CC=C(CS(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(F)=C1	REAL300008210004	0	41	-1.0	-61.23	335.46	6.99	-54.24
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300008210005	0	47	0.0	-81.45	366.63	7.70	-73.75
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008210006	0	35	-1.0	-38.43	316.31	5.41	-33.02
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008210007	0	48	-1.0	-43.13	372.32	8.63	-34.50
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008210008	0	46	-1.0	-61.30	366.86	6.29	-55.01
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008210009	0	44	-1.0	-65.71	349.87	2.99	-62.72
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008210010	0	38	-1.0	-52.60	321.39	6.03	-46.57
CC1=C(CCS(=O)(=O)N2CCCC2C(C)C(=O)[O-])SC=N1	REAL300008210011	0	40	-1.0	-42.78	331.54	4.52	-38.26
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300008210012	0	45	-1.0	-52.94	337.50	7.20	-45.74
COC1=CC=C2C=C(S(=O)(=O)N3CCCC3C(C)C(=O)[O-])CCC2=C1	REAL300008210013	0	47	-1.0	-51.72	372.75	7.48	-44.24
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CCC1CCOC1	REAL300008210014	0	42	-1.0	-52.03	326.76	4.08	-47.95
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008210015	0	46	-1.0	-57.27	356.46	2.59	-54.68
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300008210016	0	44	-1.0	-46.60	338.06	6.61	-39.99
CC(C(=O)[O-])C1CCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008210017	0	42	-1.0	-52.41	332.80	7.38	-45.03
CCC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008210018	0	43	-1.0	-48.17	345.32	7.26	-40.91
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008210019	0	35	-1.0	-49.23	305.89	6.34	-42.89
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008210020	0	35	-1.0	-49.08	310.45	6.44	-42.64
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008210021	0	37	-1.0	-49.19	317.38	6.49	-42.70
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008210022	0	41	-1.0	-46.96	328.54	7.48	-39.48
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008210023	0	37	-1.0	-49.05	318.00	6.50	-42.55
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210024	0	40	-1.0	-57.69	325.05	7.04	-50.65
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210025	0	39	-1.0	-51.18	318.65	5.12	-46.06
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008210026	0	37	-1.0	-48.19	294.15	6.13	-42.06
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210027	0	42	-1.0	-50.88	340.50	6.04	-44.84
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1C	REAL300008210028	0	47	-1.0	-50.57	347.59	8.36	-42.21
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=C1	REAL300008210029	0	44	-1.0	-65.85	338.98	8.88	-56.97
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210030	0	50	-1.0	-53.01	373.03	8.69	-44.32
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008210031	0	38	-1.0	-53.59	328.49	6.83	-46.76
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC=C1	REAL300008210032	0	39	-1.0	-48.10	319.59	6.65	-41.45
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008210033	0	38	-1.0	-41.78	305.38	6.44	-35.34
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008210034	0	35	-1.0	-48.97	305.76	6.29	-42.68
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210035	0	40	-1.0	-51.56	331.91	6.31	-45.25
CC1=CC=C(C)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210036	0	41	-1.0	-52.36	317.45	6.96	-45.40
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C	REAL300008210037	0	41	-1.0	-52.50	328.19	7.03	-45.47
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=C1	REAL300008210038	0	41	-1.0	-43.05	316.55	6.37	-36.68
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008210039	0	41	-1.0	-50.45	344.54	6.52	-43.93
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008210040	0	47	-1.0	-51.42	365.36	8.14	-43.28
CC(C)C1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210041	0	44	-1.0	-52.13	348.50	7.72	-44.41
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300008210042	0	46	-1.0	-54.99	383.35	3.84	-51.15
CCCC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210043	0	44	-1.0	-51.54	353.55	8.04	-43.50
COC1=CC=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210044	0	39	-1.0	-45.97	312.64	5.18	-40.79
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1Br	REAL300008210045	0	39	-1.0	-49.31	338.95	5.74	-43.57
CC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CC=C1Br	REAL300008210046	0	38	-1.0	-49.15	329.26	7.01	-42.14
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC3C(C)C(=O)[O-])C=C2)=C1	REAL300008210047	0	49	-1.0	-50.98	399.36	9.34	-41.64
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008210048	0	39	-1.0	-50.42	334.25	5.58	-44.84
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=C1C	REAL300008210049	0	50	-1.0	-51.33	360.65	8.87	-42.46
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008210050	0	44	-1.0	-50.95	351.87	5.72	-45.23
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210051	0	51	-1.0	-54.63	389.24	8.02	-46.61
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008210052	0	40	-1.0	-58.65	334.35	7.05	-51.60
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210053	0	39	-1.0	-43.86	333.99	5.80	-38.06
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210054	0	53	-1.0	-63.98	393.25	10.57	-53.41
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008210055	0	38	-1.0	-49.65	327.00	6.79	-42.86
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008210056	0	45	-1.0	-51.66	352.48	8.32	-43.34
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210057	0	43	-1.0	-47.40	340.82	4.59	-42.81
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1OC	REAL300008210058	0	43	-1.0	-51.79	347.77	4.98	-46.81
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008210059	0	42	-1.0	-51.81	334.58	7.68	-44.13
CC1=NOC(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210060	0	37	-1.0	-51.46	298.35	4.74	-46.72
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008210061	0	43	-1.0	-51.79	343.29	8.18	-43.61
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008210062	0	40	-1.0	-55.27	321.13	5.42	-49.85
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210063	0	50	-1.0	-51.54	392.61	9.33	-42.21
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1OCC	REAL300008210064	0	49	-1.0	-51.33	391.47	6.82	-44.51
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008210065	0	40	-1.0	-56.66	342.84	0.76	-55.90
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1C	REAL300008210066	0	43	-1.0	-41.24	335.49	7.00	-34.24
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCCCCC1	REAL300008210067	0	43	-1.0	-69.81	321.60	6.61	-63.20
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC3C(C)C(=O)[O-])=C2N=C1	REAL300008210068	0	43	-1.0	-50.40	344.42	6.95	-43.45
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008210069	0	41	-1.0	-42.92	327.14	6.08	-36.84
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210070	0	39	-1.0	-42.72	328.09	5.85	-36.87
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008210071	0	40	-1.0	-56.35	343.22	0.73	-55.62
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300008210072	0	43	-1.0	-59.05	352.02	7.15	-51.90
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008210073	0	44	-1.0	-43.75	338.65	6.63	-37.12
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=CC=CN=C12	REAL300008210074	0	43	-1.0	-47.57	334.62	6.33	-41.24
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C	REAL300008210075	0	43	-1.0	-49.20	331.77	7.40	-41.80
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCC(C)CC1	REAL300008210076	0	43	-1.0	-50.35	326.80	5.44	-44.91
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008210077	0	46	-1.0	-53.55	384.63	3.77	-49.78
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008210078	0	47	-1.0	-55.92	370.09	4.77	-51.15
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008210079	0	41	-1.0	-62.30	349.72	3.29	-59.01
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008210080	0	45	-1.0	-43.66	346.85	8.68	-34.98
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CC(C)CC(C)C1	REAL300008210081	0	46	-1.0	-50.53	339.80	6.25	-44.28
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008210082	0	41	-1.0	-53.80	324.68	7.95	-45.85
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008210083	0	45	-1.0	-52.36	362.98	9.24	-43.12
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210084	0	38	-1.0	-53.05	302.43	6.36	-46.69
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008210085	0	49	-1.0	-47.31	375.09	7.15	-40.16
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008210086	0	36	-1.0	-46.76	309.96	3.79	-42.97
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210087	0	39	-1.0	-43.93	329.43	5.69	-38.24
COC1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210088	0	39	-1.0	-55.42	318.53	5.07	-50.35
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210089	0	50	-1.0	-52.11	378.70	8.58	-43.53
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1Cl	REAL300008210090	0	38	-1.0	-52.48	324.50	6.89	-45.59
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210091	0	45	-1.0	-50.64	358.40	6.68	-43.96
CCC1=CC=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210092	0	41	-1.0	-44.10	309.71	6.85	-37.25
CC1=NC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CN1C	REAL300008210093	0	38	-1.0	-56.13	313.45	4.72	-51.41
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008210094	0	36	-1.0	-50.24	305.11	4.69	-45.55
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008210095	0	40	-1.0	-38.35	335.15	7.80	-30.55
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008210096	0	40	-1.0	-50.99	324.32	6.21	-44.78
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210097	0	41	-1.0	-42.40	340.92	5.85	-36.55
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1F	REAL300008210098	0	39	-1.0	-49.53	324.76	5.15	-44.38
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1F	REAL300008210099	0	38	-1.0	-53.32	316.50	6.54	-46.78
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCCCC1C	REAL300008210100	0	43	-1.0	-49.34	315.10	5.65	-43.69
CCCN(CCC)S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210101	0	45	-1.0	-50.99	349.56	6.27	-44.72
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=CC=CC=C12	REAL300008210102	0	51	-1.0	-52.79	393.10	8.91	-43.88
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008210103	0	38	-1.0	-50.56	343.59	7.51	-43.05
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=CC=CC=C12	REAL300008210104	0	45	-1.0	-53.36	353.13	7.32	-46.04
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210105	0	40	-1.0	-39.70	321.22	6.48	-33.22
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210106	0	40	-1.0	-48.43	319.41	6.87	-41.56
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210107	0	43	-1.0	-51.70	350.63	8.32	-43.38
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210108	0	47	-1.0	-52.24	369.41	8.48	-43.76
COCCC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210109	0	45	-1.0	-52.56	364.84	6.30	-46.26
COCCN(CCOC)S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210110	0	47	-1.0	-50.38	366.49	3.18	-47.20
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210111	0	38	-1.0	-52.17	312.77	6.82	-45.35
COC1=C(C)C=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C	REAL300008210112	0	45	-1.0	-50.88	363.33	6.73	-44.15
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210113	0	51	-1.0	-50.43	401.07	8.15	-42.28
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008210114	0	49	-1.0	-51.18	382.79	7.94	-43.24
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210115	0	48	-1.0	-51.25	381.22	7.51	-43.74
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210116	0	45	-1.0	-50.57	362.00	6.84	-43.73
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1Cl	REAL300008210117	0	39	-1.0	-49.34	334.56	5.63	-43.71
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008210118	0	39	-1.0	-50.88	345.05	5.96	-44.92
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C	REAL300008210119	0	42	-1.0	-51.15	339.34	5.87	-45.28
CC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CC=C1OC(C)C	REAL300008210120	0	48	-1.0	-50.19	379.24	7.49	-42.70
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=C1	REAL300008210121	0	42	-1.0	-43.86	324.57	5.01	-38.85
COCCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210122	0	46	-1.0	-52.73	374.13	5.31	-47.42
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300008210123	0	38	-1.0	-61.44	314.05	6.31	-55.13
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210124	0	38	-1.0	-40.03	316.45	6.32	-33.71
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1C	REAL300008210125	0	43	-1.0	-51.31	326.65	7.52	-43.79
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210126	0	44	-1.0	-59.00	357.53	3.89	-55.11
CC1=NC(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])S1	REAL300008210127	0	37	-1.0	-37.55	291.31	3.69	-33.86
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008210128	0	38	-1.0	-51.10	320.99	7.09	-44.01
COC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CC=C1F	REAL300008210129	0	39	-1.0	-49.33	324.75	5.15	-44.18
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008210130	0	45	-1.0	-52.21	363.97	9.24	-42.97
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008210131	0	38	-1.0	-50.38	345.80	7.55	-42.83
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3C(C)C(=O)[O-])S2)=CS1	REAL300008210132	0	41	-1.0	-47.37	363.16	5.81	-41.56
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008210133	0	55	-1.0	-50.39	423.73	9.44	-40.95
CNC(=O)C1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CN1C	REAL300008210134	0	43	-1.0	-53.05	352.67	3.46	-49.59
COC1=CC(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=C1	REAL300008210135	0	45	-1.0	-64.50	347.00	7.51	-56.99
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008210136	0	46	-1.0	-56.69	369.47	9.87	-46.82
COC1=CC(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C	REAL300008210137	0	45	-1.0	-52.69	346.33	6.40	-46.29
CC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008210138	0	43	-1.0	-48.13	326.04	6.19	-41.94
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008210139	0	40	-1.0	-52.89	318.60	6.14	-46.75
CCN1C=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008210140	0	40	-1.0	-51.32	329.33	5.78	-45.54
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008210141	0	42	-1.0	-51.55	360.07	6.51	-45.04
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008210142	0	49	-1.0	-51.91	400.41	9.11	-42.80
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210143	0	43	-1.0	-55.56	352.11	7.04	-48.52
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008210144	0	45	-1.0	-51.00	376.39	7.45	-43.55
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008210145	0	38	-1.0	-71.48	311.63	4.90	-66.58
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210146	0	57	-1.0	-51.98	426.71	8.82	-43.16
CC1=CC=CC(CS(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210147	0	41	-1.0	-52.58	333.74	7.21	-45.37
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008210148	0	43	-1.0	-59.62	362.43	2.50	-57.12
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300008210149	0	38	-1.0	-54.05	318.75	6.61	-47.44
CC1=CC=CC=C1CS(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210150	0	41	-1.0	-60.42	323.03	7.12	-53.30
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=CC=CC=C12	REAL300008210151	0	48	-1.0	-48.76	371.82	7.58	-41.18
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210152	0	45	-1.0	-46.74	355.89	6.77	-39.97
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008210153	0	40	-1.0	-67.98	337.31	5.95	-62.03
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008210154	0	42	-1.0	-54.78	350.34	6.96	-47.82
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210155	0	49	-1.0	-53.35	395.10	6.25	-47.10
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210156	0	51	-1.0	-50.46	405.00	8.41	-42.05
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008210157	0	45	-1.0	-51.89	340.16	8.29	-43.60
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008210158	0	39	-1.0	-51.23	344.65	7.24	-43.99
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300008210159	0	40	-1.0	-55.56	321.23	5.05	-50.51
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008210160	0	43	-1.0	-62.17	350.83	6.85	-55.32
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008210161	0	40	-1.0	-52.43	337.06	6.01	-46.42
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=C1	REAL300008210162	0	45	-1.0	-43.62	344.19	6.03	-37.59
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008210163	0	39	-1.0	-46.74	322.44	5.44	-41.30
CSC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210164	0	39	-1.0	-50.63	329.35	6.84	-43.79
CCCCCCCS(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210165	0	46	-1.0	-41.01	354.90	6.94	-34.07
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008210166	0	41	-1.0	-54.43	351.06	7.54	-46.89
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210167	0	46	-1.0	-40.03	347.50	6.92	-33.11
CCN1C=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])N=C1C	REAL300008210168	0	41	-1.0	-55.85	335.54	5.62	-50.23
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008210169	0	41	-1.0	-53.76	329.48	5.55	-48.21
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008210170	0	40	-1.0	-52.50	319.84	6.07	-46.43
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1CCCCO1	REAL300008210171	0	42	-1.0	-43.80	321.43	4.66	-39.14
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C(F)(F)F	REAL300008210172	0	41	-1.0	-53.57	344.20	7.35	-46.22
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008210173	0	41	-1.0	-51.02	362.27	6.49	-44.53
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008210174	0	44	-1.0	-51.02	353.84	7.38	-43.64
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC3C(C)C(=O)[O-])C=C12	REAL300008210175	0	43	-1.0	-53.92	351.53	5.29	-48.63
COCC1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210176	0	42	-1.0	-51.87	344.10	5.49	-46.38
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008210177	0	46	-1.0	-54.37	365.78	7.20	-47.17
CCN1C=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=N1	REAL300008210178	0	38	-1.0	-56.68	311.34	4.33	-52.35
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008210179	0	38	-1.0	-59.46	322.21	6.72	-52.74
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N(C)C(C)C1CC1	REAL300008210180	0	43	-1.0	-55.31	326.81	5.50	-49.81
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008210181	0	43	-1.0	-49.02	338.52	5.29	-43.73
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008210182	0	38	-1.0	-53.87	339.38	7.51	-46.36
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300008210183	0	43	-1.0	-55.10	342.15	6.17	-48.93
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210184	0	47	-1.0	-40.79	326.30	7.82	-32.97
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210185	0	47	-1.0	-56.92	371.33	4.55	-52.37
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008210186	0	41	-1.0	-52.14	355.87	6.42	-45.72
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3C(C)C(=O)[O-])C=C2)=CO1	REAL300008210187	0	44	-1.0	-54.47	364.99	4.87	-49.60
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008210188	0	38	-1.0	-49.17	317.46	4.28	-44.89
CC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C(C)O1	REAL300008210189	0	38	-1.0	-53.34	308.82	5.35	-47.99
CC1=CSC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210190	0	35	-1.0	-42.50	297.33	5.07	-37.43
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008210191	0	38	-1.0	-56.22	315.03	6.15	-50.07
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008210192	0	38	-1.0	-53.67	315.08	4.43	-49.24
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=N1	REAL300008210193	0	38	-1.0	-52.59	312.38	2.25	-50.34
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN=C2CCCN12	REAL300008210194	0	39	-1.0	-52.28	317.01	5.22	-47.06
CC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])SC=C1	REAL300008210195	0	35	-1.0	-56.44	290.85	5.40	-51.04
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008210196	0	43	-1.0	-51.67	343.47	6.46	-45.21
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC3C(C)C(=O)[O-])C=N2)C=C1	REAL300008210197	0	45	-1.0	-55.36	367.18	7.36	-48.00
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300008210198	0	43	-1.0	-48.99	363.56	6.95	-42.04
CC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008210199	0	40	-1.0	-48.51	333.74	7.05	-41.46
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=N1	REAL300008210200	0	46	-1.0	-54.42	377.51	6.59	-47.83
CC1=NN(C)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210201	0	38	-1.0	-51.54	306.59	4.06	-47.48
CC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])N(C)N=C1	REAL300008210202	0	38	-1.0	-52.32	301.63	4.19	-48.13
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008210203	0	37	-1.0	-54.57	317.24	5.24	-49.33
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300008210204	0	43	-1.0	-54.06	338.98	6.12	-47.94
CC1=CC2=CC=C(S(=O)(=O)N3CCCC3C(C)C(=O)[O-])C=C2C=C1	REAL300008210205	0	44	-1.0	-47.16	349.89	8.14	-39.02
COC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])SC=C1	REAL300008210206	0	36	-1.0	-45.27	301.21	4.44	-40.83
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300008210207	0	43	-1.0	-53.84	342.29	6.25	-47.59
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008210208	0	40	-1.0	-48.37	322.69	5.18	-43.19
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008210209	0	40	-1.0	-64.14	332.09	5.61	-58.53
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008210210	0	40	-1.0	-57.05	321.01	5.41	-51.64
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008210211	0	41	-1.0	-40.81	344.30	7.30	-33.51
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008210212	0	47	-1.0	-52.10	364.14	6.44	-45.66
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008210213	0	37	-1.0	-50.86	325.28	5.15	-45.71
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210214	0	43	-1.0	-65.61	338.01	6.11	-59.50
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210215	0	43	-1.0	-43.45	336.72	6.88	-36.57
CC1=CC=C(C)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300008210216	0	43	-1.0	-46.06	330.94	8.20	-37.86
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008210217	0	43	-1.0	-58.43	341.52	7.52	-50.91
COC1=CC=C(CCS(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210218	0	45	-1.0	-43.44	357.08	6.09	-37.35
COC1=CN=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210219	0	38	-1.0	-51.23	314.27	3.30	-47.93
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300008210220	0	44	-1.0	-49.96	362.04	7.43	-42.53
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008210221	0	42	-1.0	-42.73	327.06	7.18	-35.55
COC1=CC(OC)=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210222	0	43	-1.0	-56.85	344.19	4.16	-52.69
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CCC1CCCCC1	REAL300008210223	0	47	-1.0	-50.23	354.39	7.56	-42.67
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-])OCO2	REAL300008210224	0	41	-1.0	-42.60	315.97	4.45	-38.15
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008210225	0	38	-1.0	-48.43	313.59	5.82	-42.61
COC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CC=C1Cl	REAL300008210226	0	39	-1.0	-49.19	334.56	5.63	-43.56
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CCC1CCCC1	REAL300008210227	0	44	-1.0	-41.50	332.26	6.39	-35.11
CC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008210228	0	43	-1.0	-66.57	333.27	7.24	-59.33
CCC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1CC	REAL300008210229	0	47	-1.0	-51.62	366.75	8.39	-43.23
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210230	0	43	-1.0	-46.13	339.41	7.97	-38.16
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210231	0	45	-1.0	-56.56	346.08	7.23	-49.33
CC1=C(C)SC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210232	0	38	-1.0	-43.75	316.74	5.62	-38.13
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008210233	0	36	-1.0	-48.93	305.88	3.78	-45.15
CC1=NC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])S1	REAL300008210234	0	34	-1.0	-50.97	297.57	3.61	-47.36
CCC1=NC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])S1	REAL300008210235	0	37	-1.0	-50.55	319.06	4.37	-46.18
CC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(N)=NO1	REAL300008210236	0	36	-1.0	-46.43	295.24	3.13	-43.30
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300008210237	0	42	-1.0	-56.50	334.02	5.57	-50.93
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])S1	REAL300008210238	0	38	-1.0	-49.96	316.57	6.22	-43.74
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008210239	0	41	-1.0	-55.22	328.66	7.48	-47.74
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008210240	0	38	-1.0	-45.77	313.34	3.99	-41.78
CC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CC(C)=C1F	REAL300008210241	0	41	-1.0	-48.91	336.78	7.17	-41.74
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008210242	0	42	-1.0	-60.67	345.80	5.58	-55.09
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008210243	0	37	-1.0	-54.59	318.88	5.52	-49.07
COC(CS(=O)(=O)N1CCCC1C(C)C(=O)[O-])C1CC1	REAL300008210244	0	42	-1.0	-54.40	333.52	5.25	-49.15
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008210245	0	38	-1.0	-40.90	322.80	6.52	-34.38
CC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CC=C1Cl	REAL300008210246	0	38	-1.0	-49.10	325.23	6.93	-42.17
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008210247	0	41	-1.0	-63.21	337.13	6.76	-56.45
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC3C(C)C(=O)[O-])C=C2)=N1	REAL300008210248	0	44	-1.0	-53.12	375.03	7.30	-45.82
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008210249	0	43	-1.0	-47.15	336.20	6.56	-40.59
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008210250	0	42	-1.0	-61.83	350.29	3.43	-58.40
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008210251	0	44	-1.0	-49.58	344.71	5.84	-43.74
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008210252	0	38	-1.0	-58.65	328.57	6.99	-51.66
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210253	0	48	-1.0	-52.00	380.12	7.52	-44.48
COC(CS(=O)(=O)N1CCCC1C(C)C(=O)[O-])C1CCCC1	REAL300008210254	0	48	-1.0	-51.23	360.36	5.56	-45.67
COC(CS(=O)(=O)N1CCCC1C(C)C(=O)[O-])C1CCCCC1	REAL300008210255	0	51	-1.0	-51.23	375.21	6.20	-45.03
CCOC(CS(=O)(=O)N1CCCC1C(C)C(=O)[O-])C1CC1	REAL300008210256	0	45	-1.0	-55.36	357.57	5.97	-49.39
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C(C)C	REAL300008210257	0	54	-1.0	-50.26	421.23	8.88	-41.38
CCC1=NC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CN1CC1CC1	REAL300008210258	0	48	-1.0	-54.19	387.73	7.74	-46.45
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008210259	0	38	-1.0	-50.62	329.49	5.34	-45.28
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008210260	0	43	-1.0	-48.50	345.25	7.93	-40.57
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300008210261	0	42	-1.0	-51.93	329.49	5.37	-46.56
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008210262	0	48	-1.0	-43.39	385.46	7.50	-35.89
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300008210263	0	38	-1.0	-48.29	329.20	4.42	-43.87
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008210264	0	46	-1.0	-54.60	390.16	9.96	-44.64
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008210265	0	45	-1.0	-55.14	349.72	9.10	-46.04
CCC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C(C)C=C1OC	REAL300008210266	0	48	-1.0	-52.69	367.06	7.08	-45.61
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008210267	0	37	-1.0	-62.26	318.12	4.70	-57.56
CC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008210268	0	44	-1.0	-46.27	330.88	7.94	-38.33
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=N1	REAL300008210269	0	44	-1.0	-50.73	358.20	4.33	-46.40
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210270	0	39	-1.0	-47.57	318.19	5.44	-42.13
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C(C)C	REAL300008210271	0	51	-1.0	-50.62	398.99	8.02	-42.60
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008210272	0	47	-1.0	-52.71	367.92	8.08	-44.63
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008210273	0	54	-1.0	-44.03	407.93	9.81	-34.22
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008210274	0	45	-1.0	-49.68	347.19	5.91	-43.77
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008210275	0	47	-1.0	-53.67	360.83	6.26	-47.41
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008210276	0	45	-1.0	-49.82	357.88	6.23	-43.59
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008210277	0	38	-1.0	-50.35	312.36	4.41	-45.94
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210278	0	42	-1.0	-61.90	343.33	5.89	-56.01
C=CCCC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210279	0	45	-1.0	-52.13	365.47	8.57	-43.56
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210280	0	41	-1.0	-41.87	323.44	4.26	-37.61
CCCCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C(C)C	REAL300008210281	0	57	-1.0	-51.78	441.99	9.60	-42.18
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008210282	0	39	-1.0	-42.67	333.94	7.08	-35.59
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C(C)(C)C	REAL300008210283	0	57	-1.0	-52.12	433.79	9.55	-42.57
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1CC	REAL300008210284	0	51	-1.0	-50.51	403.57	8.29	-42.22
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210285	0	41	-1.0	-60.84	334.29	8.72	-52.12
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210286	0	41	-1.0	-58.21	345.71	7.47	-50.74
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008210287	0	39	-1.0	-45.67	333.83	7.08	-38.59
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210288	0	44	-1.0	-43.45	321.08	7.39	-36.06
COC1=NC=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210289	0	38	-1.0	-51.89	312.65	3.18	-48.71
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210290	0	51	-1.0	-56.99	401.93	8.50	-48.49
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008210291	0	40	-1.0	-52.78	319.80	6.13	-46.65
CC1=NC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])N1C	REAL300008210292	0	38	-1.0	-54.35	308.93	4.88	-49.47
CC1=CSC(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210293	0	38	-1.0	-50.55	309.32	6.37	-44.18
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008210294	0	42	-1.0	-55.05	335.12	5.25	-49.80
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300008210295	0	42	-1.0	-43.09	326.86	5.10	-37.99
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008210296	0	45	-1.0	-45.82	346.43	6.03	-39.79
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008210297	0	46	-1.0	-55.06	364.57	3.93	-51.13
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008210298	0	41	-1.0	-51.63	356.60	6.74	-44.89
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300008210299	0	42	-1.0	-54.82	326.48	5.68	-49.14
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C	REAL300008210300	0	51	-1.0	-44.45	377.80	6.94	-37.51
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210301	0	45	-1.0	-43.96	357.43	6.91	-37.05
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300008210302	0	43	-1.0	-46.93	342.53	6.10	-40.83
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300008210303	0	43	-1.0	-45.94	352.58	5.04	-40.90
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008210304	0	41	-1.0	-59.72	335.58	6.22	-53.50
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210305	0	40	-1.0	-55.54	323.75	5.33	-50.21
CCN1N=NC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210306	0	37	-1.0	-50.07	301.16	2.74	-47.33
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008210307	0	44	-1.0	-51.76	333.14	5.69	-46.07
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008210308	0	36	-1.0	-39.82	297.64	3.97	-35.85
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008210309	0	38	-1.0	-46.55	322.41	6.84	-39.71
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300008210310	0	42	-1.0	-44.45	334.06	4.94	-39.51
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=C1F	REAL300008210311	0	44	-1.0	-53.75	332.87	7.74	-46.01
COC1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1OC	REAL300008210312	0	43	-1.0	-50.60	341.78	5.29	-45.31
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300008210313	0	38	-1.0	-51.73	316.59	6.06	-45.67
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300008210314	0	48	-1.0	-51.38	370.80	6.58	-44.80
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210315	0	47	-1.0	-56.39	360.82	6.15	-50.24
CCCCN1C=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=N1	REAL300008210316	0	47	-1.0	-46.63	370.96	5.77	-40.86
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300008210317	0	42	-1.0	-57.09	334.32	5.24	-51.85
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008210318	0	39	-1.0	-54.21	328.40	5.40	-48.81
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300008210319	0	40	-1.0	-52.93	329.92	3.88	-49.05
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1Br	REAL300008210320	0	41	-1.0	-52.42	336.77	7.59	-44.83
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCCC(C)(C)C1	REAL300008210321	0	46	-1.0	-50.05	342.59	6.17	-43.88
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008210322	0	41	-1.0	-48.24	357.02	6.96	-41.28
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300008210323	0	45	-1.0	-51.76	354.13	6.09	-45.67
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210324	0	53	-1.0	-43.59	388.32	8.88	-34.71
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008210325	0	45	-1.0	-56.47	359.23	6.41	-50.06
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008210326	0	39	-1.0	-40.28	303.63	6.28	-34.00
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008210327	0	46	-1.0	-52.77	383.83	8.45	-44.32
COC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008210328	0	44	-1.0	-72.73	349.89	6.83	-65.90
CCCC1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210329	0	44	-1.0	-51.27	353.42	7.98	-43.29
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C2CCCC2=NN1C	REAL300008210330	0	42	-1.0	-53.27	328.60	5.02	-48.25
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300008210331	0	41	-1.0	-56.23	313.22	5.03	-51.20
CC1=CC=CC(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210332	0	41	-1.0	-39.90	304.41	6.55	-33.35
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300008210333	0	44	-1.0	-43.77	329.69	4.88	-38.89
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300008210334	0	44	-1.0	-56.03	349.78	5.48	-50.55
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300008210335	0	42	-1.0	-50.40	331.17	4.77	-45.63
CC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300008210336	0	40	-1.0	-50.64	340.37	5.64	-45.00
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008210337	0	38	-1.0	-39.63	328.39	6.49	-33.14
CC1=NN(C)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210338	0	38	-1.0	-49.58	309.97	4.04	-45.54
CC1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1C	REAL300008210339	0	41	-1.0	-52.16	312.98	6.84	-45.32
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210340	0	46	-1.0	-55.22	374.36	7.86	-47.36
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008210341	0	46	-1.0	-54.51	357.57	8.89	-45.62
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008210342	0	41	-1.0	-51.31	351.27	6.84	-44.47
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008210343	0	41	-1.0	-53.87	327.62	6.00	-47.87
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008210344	0	35	-1.0	-40.41	298.13	5.37	-35.04
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008210345	0	42	-1.0	-51.19	338.25	7.88	-43.31
COC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=CS1	REAL300008210346	0	36	-1.0	-43.66	307.78	3.98	-39.68
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008210347	0	45	-1.0	-49.22	353.59	6.39	-42.83
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210348	0	44	-1.0	-49.26	348.87	5.71	-43.55
CCC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])O1	REAL300008210349	0	38	-1.0	-50.34	315.10	5.38	-44.96
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N(C)C1CCCCCC1	REAL300008210350	0	49	-1.0	-38.80	345.23	6.04	-32.76
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300008210351	0	49	-1.0	-45.95	373.67	4.05	-41.90
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300008210352	0	41	-1.0	-50.93	342.26	7.30	-43.63
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008210353	0	39	-1.0	-51.69	329.03	5.41	-46.28
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008210354	0	50	-1.0	-50.93	386.33	8.52	-42.41
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])S1	REAL300008210355	0	36	-1.0	-43.36	307.53	3.86	-39.50
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=NC=CC=C12	REAL300008210356	0	46	-1.0	-66.29	351.36	7.95	-58.34
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008210357	0	43	-1.0	-50.83	343.36	5.75	-45.08
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300008210358	0	38	-1.0	-53.45	323.04	4.60	-48.85
CCOCC1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210359	0	45	-1.0	-51.79	365.96	6.46	-45.33
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300008210360	0	45	-1.0	-51.13	368.21	7.10	-44.03
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008210361	0	48	-1.0	-49.53	376.80	6.83	-42.70
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008210362	0	46	-1.0	-51.02	377.94	8.68	-42.34
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300008210363	0	38	-1.0	-41.77	301.27	5.88	-35.89
CC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CC(C)=C1Br	REAL300008210364	0	41	-1.0	-49.27	346.73	7.53	-41.74
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=CC=CC=C12	REAL300008210365	0	44	-1.0	-54.27	342.51	8.49	-45.78
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300008210366	0	45	-1.0	-49.11	360.33	6.70	-42.41
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008210367	0	39	-1.0	-51.92	327.20	7.12	-44.80
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008210368	0	39	-1.0	-42.57	338.50	7.18	-35.39
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008210369	0	39	-1.0	-50.45	341.99	7.57	-42.88
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008210370	0	40	-1.0	-67.71	328.84	-0.36	-68.07
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008210371	0	38	-1.0	-53.66	309.62	5.79	-47.87
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300008210372	0	41	-1.0	-51.06	316.21	5.76	-45.30
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008210373	0	37	-1.0	-51.37	319.98	5.17	-46.20
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CCOC1CCOC1	REAL300008210374	0	43	-1.0	-43.83	337.11	2.46	-41.37
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1COCCO1	REAL300008210375	0	40	-1.0	-53.62	315.29	2.82	-50.80
CC1=NC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008210376	0	44	-1.0	-57.70	357.48	4.53	-53.17
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008210377	0	52	-1.0	-52.55	364.04	8.42	-44.13
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1CC(C)(C)CO1	REAL300008210378	0	45	-1.0	-44.38	344.12	4.92	-39.46
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300008210379	0	38	-1.0	-58.04	319.34	1.57	-56.47
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300008210380	0	43	-1.0	-47.77	322.56	5.79	-41.98
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CCCCS(C)(=O)=O	REAL300008210381	0	43	-1.0	-55.01	354.05	2.15	-52.86
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1CCC(C)(C)CO1	REAL300008210382	0	48	-1.0	-42.94	358.84	5.57	-37.37
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008210383	0	45	-1.0	-40.57	353.18	7.59	-32.98
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008210384	0	39	-1.0	-65.15	332.97	4.78	-60.37
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008210385	0	45	-1.0	-55.19	371.44	8.74	-46.45
CC(C(=O)[O-])C1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008210386	0	44	-1.0	-44.08	336.23	3.28	-40.80
COCCC1(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])CC1	REAL300008210387	0	42	-1.0	-61.48	322.50	4.56	-56.92
CCN1N=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=N1	REAL300008210388	0	37	-1.0	-55.32	305.96	2.62	-52.70
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008210389	0	48	-1.0	-50.60	356.74	7.89	-42.71
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008210390	0	39	-1.0	-43.59	327.55	6.54	-37.05
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008210391	0	57	-1.0	-52.71	418.73	9.96	-42.75
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210392	0	46	-1.0	-52.05	365.43	6.90	-45.15
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210393	0	40	-1.0	-53.17	315.67	2.70	-50.47
CCC1=NNC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210394	0	38	-1.0	-42.59	299.01	3.14	-39.45
COC1=CSC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1OC	REAL300008210395	0	40	-1.0	-53.88	338.88	4.50	-49.38
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008210396	0	47	-1.0	-51.02	350.40	6.31	-44.71
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300008210397	0	46	-1.0	-55.43	364.56	7.52	-47.91
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008210398	0	39	-1.0	-56.68	337.65	6.58	-50.10
COC1=CC(F)=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(F)=C1	REAL300008210399	0	39	-1.0	-53.99	326.57	5.38	-48.61
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008210400	0	39	-1.0	-55.56	334.51	5.42	-50.14
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300008210401	0	41	-1.0	-53.93	326.43	5.56	-48.37
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300008210402	0	42	-1.0	-54.83	343.49	7.60	-47.23
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008210403	0	44	-1.0	-50.80	367.89	6.26	-44.54
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210404	0	48	-1.0	-54.77	381.89	8.26	-46.51
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008210405	0	46	-1.0	-55.69	378.32	8.71	-46.98
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300008210406	0	41	-1.0	-46.90	314.95	6.75	-40.15
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008210407	0	36	-1.0	-49.79	329.53	4.77	-45.02
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210408	0	46	-1.0	-51.58	372.68	7.40	-44.18
CCN1C=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C2CC2)=N1	REAL300008210409	0	45	-1.0	-56.85	355.86	6.10	-50.75
CC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300008210410	0	39	-1.0	-47.66	316.78	4.41	-43.25
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008210411	0	41	-1.0	-43.58	345.27	8.16	-35.42
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008210412	0	45	-1.0	-44.43	373.83	9.13	-35.30
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008210413	0	34	-1.0	-47.39	317.11	3.81	-43.58
CCC1=CC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=CC=C1Br	REAL300008210414	0	41	-1.0	-48.92	348.02	7.65	-41.27
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210415	0	48	-1.0	-49.62	375.75	6.98	-42.64
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C(Cl)OC=C1	REAL300008210416	0	32	-1.0	-49.09	283.26	4.27	-44.82
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300008210417	0	32	-1.0	-47.57	297.18	5.13	-42.44
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210418	0	49	-1.0	-46.19	387.83	5.82	-40.37
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008210419	0	41	-1.0	-46.43	339.15	7.86	-38.57
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=C2COCCC2=NN1C	REAL300008210420	0	43	-1.0	-48.28	338.30	3.55	-44.73
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008210421	0	42	-1.0	-52.48	321.94	7.62	-44.86
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCC(C)(C)CC1	REAL300008210422	0	46	-1.0	-49.69	343.23	5.97	-43.72
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008210423	0	50	-1.0	-52.48	390.70	6.18	-46.30
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210424	0	38	-1.0	-49.56	329.61	3.61	-45.95
COC1=NC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1C	REAL300008210425	0	41	-1.0	-49.25	337.08	3.25	-46.00
CC(C)CN1C=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=N1	REAL300008210426	0	44	-1.0	-54.61	356.43	5.89	-48.72
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210427	0	44	-1.0	-47.13	348.03	4.99	-42.14
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008210428	0	45	-1.0	-57.07	349.18	3.40	-53.67
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008210429	0	40	-1.0	-50.96	334.71	7.70	-43.26
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300008210430	0	46	-1.0	-57.24	357.60	5.95	-51.29
CC(C)N1N=CC=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210431	0	41	-1.0	-44.45	324.18	4.57	-39.88
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300008210432	0	42	-1.0	-48.84	333.74	5.63	-43.21
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008210433	0	42	-1.0	-50.19	330.45	5.94	-44.25
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008210434	0	37	-1.0	-56.43	313.40	4.49	-51.94
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300008210435	0	40	-1.0	-65.79	325.04	6.16	-59.63
CC1=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=NN1C(C)C	REAL300008210436	0	44	-1.0	-46.90	345.91	4.81	-42.09
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300008210437	0	49	-1.0	-51.07	398.02	9.39	-41.68
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008210438	0	40	-1.0	-58.60	326.33	6.19	-52.41
CC1=CN=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C)=C1	REAL300008210439	0	40	-1.0	-47.90	316.00	4.97	-42.93
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300008210440	0	38	-1.0	-49.47	321.80	5.60	-43.87
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300008210441	0	43	-1.0	-59.55	346.74	1.61	-57.94
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300008210442	0	42	-1.0	-55.73	308.43	3.43	-52.30
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCC(C#N)CC1	REAL300008210443	0	41	-1.0	-54.80	328.65	5.33	-49.47
COC1=CC=NC(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210444	0	38	-1.0	-58.77	310.85	3.17	-55.60
C=CCN(CC=C)S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210445	0	41	-1.0	-50.97	332.95	5.90	-45.07
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C(C(F)F)=C1	REAL300008210446	0	42	-1.0	-46.55	329.30	5.66	-40.89
COC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])N=C1	REAL300008210447	0	38	-1.0	-51.36	315.19	3.20	-48.16
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210448	0	41	-1.0	-49.80	351.99	4.11	-45.69
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008210449	0	40	-1.0	-46.99	315.59	5.52	-41.47
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC1C(C)C(=O)[O-]	REAL300008210450	0	41	-1.0	-57.80	334.60	5.10	-52.70
CC1=CC=C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])C2=NC=CC=C12	REAL300008210451	0	43	-1.0	-52.07	342.09	6.73	-45.34
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008210452	0	39	-1.0	-52.81	320.22	5.73	-47.08
CC(C(=O)[O-])C1CCCN1S(=O)(=O)N1CCC(F)(F)C1	REAL300008210453	0	37	-1.0	-50.81	305.81	4.29	-46.52
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008210454	0	37	-1.0	-59.05	313.54	4.55	-54.50
CC(C(=O)[O-])C1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008210455	0	42	-1.0	-50.59	358.82	6.71	-43.88
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCC2C(C)C(=O)[O-])=C1	REAL300008210456	0	48	-1.0	-45.95	370.34	7.44	-38.51
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C=C1	REAL300008210457	0	43	-1.0	-55.30	388.54	5.28	-50.02
O=C([O-])C1=CC=CC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300008210458	0	43	-1.0	-60.40	388.55	5.27	-55.13
O=C([O-])C1=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C=CS1	REAL300008210459	0	40	-1.0	-52.53	371.72	5.04	-47.49
O=C([O-])C1=CC=CC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300008210460	0	43	-1.0	-60.40	388.55	5.27	-55.13
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C=C1	REAL300008210461	0	43	-1.0	-55.30	388.54	5.28	-50.02
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210462	0	43	-1.0	-55.65	377.87	6.15	-49.50
O=C([O-])C1=CC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=CN1	REAL300008210463	0	41	-1.0	-55.05	377.07	3.00	-52.05
O=C([O-])CN1C=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C=N1	REAL300008210464	0	43	-1.0	-55.58	393.11	3.39	-52.19
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)S1	REAL300008210465	0	40	-1.0	-52.83	380.81	4.40	-48.43
O=C([O-])C1=CNN=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210466	0	40	-1.0	-57.34	364.66	2.31	-55.03
O=C([O-])C1CCCN(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C1	REAL300008210467	0	48	-1.0	-55.37	403.96	4.28	-51.09
O=C([O-])C1CCN(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300008210468	0	48	-1.0	-58.03	405.59	4.41	-53.62
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210469	0	43	-1.0	-55.65	377.87	6.15	-49.50
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)O1	REAL300008210470	0	40	-1.0	-53.46	373.31	3.63	-49.83
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)O1	REAL300008210471	0	43	-1.0	-55.86	391.54	4.11	-51.75
O=C([O-])CCCS(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210472	0	42	-1.0	-58.42	374.57	3.90	-54.52
O=C([O-])C1CCCN1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210473	0	45	-1.0	-61.60	388.35	4.41	-57.19
O=C([O-])C1CCN(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300008210474	0	48	-1.0	-58.03	405.59	4.41	-53.62
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)O1	REAL300008210475	0	40	-1.0	-53.46	373.31	3.63	-49.83
O=C([O-])CCCS(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210476	0	42	-1.0	-58.42	374.57	3.90	-54.52
O=C([O-])C1=CSC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300008210477	0	40	-1.0	-56.45	381.73	4.30	-52.15
O=C([O-])C1=CC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=CS1	REAL300008210478	0	40	-1.0	-54.94	380.20	4.30	-50.64
O=C([O-])C1=COC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300008210479	0	40	-1.0	-55.46	373.55	3.38	-52.08
CC1=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C=C(C(=O)[O-])O1	REAL300008210480	0	43	-1.0	-57.54	393.30	4.37	-53.17
O=C([O-])C1=CN=CC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300008210481	0	42	-1.0	-54.11	383.71	3.46	-50.65
O=C([O-])C1=NSC=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210482	0	39	-1.0	-56.82	366.06	3.52	-53.30
O=C([O-])C1=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)SC=N1	REAL300008210483	0	39	-1.0	-60.89	370.12	2.99	-57.90
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210484	0	42	-1.0	-59.24	374.75	4.35	-54.89
O=C([O-])CCCCCS(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210485	0	48	-1.0	-59.75	417.57	5.46	-54.29
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C=N1	REAL300008210486	0	42	-1.0	-56.90	384.41	3.48	-53.42
CN(CCC(=O)[O-])S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210487	0	44	-1.0	-55.62	387.71	3.49	-52.13
O=C([O-])CC1(CS(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300008210488	0	46	-1.0	-53.57	399.12	5.14	-48.43
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210489	0	43	-1.0	-51.97	380.53	3.61	-48.36
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300008210490	0	43	-1.0	-54.26	391.27	4.23	-50.03
O=C([O-])C1=C(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)OC=C1	REAL300008210491	0	40	-1.0	-59.16	365.76	4.13	-55.03
O=C([O-])C1(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)CCC1	REAL300008210492	0	43	-1.0	-48.98	373.36	4.48	-44.50
O=C([O-])C1=CNN=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210493	0	40	-1.0	-57.34	364.66	2.31	-55.03
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210494	0	43	-1.0	-51.97	380.53	3.61	-48.36
O=C([O-])C1=CC=NC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300008210495	0	42	-1.0	-54.04	384.77	3.38	-50.66
O=C([O-])C1=CC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=CC=N1	REAL300008210496	0	42	-1.0	-62.70	384.61	3.49	-59.21
O=C([O-])C1=CC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=NN1	REAL300008210497	0	40	-1.0	-48.84	372.03	1.51	-47.33
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210498	0	43	-1.0	-59.33	390.05	3.02	-56.31
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C1	REAL300008210499	0	43	-1.0	-60.39	378.54	4.42	-55.97
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)C1	REAL300008210500	0	46	-1.0	-61.49	395.60	4.99	-56.50
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210501	0	43	-1.0	-60.16	385.21	4.60	-55.56
O=C([O-])C1CCCCN1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210502	0	48	-1.0	-56.19	395.57	5.34	-50.85
O=C([O-])C1=CC(S(=O)(=O)NCCCC2=NC(C3=CC=CC=C3)=NO2)=NN1	REAL300008210503	0	40	-1.0	-48.84	372.03	1.51	-47.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210504	0	45	-1.0	-61.62	388.35	4.41	-57.21
O=C([O-])C1=CNN=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210505	0	40	-1.0	-57.34	364.66	2.31	-55.03
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210506	0	43	-1.0	-64.61	370.50	5.16	-59.45
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCCCC1=NC(C2=CC=CC=C2)=NO1	REAL300008210507	0	42	-1.0	-49.95	373.37	4.33	-45.62
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2)C=C1OC	REAL300008210508	0	47	-1.0	-52.73	394.78	6.79	-45.94
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C2)C=C1OC	REAL300008210509	0	47	-1.0	-56.13	394.78	6.78	-49.35
COC1=CC=C(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)C2)C=C1OC	REAL300008210510	0	44	-1.0	-52.26	373.30	6.20	-46.06
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C2)C=C1OC	REAL300008210511	0	47	-1.0	-56.13	394.78	6.78	-49.35
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2)C=C1OC	REAL300008210512	0	47	-1.0	-52.73	394.78	6.79	-45.94
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])C2)C=C1OC	REAL300008210513	0	47	-1.0	-70.37	387.39	8.02	-62.35
COC1=CC=C(C2CCN(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)C2)C=C1OC	REAL300008210514	0	45	-1.0	-54.42	383.30	4.53	-49.89
COC1=CC=C(C2CCN(S(=O)(=O)C3=CN(CC(=O)[O-])N=C3)C2)C=C1OC	REAL300008210515	0	47	-1.0	-53.26	398.83	4.95	-48.31
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C2)C=C1OC	REAL300008210516	0	44	-1.0	-51.58	386.53	5.95	-45.63
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2)C=C1OC	REAL300008210517	0	44	-1.0	-56.84	370.36	3.85	-52.99
COC1=CC=C(C2CCN(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C2)C=C1OC	REAL300008210518	0	52	-1.0	-53.71	412.75	5.90	-47.81
COC1=CC=C(C2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C2)C=C1OC	REAL300008210519	0	52	-1.0	-50.40	413.25	6.00	-44.40
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])C2)C=C1OC	REAL300008210520	0	47	-1.0	-70.37	387.39	8.02	-62.35
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2)C=C1OC	REAL300008210521	0	44	-1.0	-54.09	379.02	5.18	-48.91
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)C2)C=C1OC	REAL300008210522	0	47	-1.0	-53.86	399.54	5.70	-48.16
COC1=CC=C(C2CCN(S(=O)(=O)CCCC(=O)[O-])C2)C=C1OC	REAL300008210523	0	46	-1.0	-55.84	380.89	5.41	-50.43
COC1=CC=C(C2CCN(S(=O)(=O)N3CCCC3C(=O)[O-])C2)C=C1OC	REAL300008210524	0	49	-1.0	-63.96	395.25	5.80	-58.16
COC1=CC=C(C2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C2)C=C1OC	REAL300008210525	0	52	-1.0	-50.40	413.25	6.00	-44.40
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2)C=C1OC	REAL300008210526	0	44	-1.0	-54.09	379.02	5.18	-48.91
COC1=CC=C(C2CCN(S(=O)(=O)CCCC(=O)[O-])C2)C=C1OC	REAL300008210527	0	46	-1.0	-55.84	380.89	5.41	-50.43
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C2)C=C1OC	REAL300008210528	0	44	-1.0	-53.05	387.97	5.82	-47.23
COC1=CC=C(C2CCN(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C2)C=C1OC	REAL300008210529	0	44	-1.0	-54.49	386.43	5.84	-48.65
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)C2)C=C1OC	REAL300008210530	0	44	-1.0	-52.81	379.26	4.93	-47.88
COC1=CC=C(C2CCN(S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C2)C=C1OC	REAL300008210531	0	47	-1.0	-58.35	393.80	5.82	-52.53
COC1=CC=C(C2CCN(S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)C2)C=C1OC	REAL300008210532	0	46	-1.0	-51.53	389.95	4.99	-46.54
COC1=CC=C(C2CCN(S(=O)(=O)C3=CSN=C3C(=O)[O-])C2)C=C1OC	REAL300008210533	0	43	-1.0	-69.51	375.54	4.99	-64.52
COC1=CC=C(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])N=CS3)C2)C=C1OC	REAL300008210534	0	43	-1.0	-69.29	376.65	4.64	-64.65
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=CN=C3C(=O)[O-])C2)C=C1OC	REAL300008210535	0	46	-1.0	-73.27	383.82	6.20	-67.07
COC1=CC=C(C2CCN(S(=O)(=O)CCCCCC(=O)[O-])C2)C=C1OC	REAL300008210536	0	52	-1.0	-57.06	423.88	6.98	-50.08
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)C2)C=C1OC	REAL300008210537	0	46	-1.0	-55.35	390.81	5.01	-50.34
COC1=CC=C(C2CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)C=C1OC	REAL300008210538	0	48	-1.0	-53.20	394.79	4.96	-48.24
COC1=CC=C(C2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)C=C1OC	REAL300008210539	0	50	-1.0	-56.80	406.12	6.66	-50.14
COC1=CC=C(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)C2)C=C1OC	REAL300008210540	0	47	-1.0	-54.85	386.83	5.17	-49.68
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC(C)=C(C(=O)[O-])O3)C2)C=C1OC	REAL300008210541	0	47	-1.0	-56.50	397.67	5.77	-50.73
COC1=CC=C(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)C2)C=C1OC	REAL300008210542	0	44	-1.0	-64.93	376.30	5.22	-59.71
COC1=CC=C(C2CCN(S(=O)(=O)C3(C(=O)[O-])CCC3)C2)C=C1OC	REAL300008210543	0	47	-1.0	-58.94	371.88	5.68	-53.26
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2)C=C1OC	REAL300008210544	0	44	-1.0	-56.84	370.36	3.85	-52.99
COC1=CC=C(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)C2)C=C1OC	REAL300008210545	0	47	-1.0	-54.85	386.83	5.17	-49.68
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C2)C=C1OC	REAL300008210546	0	46	-1.0	-51.40	390.48	4.93	-46.47
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=NC(C(=O)[O-])=C3)C2)C=C1OC	REAL300008210547	0	46	-1.0	-59.59	390.84	5.02	-54.57
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2)C=C1OC	REAL300008210548	0	44	-1.0	-49.31	378.59	3.05	-46.26
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=NN3C)C2)C=C1OC	REAL300008210549	0	47	-1.0	-58.63	395.44	4.60	-54.03
COC1=CC=C(C2CCN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2)C=C1OC	REAL300008210550	0	47	-1.0	-56.90	384.87	5.97	-50.93
COC1=CC=C(C2CCN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2)C=C1OC	REAL300008210551	0	50	-1.0	-59.69	397.21	6.35	-53.34
COC1=CC=C(C2CCN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])C2)C=C1OC	REAL300008210552	0	47	-1.0	-58.94	391.02	6.14	-52.80
COC1=CC=C(C2CCN(S(=O)(=O)N3CCCCC3C(=O)[O-])C2)C=C1OC	REAL300008210553	0	52	-1.0	-59.17	400.66	6.73	-52.44
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2)C=C1OC	REAL300008210554	0	44	-1.0	-49.31	378.59	3.05	-46.26
COC1=CC=C(C2CCN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C2)C=C1OC	REAL300008210555	0	49	-1.0	-62.13	394.03	5.96	-56.17
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2)C=C1OC	REAL300008210556	0	44	-1.0	-56.84	370.36	3.85	-52.99
COC1=CC=C(C2CCN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])C2)C=C1OC	REAL300008210557	0	47	-1.0	-63.59	377.15	6.66	-56.93
COC1=CC=C(C2CCN(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])C2)C=C1OC	REAL300008210558	0	46	-1.0	-62.19	382.24	6.18	-56.01
O=C([O-])C1=CC(S(=O)(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)=CN1	REAL300008210559	0	43	-1.0	-57.99	379.03	3.35	-54.64
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008210560	0	42	-1.0	-58.87	363.93	2.49	-56.38
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)O1	REAL300008210561	0	42	-1.0	-57.34	375.27	4.00	-53.34
O=C([O-])CCCS(=O)(=O)N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008210562	0	44	-1.0	-59.27	376.72	4.23	-55.04
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)O1	REAL300008210563	0	42	-1.0	-57.34	375.27	4.00	-53.34
O=C([O-])CCCS(=O)(=O)N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008210564	0	44	-1.0	-59.27	376.72	4.23	-55.04
O=C([O-])C1=COC(S(=O)(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)=C1	REAL300008210565	0	42	-1.0	-56.00	375.51	3.73	-52.27
CN(CCC(=O)[O-])S(=O)(=O)N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008210566	0	46	-1.0	-53.43	388.33	3.74	-49.69
O=C([O-])C1=C(S(=O)(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)OC=C1	REAL300008210567	0	42	-1.0	-67.62	368.99	4.38	-63.24
O=C([O-])C1(S(=O)(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)CCC1	REAL300008210568	0	45	-1.0	-47.73	368.72	4.43	-43.30
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008210569	0	42	-1.0	-58.87	363.93	2.49	-56.38
O=C([O-])C1=CC(S(=O)(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)=NN1	REAL300008210570	0	42	-1.0	-51.07	373.99	1.89	-49.18
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)C1	REAL300008210571	0	45	-1.0	-61.02	381.05	4.76	-56.26
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008210572	0	45	-1.0	-63.86	387.17	4.95	-58.91
O=C([O-])C1=CC(S(=O)(=O)N2CCC(S(=O)(=O)C3=CC=CC=C3)CC2)=NN1	REAL300008210573	0	42	-1.0	-51.07	373.99	1.89	-49.18
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008210574	0	42	-1.0	-58.87	363.93	2.49	-56.38
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008210575	0	45	-1.0	-62.82	371.05	5.31	-57.51
CC(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210576	0	39	-1.0	-60.29	338.65	6.05	-54.24
CCC(C)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210577	0	46	-1.0	-49.03	374.55	8.16	-40.87
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300008210578	0	31	-1.0	-49.54	306.98	5.26	-44.28
COC1=CC=C(C)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210579	0	41	-1.0	-52.93	341.92	6.18	-46.75
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210580	0	37	-1.0	-51.91	326.07	6.74	-45.17
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008210581	0	38	-1.0	-52.98	337.01	6.00	-46.98
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008210582	0	40	-1.0	-57.98	359.32	3.13	-54.85
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008210583	0	38	-1.0	-50.46	341.86	5.36	-45.10
COC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1OC	REAL300008210584	0	45	-1.0	-52.08	363.40	5.27	-46.81
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210585	0	37	-1.0	-48.73	321.13	6.56	-42.17
CN(CCCCC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	REAL300008210586	0	45	-1.0	-50.17	354.02	6.07	-44.10
CC1=NN(C)C(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210587	0	40	-1.0	-53.00	325.75	4.36	-48.64
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008210588	0	50	-1.0	-50.08	399.85	9.46	-40.62
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008210589	0	40	-1.0	-53.51	342.50	4.80	-48.71
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300008210590	0	34	-1.0	-50.60	306.71	6.05	-44.55
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008210591	0	34	-1.0	-50.46	317.19	6.18	-44.28
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210592	0	39	-1.0	-63.85	323.02	7.76	-56.09
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008210593	0	40	-1.0	-51.88	357.72	7.61	-44.27
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210594	0	44	-1.0	-58.71	379.00	2.15	-56.56
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210595	0	45	-1.0	-54.48	378.32	7.41	-47.07
CC1=CC(F)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210596	0	37	-1.0	-51.31	325.83	6.38	-44.93
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008210597	0	40	-1.0	-53.39	344.35	6.12	-47.27
COCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210598	0	41	-1.0	-52.05	353.69	5.34	-46.71
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=N1	REAL300008210599	0	40	-1.0	-49.97	347.05	3.26	-46.71
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008210600	0	43	-1.0	-63.56	383.65	3.81	-59.75
CN(CCCCC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300008210601	0	39	-1.0	-62.12	344.70	1.63	-60.49
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1C	REAL300008210602	0	44	-1.0	-51.07	350.29	6.00	-45.07
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008210603	0	39	-1.0	-52.33	351.55	6.22	-46.11
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008210604	0	37	-1.0	-52.56	342.57	7.02	-45.54
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008210605	0	39	-1.0	-54.26	336.81	5.95	-48.31
CN(CCCCC(=O)[O-])S(=O)(=O)N(C)C1CCOCC1	REAL300008210606	0	43	-1.0	-48.73	341.79	3.59	-45.14
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008210607	0	43	-1.0	-54.63	363.66	6.82	-47.81
CCN1N=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1C	REAL300008210608	0	43	-1.0	-51.17	357.36	5.58	-45.59
CC(C)N1C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=N1	REAL300008210609	0	40	-1.0	-51.28	342.77	4.74	-46.54
CC(C)CN1C=NC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210610	0	43	-1.0	-55.65	362.75	6.61	-49.04
CC(C)N1C=NC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210611	0	40	-1.0	-55.33	343.62	6.04	-49.29
CC(C)C1=NC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN1	REAL300008210612	0	40	-1.0	-58.02	341.81	4.10	-53.92
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008210613	0	46	-1.0	-51.59	352.73	8.49	-43.10
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008210614	0	42	-1.0	-63.75	364.47	5.06	-58.69
COC1=CC(Cl)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1OC	REAL300008210615	0	42	-1.0	-51.07	363.03	5.16	-45.91
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Br	REAL300008210616	0	37	-1.0	-47.67	335.38	6.76	-40.91
CC1=C(F)C=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210617	0	37	-1.0	-51.19	317.76	6.45	-44.74
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008210618	0	40	-1.0	-51.06	345.93	8.01	-43.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008210619	0	39	-1.0	-52.86	352.90	7.64	-45.22
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008210620	0	38	-1.0	-52.39	341.35	5.21	-47.18
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008210621	0	41	-1.0	-52.47	357.34	7.27	-45.20
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210622	0	49	-1.0	-53.26	390.63	6.67	-46.59
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008210623	0	37	-1.0	-53.24	332.79	6.54	-46.70
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210624	0	45	-1.0	-53.50	375.58	5.24	-48.26
C=CCSCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008216001	0	41	-1.0	-55.17	374.62	7.00	-48.17
C=CCSCC(NS(=O)(=O)N1CCCCCC1)C(=O)[O-]	REAL300008216002	0	41	-1.0	-41.78	345.66	5.02	-36.76
C=CCSCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008216003	0	41	-1.0	-50.94	358.50	6.60	-44.34
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008216004	0	39	-1.0	-54.41	361.25	5.71	-48.70
C=CCSCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300008216005	0	37	-1.0	-51.40	359.46	5.25	-46.15
C=CCSCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008216006	0	38	-1.0	-49.40	368.29	-0.10	-49.50
C=CCSCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008216007	0	41	-1.0	-53.26	379.06	6.37	-46.89
C=CCSCC(NS(=O)(=O)N1CCCCC1)C(=O)[O-]	REAL300008216008	0	38	-1.0	-50.43	321.07	3.66	-46.77
C=CCSCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008216009	0	42	-1.0	-50.36	361.92	5.80	-44.56
C=CCSCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008216010	0	41	-1.0	-45.99	364.99	6.07	-39.92
C=CCSCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008216011	0	41	-1.0	-56.82	370.85	7.64	-49.18
C=CCSCC(NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	REAL300008216012	0	41	-1.0	-50.59	342.11	4.21	-46.38
C=CCSCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008216013	0	45	-1.0	-53.71	397.74	4.28	-49.43
C=CCSCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008216014	0	39	-1.0	-57.25	373.94	2.39	-54.86
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008216015	0	43	-1.0	-54.31	377.27	8.68	-45.63
C=CCSCC(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300008216016	0	44	-1.0	-50.58	369.27	5.41	-45.17
C=CCSCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008216017	0	39	-1.0	-55.60	354.90	7.20	-48.40
C=CCSCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008216018	0	43	-1.0	-52.24	387.41	8.28	-43.96
C=CCSCC(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300008216019	0	36	-1.0	-52.48	335.28	5.89	-46.59
C=CCSCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008216020	0	47	-1.0	-53.37	408.33	7.06	-46.31
C=CCSCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008216021	0	34	-1.0	-53.98	339.24	3.24	-50.74
C=CCSCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008216022	0	37	-1.0	-54.54	359.44	5.27	-49.27
C=CCSCC(NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300008216023	0	37	-1.0	-45.23	343.55	4.26	-40.97
C=CCSCC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300008216024	0	48	-1.0	-51.61	403.94	7.65	-43.96
C=CCSCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300008216025	0	36	-1.0	-51.58	348.68	5.98	-45.60
C=CCSCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008216026	0	43	-1.0	-51.23	382.52	5.72	-45.51
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1CC)C(=O)[O-]	REAL300008216027	0	39	-1.0	-53.21	345.56	6.65	-46.56
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1C)C(=O)[O-]	REAL300008216028	0	36	-1.0	-52.91	328.58	5.80	-47.11
C=CCSCC(NS(=O)(=O)C1=CN(C)C(C)=N1)C(=O)[O-]	REAL300008216029	0	36	-1.0	-53.45	337.57	3.85	-49.60
C=CCSCC(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008216030	0	36	-1.0	-42.77	353.10	6.15	-36.62
C=CCSCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300008216031	0	34	-1.0	-61.43	323.33	3.73	-57.70
C=CCSCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008216032	0	38	-1.0	-50.73	338.25	6.04	-44.69
C=CCSCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300008216033	0	39	-1.0	-48.81	370.94	5.40	-43.41
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300008216034	0	37	-1.0	-49.26	349.16	4.22	-45.04
C=CCSCC(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300008216035	0	36	-1.0	-52.17	339.94	5.58	-46.59
C=CCSCC(NS(=O)(=O)CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300008216036	0	39	-1.0	-44.03	357.78	6.32	-37.71
C=CCSCC(NS(=O)(=O)C1=CN(C)C=N1)C(=O)[O-]	REAL300008216037	0	33	-1.0	-52.21	309.26	4.82	-47.39
C=CCSCC(NS(=O)(=O)C1=CC=CN=C1)C(=O)[O-]	REAL300008216038	0	32	-1.0	-41.74	306.95	3.15	-38.59
C=CCSCC(NS(=O)(=O)N1CCCCC1C)C(=O)[O-]	REAL300008216039	0	41	-1.0	-51.04	345.47	5.01	-46.03
C=CCSCC(NS(=O)(=O)N(CCC)CCC)C(=O)[O-]	REAL300008216040	0	43	-1.0	-42.06	367.07	5.20	-36.86
C=CCSCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008216041	0	36	-1.0	-40.16	368.29	6.60	-33.56
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300008216042	0	43	-1.0	-47.53	382.95	6.69	-40.84
C=CCSCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008216043	0	38	-1.0	-46.81	357.11	6.47	-40.34
C=CCSCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008216044	0	38	-1.0	-48.58	351.30	6.27	-42.31
C=CCSCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300008216045	0	41	-1.0	-55.76	373.91	7.32	-48.44
C=CCSCC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300008216046	0	45	-1.0	-51.77	394.64	7.54	-44.23
C=CCSCC(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300008216047	0	43	-1.0	-51.49	389.83	5.38	-46.11
C=CCSCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300008216048	0	45	-1.0	-42.42	382.67	2.28	-40.14
C=CCSCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300008216049	0	36	-1.0	-52.22	345.84	6.32	-45.90
C=CCSCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300008216050	0	43	-1.0	-45.70	387.62	5.83	-39.87
C=CCSCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300008216051	0	49	-1.0	-50.99	425.36	7.18	-43.81
C=CCSCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008216052	0	47	-1.0	-50.32	408.12	7.07	-43.25
C=CCSCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300008216053	0	46	-1.0	-50.94	406.16	6.59	-44.35
C=CCSCC(NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300008216054	0	43	-1.0	-50.90	386.06	5.90	-45.00
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300008216055	0	37	-1.0	-49.20	358.97	4.70	-44.50
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300008216056	0	40	-1.0	-51.30	363.01	4.89	-46.41
C=CCSCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300008216057	0	46	-1.0	-51.01	402.79	6.45	-44.56
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300008216058	0	40	-1.0	-51.40	358.26	5.10	-46.30
C=CCSCC(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300008216059	0	44	-1.0	-53.46	398.18	4.37	-49.09
C=CCSCC(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300008216060	0	36	-1.0	-54.32	342.41	5.59	-48.73
C=CCSCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008216061	0	36	-1.0	-48.64	350.17	6.42	-42.22
C=CCSCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300008216062	0	41	-1.0	-49.90	362.62	7.82	-42.08
C=CCSCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300008216063	0	42	-1.0	-62.70	389.84	3.31	-59.39
C=CCSCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300008216064	0	41	-1.0	-53.60	389.84	1.04	-52.56
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300008216065	0	41	-1.0	-53.56	368.52	3.38	-50.18
C=CCSCC(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300008216066	0	35	-1.0	-50.16	339.41	3.48	-46.68
C=CCSCC(NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300008216067	0	36	-1.0	-51.35	350.91	6.29	-45.06
C=CCSCC(NS(=O)(=O)CC1CCCC1)C(=O)[O-]	REAL300008216068	0	39	-1.0	-51.97	340.79	5.29	-46.68
C=CCSCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300008216069	0	37	-1.0	-48.13	349.17	4.22	-43.91
C=CCSCC(NS(=O)(=O)C1=CSC=C1)C(=O)[O-]	REAL300008216070	0	30	-1.0	-49.36	304.60	3.80	-45.56
C=CCSCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008216071	0	43	-1.0	-52.64	387.45	8.29	-44.35
C=CCSCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008216072	0	36	-1.0	-50.62	370.28	6.59	-44.03
C=CCSCC(NS(=O)(=O)CC1CCCCC1)C(=O)[O-]	REAL300008216073	0	42	-1.0	-51.96	355.80	5.99	-45.97
C=CCSCC(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300008216074	0	41	-1.0	-50.47	358.47	6.61	-43.86
C=CCSCC(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300008216075	0	41	-1.0	-46.39	377.99	2.64	-43.75
C=CCSCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300008216076	0	43	-1.0	-42.99	366.84	5.68	-37.31
C=CCSCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008216077	0	44	-1.0	-52.66	397.45	8.99	-43.67
C=CCSCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300008216078	0	43	-1.0	-53.04	378.27	5.82	-47.22
C=CCSCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300008216079	0	41	-1.0	-53.12	359.61	6.06	-47.06
C=CCSCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008216080	0	38	-1.0	-54.55	350.46	5.42	-49.13
C=CCSCC(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008216081	0	38	-1.0	-53.12	364.75	5.77	-47.35
C=CCSCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008216081	1	37	-2.0	-136.35	361.16	5.53	-130.82
C=CCSCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008216082	0	40	-1.0	-50.82	384.16	5.56	-45.26
C=CCSCC(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300008216083	0	41	-1.0	-57.07	376.56	6.12	-50.95
C=CCSCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008216084	0	43	-1.0	-45.63	400.03	6.53	-39.10
C=CCSCC(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300008216085	0	36	-1.0	-59.76	338.81	4.07	-55.69
C=CCSCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300008216086	0	55	-1.0	-42.89	446.38	7.85	-35.04
C=CCSCC(NS(=O)(=O)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300008216087	0	39	-1.0	-44.37	357.79	6.30	-38.07
C=CCSCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008216088	0	41	-1.0	-55.46	390.54	1.47	-53.99
C=CCSCC(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300008216089	0	36	-1.0	-41.99	339.61	5.66	-36.33
C=CCSCC(NS(=O)(=O)CC1=CC=CC=C1C)C(=O)[O-]	REAL300008216090	0	39	-1.0	-53.99	352.90	6.13	-47.86
C=CCSCC(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300008216091	0	46	-1.0	-48.04	404.85	7.61	-40.43
C=CCSCC(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300008216092	0	43	-1.0	-56.33	385.98	6.35	-49.98
C=CCSCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008216093	0	38	-1.0	-49.43	362.33	5.14	-44.29
C=CCSCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008216094	0	40	-1.0	-47.66	372.51	6.05	-41.61
C=CCSCC(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300008216095	0	47	-1.0	-53.74	420.28	5.32	-48.42
C=CCSCC(NS(=O)(=O)C1=CC=C(OCCCCC)C=C1)C(=O)[O-]	REAL300008216096	0	49	-1.0	-51.05	429.29	7.44	-43.61
C=CCSCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008216097	0	43	-1.0	-53.69	365.97	7.41	-46.28
C=CCSCC(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008216098	0	39	-1.0	-53.28	361.48	6.67	-46.61
C=CCSCC(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300008216099	0	38	-1.0	-51.56	349.19	4.17	-47.39
C=CCSCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008216100	0	41	-1.0	-53.66	376.27	6.17	-47.49
C=CCSCC(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300008216101	0	39	-1.0	-43.09	353.35	1.24	-41.85
C=CCSCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008216102	0	38	-1.0	-55.60	361.50	5.05	-50.55
C=CCSCC(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300008216103	0	43	-1.0	-51.42	380.30	6.00	-45.42
C=CCSCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300008216104	0	41	-1.0	-50.22	388.42	1.10	-49.12
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008216105	0	37	-1.0	-54.03	352.75	5.01	-49.02
C=CCSCC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300008216106	0	37	-1.0	-50.29	353.45	5.89	-44.40
C=CCSCC(NS(=O)(=O)CCCCCCC)C(=O)[O-]	REAL300008216107	0	44	-1.0	-39.74	380.96	6.48	-33.26
C=CCSCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008216108	0	39	-1.0	-43.07	375.44	6.65	-36.42
C=CCSCC(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300008216109	0	44	-1.0	-41.23	382.63	6.75	-34.48
C=CCSCC(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300008216110	0	39	-1.0	-50.48	359.59	4.76	-45.72
C=CCSCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008216111	0	39	-1.0	-46.98	355.47	4.58	-42.40
C=CCSCC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008216112	0	38	-1.0	-46.00	349.46	5.46	-40.54
C=CCSCC(NS(=O)(=O)CC1CCCO1)C(=O)[O-]	REAL300008216113	0	37	-1.0	-43.67	332.06	3.25	-40.42
C=CCSCC(NS(=O)(=O)CC1CCCCO1)C(=O)[O-]	REAL300008216114	0	40	-1.0	-55.40	351.03	3.89	-51.51
C=CCSCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300008216115	0	39	-1.0	-52.55	367.89	6.36	-46.19
C=CCSCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008216116	0	42	-1.0	-54.08	378.07	6.47	-47.61
C=CCSCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300008216117	0	41	-1.0	-49.03	379.81	4.56	-44.47
C=CCSCC(NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008216118	0	40	-1.0	-45.00	378.09	5.47	-39.53
C=CCSCC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300008216119	0	40	-1.0	-44.49	369.11	4.67	-39.82
C=CCSCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008216120	0	44	-1.0	-48.43	376.72	6.19	-42.24
C=CCSCC(NS(=O)(=O)C1=CN(CC)N=C1)C(=O)[O-]	REAL300008216121	0	36	-1.0	-44.12	338.02	3.49	-40.63
C=CCSCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008216122	0	36	-1.0	-53.00	350.44	6.03	-46.97
C=CCSCC(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008216123	0	40	-1.0	-39.10	379.19	5.39	-33.71
C=CCSCC(NS(=O)(=O)N(C)C(C)C1CC1)C(=O)[O-]	REAL300008216124	0	41	-1.0	-41.26	350.47	4.76	-36.50
C=CCSCC(NS(=O)(=O)C1=CC=NN1C)C(=O)[O-]	REAL300008216125	0	33	-1.0	-48.22	308.68	2.12	-46.10
C=CCSCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008216126	0	36	-1.0	-45.52	360.10	6.48	-39.04
C=CCSCC(NS(=O)(=O)CC1CCOC1)C(=O)[O-]	REAL300008216127	0	37	-1.0	-39.35	327.75	2.72	-36.63
C=CCSCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008216128	0	41	-1.0	-44.42	369.00	5.54	-38.88
C=CCSCC(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300008216129	0	45	-1.0	-41.06	364.54	7.90	-33.16
C=CCSCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008216130	0	39	-1.0	-47.57	362.92	6.20	-41.37
C=CCSCC(NS(=O)(=O)N(C)CCOC)C(=O)[O-]	REAL300008216131	0	38	-1.0	-41.22	343.31	2.31	-38.91
C=CCSCC(NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	REAL300008216132	0	38	-1.0	-50.93	341.95	4.46	-46.47
C=CCSCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300008216133	0	42	-1.0	-53.69	389.62	3.94	-49.75
C=CCSCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008216134	0	36	-1.0	-50.74	348.66	3.69	-47.05
C=CCSCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008216134	1	35	-2.0	-129.89	351.42	3.53	-126.36
C=CCSCC(NS(=O)(=O)C1=C(C)OC(C)=C1)C(=O)[O-]	REAL300008216135	0	36	-1.0	-43.17	337.30	4.52	-38.65
C=CCSCC(NS(=O)(=O)C1=CC(C)=CS1)C(=O)[O-]	REAL300008216136	0	33	-1.0	-51.72	327.78	4.54	-47.18
C=CCSCC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008216137	0	36	-1.0	-48.97	341.71	5.34	-43.63
C=CCSCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008216137	1	35	-2.0	-135.84	336.49	5.60	-130.24
C=CCSCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008216138	0	36	-1.0	-43.23	337.99	3.59	-39.64
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300008216139	0	36	-1.0	-49.14	340.46	1.54	-47.60
C=CCSCC(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300008216140	0	37	-1.0	-55.46	331.93	3.87	-51.59
C=CCSCC(NS(=O)(=O)C1=C(C)C=CS1)C(=O)[O-]	REAL300008216141	0	33	-1.0	-52.37	312.55	4.39	-47.98
C=CCSCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008216142	0	41	-1.0	-44.76	365.64	5.56	-39.20
C=CCSCC(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008216143	0	40	-1.0	-53.55	350.06	6.37	-47.18
C=CCSCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300008216144	0	43	-1.0	-46.38	393.92	6.72	-39.66
C=CCSCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008216145	0	41	-1.0	-44.65	387.83	6.07	-38.58
C=CCSCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300008216146	0	38	-1.0	-46.85	357.67	6.04	-40.81
C=CCSCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300008216147	0	44	-1.0	-56.40	401.81	5.64	-50.76
C=CCSCC(NS(=O)(=O)C1=CN(C)N=C1C)C(=O)[O-]	REAL300008216148	0	36	-1.0	-51.40	334.98	3.13	-48.27
C=CCSCC(NS(=O)(=O)C1=CC=C(C)O1)C(=O)[O-]	REAL300008216149	0	33	-1.0	-53.28	319.30	3.72	-49.56
C=CCSCC(NS(=O)(=O)C1=C(C)C=NN1C)C(=O)[O-]	REAL300008216150	0	36	-1.0	-43.06	330.42	3.39	-39.67
C=CCSCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008216151	0	35	-1.0	-51.41	345.52	4.32	-47.09
C=CCSCC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008216152	0	41	-1.0	-53.76	364.99	5.26	-48.50
C=CCSCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300008216153	0	42	-1.0	-45.86	379.24	7.87	-37.99
C=CCSCC(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300008216154	0	34	-1.0	-57.32	324.65	3.21	-54.11
C=CCSCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008216155	0	41	-1.0	-44.96	364.47	5.34	-39.62
C=CCSCC(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300008216156	0	38	-1.0	-48.29	348.45	4.69	-43.60
C=CCSCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008216157	0	38	-1.0	-54.32	360.45	4.89	-49.43
C=CCSCC(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300008216158	0	38	-1.0	-45.98	349.86	4.79	-41.19
C=CCSCC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008216159	0	39	-1.0	-51.42	375.33	6.86	-44.56
C=CCSCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008216160	0	45	-1.0	-53.06	387.67	5.41	-47.65
C=CCSCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008216161	0	35	-1.0	-47.81	347.98	4.07	-43.74
C=CCSCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300008216162	0	41	-1.0	-60.63	365.48	5.43	-55.20
C=CCSCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008216163	0	41	-1.0	-47.44	372.18	6.97	-40.47
C=CCSCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300008216164	0	41	-1.0	-52.23	365.37	8.13	-44.10
C=CCSCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300008216165	0	41	-1.0	-56.03	370.03	6.73	-49.30
C=CCSCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008216166	0	43	-1.0	-52.75	387.86	5.67	-47.08
C=CCSCC(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300008216167	0	36	-1.0	-50.51	338.18	2.31	-48.20
C=CCSCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008216168	0	42	-1.0	-44.75	387.04	6.61	-38.14
C=CCSCC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300008216169	0	40	-1.0	-43.12	361.16	7.03	-36.09
C=CCSCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300008216170	0	41	-1.0	-54.35	372.49	3.47	-50.88
C=CCSCC(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300008216171	0	45	-1.0	-51.44	379.14	6.54	-44.90
C=CCSCC(NS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300008216172	0	42	-1.0	-52.46	380.01	7.01	-45.45
C=CCSCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300008216173	0	39	-1.0	-42.25	351.33	4.44	-37.81
C=CCSCC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300008216174	0	36	-1.0	-56.20	342.63	5.23	-50.97
C=CCSCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300008216175	0	37	-1.0	-47.96	358.74	4.73	-43.23
C=CCSCC(NS(=O)(=O)CCC1CCCC1)C(=O)[O-]	REAL300008216176	0	42	-1.0	-51.42	363.56	5.98	-45.44
C=CCSCC(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300008216177	0	39	-1.0	-56.67	361.48	6.21	-50.46
C=CCSCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008216178	0	41	-1.0	-60.12	362.14	6.44	-53.68
C=CCSCC(NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300008216179	0	38	-1.0	-51.33	357.08	2.51	-48.82
C=CCSCC(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300008216180	0	45	-1.0	-52.92	390.51	7.41	-45.51
C=CCSCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008216181	0	41	-1.0	-39.52	369.11	7.20	-32.32
C=CCSCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300008216182	0	43	-1.0	-48.01	372.73	6.52	-41.49
C=CCSCC(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300008216183	0	36	-1.0	-43.55	344.90	5.33	-38.22
C=CCSCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008216184	0	34	-1.0	-41.22	336.51	2.81	-38.41
C=CCSCC(NS(=O)(=O)C1=CN=C(C)S1)C(=O)[O-]	REAL300008216185	0	32	-1.0	-49.63	322.66	2.74	-46.89
C=CCSCC(NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300008216186	0	35	-1.0	-49.25	344.18	3.49	-45.76
C=CCSCC(NS(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300008216187	0	34	-1.0	-41.48	318.38	2.35	-39.13
C=CCSCC([N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300008216187	1	33	-2.0	-119.00	312.95	2.60	-116.40
C=CCSCC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008216188	0	40	-1.0	-53.33	362.29	4.64	-48.69
C=CCSCC(NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300008216189	0	36	-1.0	-44.35	343.66	5.58	-38.77
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008216190	0	39	-1.0	-48.41	356.79	6.73	-41.68
C=CCSCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008216191	0	36	-1.0	-44.38	322.22	3.35	-41.03
C=CCSCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300008216192	0	39	-1.0	-40.77	358.96	6.27	-34.50
C=CCSCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008216193	0	40	-1.0	-59.77	369.46	4.59	-55.18
C=CCSCC(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300008216194	0	46	-1.0	-42.19	413.40	6.47	-35.72
C=CCSCC(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300008216195	0	37	-1.0	-57.76	353.06	4.97	-52.79
C=CCSCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008216196	0	35	-1.0	-56.87	345.61	4.36	-52.51
C=CCSCC(NS(=O)(=O)C1=CC=C(C)N=C1)C(=O)[O-]	REAL300008216197	0	35	-1.0	-52.23	330.11	3.64	-48.59
C=CCSCC(NS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300008216198	0	35	-1.0	-56.81	343.44	3.26	-53.55
C=CCSCC(NS(=O)(=O)CC(OC)C1CC1)C(=O)[O-]	REAL300008216199	0	40	-1.0	-54.40	355.27	4.59	-49.81
C=CCSCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008216200	0	36	-1.0	-40.63	353.10	6.16	-34.47
C=CCSCC(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300008216201	0	36	-1.0	-48.65	348.94	5.94	-42.71
C=CCSCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008216202	0	39	-1.0	-62.23	361.33	5.85	-56.38
C=CCSCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300008216203	0	42	-1.0	-52.38	399.70	6.32	-46.06
C=CCSCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008216204	0	41	-1.0	-48.50	365.24	6.19	-42.31
C=CCSCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008216205	0	40	-1.0	-58.33	378.37	2.73	-55.60
C=CCSCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008216206	0	42	-1.0	-50.79	375.93	5.31	-45.48
C=CCSCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008216207	0	36	-1.0	-42.84	356.25	6.15	-36.69
C=CCSCC(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300008216208	0	46	-1.0	-51.88	403.29	6.53	-45.35
C=CCSCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300008216209	0	46	-1.0	-51.90	390.48	5.17	-46.73
C=CCSCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300008216210	0	49	-1.0	-52.69	405.04	5.87	-46.82
C=CCSCC(NS(=O)(=O)C1COC(C)(C)C1)C(=O)[O-]	REAL300008216211	0	40	-1.0	-51.89	342.88	3.08	-48.81
C=CCSCC(NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300008216212	0	43	-1.0	-54.06	377.19	5.17	-48.89
C=CCSCC(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300008216213	0	46	-1.0	-58.97	405.07	6.98	-51.99
C=CCSCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008216214	0	36	-1.0	-42.81	351.68	4.47	-38.34
C=CCSCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008216215	0	41	-1.0	-48.73	377.20	7.35	-41.38
C=CCSCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008216216	0	40	-1.0	-42.66	356.30	4.72	-37.94
C=CCSCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008216217	0	46	-1.0	-50.43	407.58	6.75	-43.68
C=CCSCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008216218	0	36	-1.0	-45.32	354.78	3.55	-41.77
C=CCSCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008216219	0	43	-1.0	-49.01	375.43	8.23	-40.78
C=CCSCC(NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300008216220	0	46	-1.0	-53.15	399.98	6.56	-46.59
C=CCSCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008216221	0	34	-2.0	-150.13	334.84	4.15	-145.98
C=CCSCC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008216221	1	35	-1.0	-59.44	341.80	3.88	-55.56
C=CCSCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300008216222	0	42	-1.0	-47.40	362.11	7.99	-39.41
C=CCSCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300008216223	0	42	-1.0	-48.31	382.70	3.39	-44.92
C=CCSCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300008216224	0	37	-1.0	-50.77	349.13	4.93	-45.84
C=CCSCC(NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008216225	0	49	-1.0	-51.98	423.18	7.12	-44.86
C=CCSCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008216226	0	45	-1.0	-51.93	391.68	7.10	-44.83
C=CCSCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008216227	0	52	-1.0	-43.16	438.23	9.44	-33.72
C=CCSCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008216228	0	43	-1.0	-48.87	369.78	4.91	-43.96
C=CCSCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008216229	0	45	-1.0	-52.38	375.23	4.76	-47.62
C=CCSCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008216230	0	43	-1.0	-47.56	381.45	5.31	-42.25
C=CCSCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008216231	0	36	-1.0	-39.84	342.54	3.74	-36.10
C=CCSCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008216232	0	40	-1.0	-46.38	370.96	5.07	-41.31
C=CCCC1=CC=C(S(=O)(=O)NC(CSCC=C)C(=O)[O-])C=C1	REAL300008216233	0	43	-1.0	-51.36	390.47	7.66	-43.70
C=CCSCC(NS(=O)(=O)C1=CN(C)N=C1CC)C(=O)[O-]	REAL300008216234	0	39	-1.0	-51.39	359.70	3.94	-47.45
C=CCSCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008216235	0	37	-1.0	-43.06	362.68	6.67	-36.39
C=CCSCC(NS(=O)(=O)C1=CC=C(OCCC)C(CC)=C1)C(=O)[O-]	REAL300008216236	0	49	-1.0	-51.46	428.00	7.36	-44.10
C=CCSCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300008216237	0	39	-1.0	-40.49	356.45	6.96	-33.53
C=CCSCC(NS(=O)(=O)CCCC1CC1)C(=O)[O-]	REAL300008216238	0	39	-1.0	-40.85	351.08	5.74	-35.11
C=CCSCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008216239	0	37	-1.0	-43.85	358.09	6.56	-37.29
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1CCC)C(=O)[O-]	REAL300008216240	0	42	-1.0	-53.11	365.96	7.41	-45.70
C=CCSCC(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300008216241	0	36	-1.0	-46.00	323.71	2.07	-43.93
C=CCSCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008216242	0	38	-1.0	-54.98	350.21	5.39	-49.59
C=CCSCC(NS(=O)(=O)C1=CN=C(C)N1C)C(=O)[O-]	REAL300008216243	0	36	-1.0	-52.83	333.41	3.92	-48.91
C=CCSCC(NS(=O)(=O)C1=CC=CC=N1)C(=O)[O-]	REAL300008216244	0	32	-1.0	-49.42	303.39	3.67	-45.75
C=CCSCC(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300008216245	0	36	-1.0	-40.98	334.52	5.58	-35.40
C=CCSCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008216246	0	40	-1.0	-52.71	364.24	4.55	-48.16
C=CCSCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008216247	0	40	-1.0	-43.35	356.13	4.66	-38.69
C=CCSCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008216248	0	43	-1.0	-49.58	369.65	5.05	-44.53
C=CCSCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008216249	0	44	-1.0	-45.59	374.62	2.86	-42.73
C=CCSCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008216250	0	39	-1.0	-51.47	381.14	5.79	-45.68
C=CCSCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300008216251	0	40	-1.0	-46.14	351.23	4.85	-41.29
C=CCSCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300008216252	0	49	-1.0	-55.61	407.83	6.31	-49.30
C=CCSCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300008216253	0	43	-1.0	-43.48	386.71	6.39	-37.09
C=CCSCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300008216254	0	41	-1.0	-57.45	371.89	5.48	-51.97
C=CCSCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008216255	0	41	-1.0	-49.82	383.04	4.55	-45.27
C=CCSCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008216256	0	39	-1.0	-46.59	364.72	5.56	-41.03
C=CCSCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300008216257	0	38	-1.0	-62.53	354.65	4.48	-58.05
C=CCSCC(NS(=O)(=O)C1=CN=NN1CC)C(=O)[O-]	REAL300008216258	0	35	-1.0	-42.41	327.87	2.20	-40.21
C=CCSCC(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300008216259	0	42	-1.0	-51.07	356.59	4.71	-46.36
C=CCSCC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300008216260	0	34	-1.0	-47.05	328.01	3.66	-43.39
C=CCSCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008216261	0	36	-1.0	-46.25	350.79	6.39	-39.86
C=CCSCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008216262	0	40	-1.0	-45.42	364.53	4.71	-40.71
C=CCSCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300008216263	0	42	-1.0	-42.07	363.55	7.16	-34.91
C=CCSCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300008216264	0	41	-1.0	-53.56	371.90	4.76	-48.80
C=CCSCC(NS(=O)(=O)C1=COC2=CC=CC=C21)C(=O)[O-]	REAL300008216265	0	36	-1.0	-45.40	328.81	4.71	-40.69
C=CCSCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008216266	0	46	-1.0	-46.52	398.87	5.82	-40.70
C=CCSCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300008216267	0	45	-1.0	-50.03	388.83	5.35	-44.68
C=CCSCC(NS(=O)(=O)C1=CN(CCCC)N=C1C)C(=O)[O-]	REAL300008216268	0	45	-1.0	-50.97	404.21	5.61	-45.36
C=CCSCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008216269	0	40	-1.0	-47.09	370.11	4.83	-42.26
C=CCSCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008216270	0	37	-1.0	-53.59	352.71	4.43	-49.16
C=CCSCC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008216271	0	38	-1.0	-54.16	356.79	3.24	-50.92
C=CCSCC(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300008216272	0	44	-1.0	-50.95	367.64	5.23	-45.72
C=CCSCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008216273	0	43	-1.0	-46.80	385.65	5.35	-41.45
C=CCSCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300008216274	0	51	-1.0	-55.95	416.88	8.25	-47.70
C=CCSCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008216275	0	43	-1.0	-46.33	388.04	5.60	-40.73
C=CCSCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008216276	0	37	-1.0	-53.79	340.43	5.68	-48.11
C=CCSCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008216277	0	42	-1.0	-69.77	376.91	6.27	-63.50
C=CCSCC(NS(=O)(=O)C1=CC=CC(CCC)=C1)C(=O)[O-]	REAL300008216278	0	42	-1.0	-51.99	377.87	7.07	-44.92
C=CCSCC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008216279	0	40	-1.0	-45.69	356.27	4.46	-41.23
C=CCSCC(NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)C(=O)[O-]	REAL300008216280	0	39	-1.0	-50.81	339.99	4.24	-46.57
C=CCSCC(NS(=O)(=O)C1=C(C)C=CC=C1C)C(=O)[O-]	REAL300008216281	0	39	-1.0	-41.74	338.31	6.52	-35.22
C=CCSCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008216282	0	42	-1.0	-50.56	353.79	4.35	-46.21
C=CCSCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008216283	0	42	-1.0	-45.67	378.57	4.68	-40.99
C=CCSCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008216284	0	40	-1.0	-44.39	361.97	3.98	-40.41
C=CCSCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008216285	0	38	-1.0	-45.36	364.49	4.67	-40.69
C=CCSCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008216286	0	36	-1.0	-37.65	357.08	6.00	-31.65
C=CCSCC(NS(=O)(=O)C1=CC(C)=NN1C)C(=O)[O-]	REAL300008216287	0	36	-1.0	-47.98	335.35	3.14	-44.84
C=CCSCC(NS(=O)(=O)C1=CC=CC(C)=C1C)C(=O)[O-]	REAL300008216288	0	39	-1.0	-53.35	346.41	6.32	-47.03
C=CCSCC(NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300008216289	0	44	-1.0	-48.73	398.63	6.99	-41.74
C=CCSCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008216290	0	44	-1.0	-53.41	382.06	7.92	-45.49
C=CCSCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008216291	0	39	-1.0	-49.12	375.89	5.88	-43.24
C=CCSCC(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008216292	0	39	-1.0	-44.86	355.34	5.40	-39.46
C=CCSCC(NS(=O)(=O)N(C)C1CCC1)C(=O)[O-]	REAL300008216293	0	38	-1.0	-50.54	330.09	3.84	-46.70
C=CCSCC(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300008216294	0	40	-1.0	-45.05	362.48	3.22	-41.83
C=CCSCC(NC(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300008216295	0	37	-1.0	-50.23	322.66	7.35	-42.88
C=CCSCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008216296	0	33	-1.0	-50.57	328.61	5.09	-45.48
C=CCSCC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300008216297	0	40	-1.0	-51.58	362.44	6.98	-44.60
C=CCSCC(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300008216298	0	34	-1.0	-41.96	320.31	3.91	-38.05
C=CCSCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008216299	0	43	-1.0	-49.60	373.93	5.24	-44.36
C=CCSCC(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300008216300	0	42	-1.0	-48.77	364.72	4.34	-44.43
C=CCSCC(NS(=O)(=O)N(C)C(C)(C)C)C(=O)[O-]	REAL300008216301	0	40	-1.0	-42.19	337.19	4.44	-37.75
C=CCSCC(NS(=O)(=O)C1=CC=C(CC)O1)C(=O)[O-]	REAL300008216302	0	36	-1.0	-53.06	340.78	4.51	-48.55
C=CCSCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300008216303	0	47	-1.0	-43.18	383.19	6.00	-37.18
C=CCSCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008216304	0	47	-1.0	-52.04	405.50	3.69	-48.35
C=CCSCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008216305	0	39	-1.0	-50.63	366.71	6.39	-44.24
C=CCSCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008216306	0	37	-1.0	-44.33	351.21	4.51	-39.82
C=CCSCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008216307	0	48	-1.0	-50.98	408.66	7.51	-43.47
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300008216308	0	34	-1.0	-41.93	335.73	3.39	-38.54
C=CCSCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008216309	0	44	-1.0	-55.01	385.48	7.31	-47.70
C=CCSCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300008216310	0	41	-1.0	-50.10	356.40	4.49	-45.61
C=CCSCC(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300008216311	0	36	-1.0	-41.37	344.61	3.63	-37.74
C=CCSCC(NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300008216312	0	43	-1.0	-43.91	390.62	5.68	-38.23
C=CCSCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008216313	0	43	-1.0	-50.20	384.99	5.62	-44.58
C=CCSCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008216314	0	46	-1.0	-47.16	400.44	5.91	-41.25
C=CCSCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008216315	0	44	-1.0	-50.41	402.14	7.71	-42.70
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300008216316	0	36	-1.0	-52.98	329.96	5.58	-47.40
C=CCSCC(NS(=O)(=O)C1=CN=CC(C)=C1)C(=O)[O-]	REAL300008216317	0	35	-1.0	-51.27	329.71	3.71	-47.56
C=CCSCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300008216318	0	42	-1.0	-48.78	372.40	7.85	-40.93
C=CCSCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008216319	0	43	-1.0	-53.75	384.72	6.23	-47.52
C=CCSCC(NS(=O)(=O)N1CC2CC1C2)C(=O)[O-]	REAL300008216320	0	36	-1.0	-52.57	320.77	3.61	-48.96
C=CCSCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300008216321	0	37	-1.0	-50.78	352.77	6.17	-44.61
C=CCSCC(NS(=O)(=O)CCCOCC)C(=O)[O-]	REAL300008216322	0	39	-1.0	-39.66	350.50	3.39	-36.27
C=CCSCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008216323	0	38	-1.0	-42.63	355.81	-1.14	-43.77
C=CCSCC(NS(=O)(=O)C1=CN=C2C=CC=CN21)C(=O)[O-]	REAL300008216324	0	36	-1.0	-50.60	337.43	5.30	-45.30
C=CCSCC(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300008216325	0	39	-1.0	-38.85	347.05	5.31	-33.54
C=CCSCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008216326	0	35	-1.0	-51.37	344.13	4.26	-47.11
C=CCSCC(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300008216327	0	41	-1.0	-44.57	364.27	2.07	-42.50
C=CCSCC(NS(=O)(=O)CC1COCCO1)C(=O)[O-]	REAL300008216328	0	38	-1.0	-42.51	340.97	2.29	-40.22
C=CCSCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008216329	0	42	-1.0	-52.26	380.93	5.17	-47.09
C=CCSCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008216329	1	41	-2.0	-146.00	387.30	3.63	-142.37
C=CCSCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008216330	0	50	-1.0	-42.99	389.62	7.80	-35.19
C=CCSCC(NS(=O)(=O)CCN1C=NN=N1)C(=O)[O-]	REAL300008216331	0	34	-1.0	-49.50	324.23	2.75	-46.75
C=CCSCC(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300008216332	0	43	-1.0	-56.13	373.68	4.05	-52.08
C=CCSCC(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300008216333	0	36	-1.0	-44.09	340.43	0.56	-43.53
C=CCSCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300008216334	0	41	-1.0	-46.28	351.71	5.40	-40.88
C=CCSCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008216335	0	41	-1.0	-54.15	383.20	1.74	-52.41
C=CCSCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008216336	0	46	-1.0	-53.76	387.37	5.22	-48.54
C=CCSCC(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300008216337	0	43	-1.0	-41.30	383.14	7.21	-34.09
C=CCSCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008216338	0	37	-1.0	-60.53	361.32	3.87	-56.66
C=CCSCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008216339	0	43	-1.0	-53.16	395.04	7.73	-45.43
C=CCSCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008216340	0	42	-1.0	-57.61	367.25	2.26	-55.35
C=CCSCC(NS(=O)(=O)C1(CCOC)CC1)C(=O)[O-]	REAL300008216341	0	40	-1.0	-43.18	344.23	3.99	-39.19
C=CCSCC(NS(=O)(=O)C1=NN(CC)N=C1)C(=O)[O-]	REAL300008216342	0	35	-1.0	-45.30	332.52	1.76	-43.54
C=CCSCC([N-]S(=O)(=O)C1=NN(CC)N=C1)C(=O)[O-]	REAL300008216342	1	34	-2.0	-131.16	327.34	2.10	-129.06
C=CCSCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008216343	0	46	-1.0	-52.09	380.45	6.86	-45.23
C=CCSCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008216344	0	37	-1.0	-52.71	357.99	6.21	-46.50
C=CCSCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008216345	0	44	-1.0	-52.29	387.75	5.89	-46.40
C=CCSCC(NS(=O)(=O)[C@H]1COC[C@H]1OC)C(=O)[O-]	REAL300008216346	0	38	-1.0	-53.56	336.52	1.62	-51.94
C=CCSCC(NS(=O)(=O)C1=CC(C)=CO1)C(=O)[O-]	REAL300008216347	0	33	-1.0	-52.17	319.05	3.60	-48.57
C=CCSCC(NS(=O)(=O)C1=CC=C(C)O1)C(=O)[O-]	REAL300008216348	0	33	-1.0	-53.28	319.30	3.72	-49.56
C=CCSCC(NS(=O)(=O)C1=CNN=C1CC)C(=O)[O-]	REAL300008216349	0	36	-1.0	-50.97	327.03	2.42	-48.55
C=CCSCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300008216350	0	38	-1.0	-54.44	354.73	2.77	-51.67
C=CCSCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300008216351	0	45	-1.0	-51.35	372.59	5.26	-46.09
C=CCSCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300008216352	0	44	-1.0	-40.00	382.49	6.59	-33.41
C=CCSCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008216353	0	37	-1.0	-43.95	349.50	4.50	-39.45
C=CCSCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008216353	1	36	-2.0	-138.11	344.48	4.80	-133.31
C=CCSCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008216354	0	37	-1.0	-54.26	358.93	4.50	-49.76
C=CCSCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008216355	0	39	-1.0	-51.04	357.65	4.79	-46.25
C=CCSCC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008216356	0	40	-1.0	-50.85	367.76	6.72	-44.13
C=CCSCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008216357	0	46	-1.0	-52.95	401.98	7.21	-45.74
C=CCSCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008216358	0	44	-1.0	-51.63	401.95	7.71	-43.92
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008216359	0	39	-1.0	-59.59	346.47	6.70	-52.89
C=CCSCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008216360	0	34	-1.0	-43.96	342.15	3.82	-40.14
C=CCSCC(NS(=O)(=O)C1=CC=CC(OCC(=C)C)=C1)C(=O)[O-]	REAL300008216361	0	44	-1.0	-52.13	396.93	6.50	-45.63
C=CCSCC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300008216362	0	43	-1.0	-47.62	390.94	5.65	-41.97
C=CCSCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300008216363	0	37	-1.0	-61.21	352.69	4.28	-56.93
C=CCSCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008216364	0	39	-1.0	-42.40	374.58	7.71	-34.69
C=CCSCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008216365	0	32	-1.0	-47.32	340.88	2.87	-44.45
C=CCSCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300008216366	0	46	-1.0	-45.45	400.76	6.17	-39.28
C=CCSCC(NS(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300008216367	0	30	-1.0	-42.22	312.93	3.44	-38.78
C=CCSCC(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300008216368	0	30	-1.0	-47.62	322.82	4.41	-43.21
C=CCSCC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300008216369	0	47	-1.0	-57.34	419.52	5.23	-52.11
C=CCSCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008216370	0	39	-1.0	-46.35	372.46	7.81	-38.54
C=CCSCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008216371	0	41	-1.0	-47.20	361.88	2.65	-44.55
C=CCSCC(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300008216372	0	40	-1.0	-54.16	357.07	7.13	-47.03
C=CCSCC(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300008216373	0	44	-1.0	-41.76	366.49	5.07	-36.69
C=CCSCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300008216374	0	36	-1.0	-41.35	340.65	2.56	-38.79
C=CCSCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300008216375	0	39	-1.0	-48.49	360.88	2.27	-46.22
C=CCSCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300008216376	0	42	-1.0	-44.75	374.91	5.08	-39.67
C=CCSCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300008216377	0	42	-1.0	-50.83	374.95	4.53	-46.30
C=CCSCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300008216378	0	43	-1.0	-39.08	366.09	2.47	-36.61
C=CCSCC(NS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300008216379	0	39	-1.0	-53.75	367.69	2.73	-51.02
C=CCSCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300008216380	0	44	-1.0	-55.71	386.82	5.32	-50.39
C=CCSCC(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300008216381	0	39	-1.0	-48.03	355.89	4.14	-43.89
C=CCSCC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300008216382	0	40	-1.0	-42.33	360.42	4.82	-37.51
C=CCSCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008216383	0	40	-1.0	-49.30	369.30	6.13	-43.17
C=CCSCC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300008216384	0	35	-1.0	-55.56	342.85	3.84	-51.72
C=CCSCC(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300008216385	0	38	-1.0	-60.84	347.68	5.25	-55.59
C=CCSCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300008216386	0	42	-1.0	-54.49	374.92	4.61	-49.88
C=CCSCC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008216387	0	38	-1.0	-52.14	341.02	6.22	-45.92
C=CCSCC(NS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300008216388	0	38	-1.0	-57.39	346.85	4.52	-52.87
C=CCSCC(NS(=O)(=O)C1=CC=NC=C1C)C(=O)[O-]	REAL300008216389	0	35	-1.0	-40.32	319.27	3.92	-36.40
C=CCSCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300008216390	0	36	-1.0	-48.59	337.77	4.29	-44.30
C=CCSCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300008216391	0	41	-1.0	-56.34	364.05	0.44	-55.90
C=CCSCC(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300008216392	0	40	-1.0	-50.06	345.01	2.96	-47.10
C=CCSCC(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300008216393	0	39	-1.0	-53.34	351.69	4.32	-49.02
C=CCSCC(NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300008216394	0	36	-1.0	-48.62	339.62	2.38	-46.24
C=CCSCC(NS(=O)(=O)N(CC=C)CC=C)C(=O)[O-]	REAL300008216395	0	39	-1.0	-42.32	351.86	4.80	-37.52
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300008216396	0	40	-1.0	-55.79	358.83	5.47	-50.32
C=CCSCC(NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300008216397	0	36	-1.0	-55.30	340.07	2.28	-53.02
C=CCSCC(NS(=O)(=O)C1=NC=CC=C1C)C(=O)[O-]	REAL300008216398	0	35	-1.0	-46.67	323.00	3.81	-42.86
C=CCSCC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300008216399	0	38	-1.0	-51.92	350.69	5.32	-46.60
C=CCSCC(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300008216400	0	39	-1.0	-50.90	358.06	4.27	-46.63
C=CCSCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008216401	0	41	-1.0	-60.67	372.42	6.08	-54.59
C=CCSCC(NS(=O)(=O)C1=CC=NC(C)=C1)C(=O)[O-]	REAL300008216402	0	35	-1.0	-48.85	330.16	3.71	-45.14
C=CCSCC(NS(=O)(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]	REAL300008216403	0	37	-1.0	-54.26	348.48	4.87	-49.39
C=CCSCC(NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300008216404	0	35	-1.0	-43.89	327.61	3.38	-40.51
C=CCSCC(NS(=O)(=O)C1=CN=CS1)C(=O)[O-]	REAL300008216405	0	29	-1.0	-40.53	298.39	2.07	-38.46
C=CCSCC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300008216406	0	35	-1.0	-49.57	342.13	3.94	-45.63
C=CCSCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300008216407	0	46	-1.0	-47.61	403.63	6.94	-40.67
O=C([O-])CCCS(=O)(=O)N[C@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300008216408	0	46	-1.0	-50.50	389.07	6.65	-43.85
O=C([O-])CCCS(=O)(=O)N[C@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300008216409	0	46	-1.0	-50.50	389.07	6.65	-43.85
O=C([O-])C1(S(=O)(=O)N[C@H]2CC3(CCCC3)OC3=CC=C(Cl)C=C32)CCC1	REAL300008216410	0	47	-1.0	-46.66	379.83	6.92	-39.74
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@H]2CC3(CCCC3)OC3=CC=C(Cl)C=C32)C1	REAL300008216411	0	47	-1.0	-52.77	391.34	6.88	-45.89
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N[C@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300008216412	0	47	-1.0	-52.40	400.31	7.13	-45.27
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N[C@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300008216413	0	47	-1.0	-55.85	383.84	7.50	-48.35
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008216414	0	36	-1.0	-47.99	312.99	6.08	-41.91
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008216415	0	36	-1.0	-51.61	313.84	6.03	-45.58
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216416	0	39	-1.0	-56.48	321.10	6.50	-49.98
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216417	0	40	-1.0	-54.95	336.01	5.92	-49.03
CC1=CC=C(S(=O)(=O)N(C)C2CCSCC2)C=C1C(=O)[O-]	REAL300008216418	0	39	-1.0	-51.87	329.86	6.57	-45.30
CN(C1CCSCC1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008216419	0	33	-1.0	-60.87	297.58	5.69	-55.18
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008216420	0	36	-1.0	-51.61	313.84	6.03	-45.58
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008216421	0	36	-1.0	-47.99	312.99	6.08	-41.91
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008216422	0	36	-1.0	-66.04	302.57	7.04	-59.00
CN(C1CCSCC1)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008216423	0	34	-1.0	-50.38	302.37	3.76	-46.62
CN(C1CCSCC1)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008216424	0	36	-1.0	-48.48	318.40	4.16	-44.32
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008216425	0	33	-1.0	-46.80	306.12	5.16	-41.64
CN(C1CCSCC1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008216426	0	33	-1.0	-50.54	286.92	2.92	-47.62
CN(C1CCSCC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008216427	0	41	-1.0	-47.16	327.86	5.05	-42.11
CN(C1CCSCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008216428	0	41	-1.0	-51.04	330.01	5.22	-45.82
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008216429	0	36	-1.0	-66.04	302.57	7.04	-59.00
CN(C1CCSCC1)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008216430	0	36	-1.0	-57.44	319.29	7.55	-49.89
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008216431	0	33	-1.0	-48.64	298.60	4.40	-44.24
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)C2CCSCC2)O1	REAL300008216432	0	36	-1.0	-49.01	316.83	4.86	-44.15
CN(C1CCSCC1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008216433	0	38	-1.0	-57.76	313.55	5.18	-52.58
CN(C1CCSCC1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008216434	0	39	-1.0	-57.28	337.67	6.79	-50.49
CN(C1CCSCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008216435	0	41	-1.0	-51.04	330.01	5.22	-45.82
CN(C1CCSCC1)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008216436	0	39	-1.0	-59.05	336.75	6.82	-52.23
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008216437	0	33	-1.0	-48.64	298.60	4.40	-44.24
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008216438	0	40	-1.0	-47.73	344.11	6.37	-41.36
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216439	0	40	-1.0	-43.90	346.94	7.00	-36.90
CN(C1CCSCC1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008216440	0	33	-1.0	-49.02	307.03	5.05	-43.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2CCSCC2)=C1C	REAL300008216441	0	42	-1.0	-56.06	334.79	6.86	-49.20
CC1=CC=CC(S(=O)(=O)N(C)C2CCSCC2)=C1C(=O)[O-]	REAL300008216442	0	39	-1.0	-70.36	328.45	7.01	-63.35
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2CCSCC2)=C1	REAL300008216443	0	43	-1.0	-52.72	368.90	5.74	-46.98
CN(C1CCSCC1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008216444	0	33	-1.0	-50.57	305.49	5.07	-45.50
CN(C1CCSCC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008216445	0	39	-1.0	-55.11	341.53	8.03	-47.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216446	0	39	-1.0	-48.01	316.54	6.40	-41.61
CN(C1CCSCC1)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008216447	0	39	-1.0	-53.19	334.46	8.01	-45.18
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008216448	0	39	-1.0	-48.26	336.03	6.83	-41.43
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)C2CCSCC2)C=C1[N+](=O)[O-]	REAL300008216449	0	41	-1.0	-41.99	352.09	7.06	-34.93
CN(C1CCSCC1)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008216450	0	33	-1.0	-48.47	298.84	4.14	-44.33
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008216451	0	39	-1.0	-51.39	336.03	6.80	-44.59
CC1=C(S(=O)(=O)N(C)C2CCSCC2)C=C(C(=O)[O-])O1	REAL300008216452	0	36	-1.0	-53.27	309.98	4.96	-48.31
CN(C1CCSCC1)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008216453	0	35	-1.0	-46.45	309.02	4.22	-42.23
CN(C1CCSCC1)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008216454	0	32	-1.0	-65.28	293.85	4.19	-61.09
CN(C1CCSCC1)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008216455	0	32	-1.0	-54.48	290.26	3.53	-50.95
CN(C1CCSCC1)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008216456	0	35	-1.0	-68.38	297.65	5.34	-63.04
CN(C1CCSCC1)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008216457	0	41	-1.0	-52.51	342.90	6.25	-46.26
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008216458	0	35	-1.0	-50.05	309.70	4.25	-45.80
CN(C1CCSCC1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008216459	0	36	-1.0	-46.85	330.57	6.54	-40.31
CN(C1CCSCC1)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008216460	0	36	-1.0	-46.98	335.13	6.64	-40.34
COC1=CC=C(S(=O)(=O)N(C)C2CCSCC2)C=C1C(=O)[O-]	REAL300008216461	0	40	-1.0	-57.33	341.13	6.12	-51.21
CC1=CC(S(=O)(=O)N(C)C2CCSCC2)=CC=C1C(=O)[O-]	REAL300008216462	0	39	-1.0	-47.37	329.85	6.58	-40.79
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008216463	0	41	-1.0	-56.09	343.83	6.50	-49.59
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2CCSCC2)=C1	REAL300008216464	0	43	-1.0	-52.72	368.90	5.74	-46.98
CN(C1CCSCC1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008216465	0	36	-1.0	-46.85	330.57	6.54	-40.31
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216466	0	36	-1.0	-50.91	307.80	6.34	-44.57
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216467	0	39	-1.0	-50.85	334.94	6.93	-43.92
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N(C)C3CCSCC3)C=C21	REAL300008216468	0	42	-1.0	-50.71	360.79	7.38	-43.33
CN(C1CCSCC1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008216469	0	39	-1.0	-57.28	337.67	6.79	-50.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216470	0	40	-1.0	-54.95	336.01	5.92	-49.03
CC1=CC=C(S(=O)(=O)N(C)C2CCSCC2)C=C1C(=O)[O-]	REAL300008216471	0	39	-1.0	-51.87	329.86	6.57	-45.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216472	0	39	-1.0	-56.48	321.10	6.50	-49.98
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216473	0	40	-1.0	-45.44	342.21	6.16	-39.28
CN(C1CCSCC1)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008216474	0	39	-1.0	-46.13	324.45	5.93	-40.20
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008216475	0	39	-1.0	-51.39	336.03	6.80	-44.59
COC1=C(S(=O)(=O)N(C)C2CCSCC2)SC(C(=O)[O-])=C1	REAL300008216476	0	37	-1.0	-47.10	332.36	4.44	-42.66
CN(C1CCSCC1)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008216477	0	41	-1.0	-48.57	350.66	6.69	-41.88
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008216478	0	39	-1.0	-46.57	343.96	6.84	-39.73
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008216479	0	43	-1.0	-49.06	356.98	7.89	-41.17
CCC1=C(S(=O)(=O)N(C)C2CCSCC2)C=C(C(=O)[O-])O1	REAL300008216480	0	39	-1.0	-51.58	329.73	5.56	-46.02
CN(C1CCSCC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008216481	0	38	-1.0	-59.74	331.07	7.71	-52.03
CN(C1CCSCC1)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008216482	0	39	-1.0	-50.32	351.72	7.54	-42.78
CN(C1CCSCC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008216483	0	38	-1.0	-50.34	330.52	7.71	-42.63
CC1=NC=C(S(=O)(=O)N(C)C2CCSCC2)C=C1C(=O)[O-]	REAL300008216484	0	38	-1.0	-46.46	328.93	4.83	-41.63
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216485	0	40	-1.0	-47.80	336.05	5.92	-41.88
COC1=CC(S(=O)(=O)N(C)C2CCSCC2)=CC=C1C(=O)[O-]	REAL300008216486	0	40	-1.0	-53.34	341.12	6.13	-47.21
COC1=CC=C(S(=O)(=O)N(C)C2CCSCC2)C(CC(=O)[O-])=C1	REAL300008216487	0	43	-1.0	-63.79	354.94	6.35	-57.44
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008216488	0	39	-1.0	-49.96	341.47	6.87	-43.09
CN(C1CCSCC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008216489	0	39	-1.0	-45.03	352.56	7.02	-38.01
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008216490	0	45	-1.0	-49.22	366.19	7.72	-41.50
CN(C1CCSCC1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008216491	0	36	-1.0	-49.52	301.72	4.26	-45.26
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008216492	0	42	-1.0	-53.29	346.87	8.31	-44.98
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)C2CCSCC2)=C1	REAL300008216493	0	36	-1.0	-49.72	316.57	4.99	-44.73
CN(C1CCSCC1)S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008216494	0	36	-1.0	-57.34	323.87	7.66	-49.68
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008216495	0	36	-1.0	-49.63	326.36	6.45	-43.18
CN(C1CCSCC1)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008216496	0	33	-1.0	-60.33	295.00	4.44	-55.89
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)C2CCSCC2)=C1	REAL300008216497	0	40	-1.0	-62.00	331.96	6.36	-55.64
CN(C1CCSCC1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008216498	0	33	-1.0	-50.54	286.92	2.92	-47.62
CN(C1CCSCC1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008216499	0	36	-1.0	-49.52	301.72	4.26	-45.26
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008216500	0	38	-2.0	-133.68	340.71	7.01	-126.67
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216501	0	43	-1.0	-46.56	358.70	6.11	-40.45
CN(C1CCSCC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008216502	0	35	-1.0	-49.70	310.83	4.12	-45.58
CN(C1CCSCC1)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008216503	0	39	-1.0	-55.17	326.70	7.21	-47.96
CN(C1CCSCC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008216504	0	33	-1.0	-45.33	313.50	4.68	-40.65
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008216505	0	42	-1.0	-51.08	341.53	7.89	-43.19
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CCSCC1	REAL300008216506	0	43	-1.0	-54.47	357.25	6.82	-47.65
COC1=CC=C(S(=O)(=O)N(C)C2CCSCC2)C(C(=O)[O-])=C1	REAL300008216507	0	40	-1.0	-66.81	332.00	6.34	-60.47
CN(C1CCSCC1)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008216508	0	35	-1.0	-53.69	309.92	4.27	-49.42
CN(C1CCSCC1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008216509	0	33	-1.0	-44.05	297.49	2.27	-41.78
CN(C1CCSCC1)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008216510	0	36	-1.0	-53.70	312.56	3.69	-50.01
CN(C1CCSCC1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008216511	0	42	-1.0	-51.35	359.74	8.29	-43.06
CN(C1CCSCC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008216512	0	39	-1.0	-54.49	313.20	5.44	-49.05
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)C2CCSCC2)S1	REAL300008216513	0	36	-1.0	-48.91	323.92	5.71	-43.20
CN(C1CCSCC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008216514	0	42	-1.0	-69.74	348.43	9.29	-60.45
CN(C1CCSCC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008216515	0	39	-1.0	-41.34	337.80	7.41	-33.93
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008216516	0	39	-1.0	-62.83	325.61	7.05	-55.78
CN(C1CCSCC1)S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008216517	0	36	-1.0	-47.74	343.57	6.61	-41.13
CN(C1CCSCC1)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008216518	0	39	-1.0	-66.15	340.18	4.67	-61.48
CN(C1CCSCC1)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008216519	0	39	-1.0	-44.40	340.44	7.28	-37.12
CN(C1CCSCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008216520	0	41	-1.0	-50.20	313.42	5.59	-44.61
CN(C1CCSCC1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008216521	0	33	-1.0	-44.05	297.49	2.27	-41.78
CN(C1CCSCC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008216522	0	38	-1.0	-58.51	313.18	5.19	-53.32
CN(C1CCSCC1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008216523	0	33	-1.0	-50.54	286.92	2.92	-47.62
CN(C1CCSCC1)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008216524	0	33	-1.0	-54.19	315.20	6.31	-47.88
CC1=CC(S(=O)(=O)N(C)C2CCSCC2)=CN=C1C(=O)[O-]	REAL300008216525	0	38	-1.0	-50.35	326.45	4.77	-45.58
CN(C1CCSCC1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008216526	0	39	-1.0	-62.83	325.61	7.05	-55.78
CCOC1=CC=C(S(=O)(=O)N(C)C2CCSCC2)C=C1C(=O)[O-]	REAL300008216527	0	43	-1.0	-58.53	362.99	7.03	-51.50
CN(C1CCSCC1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008216528	0	43	-1.0	-51.92	359.30	7.92	-44.00
CN(C1CCSCC1)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008216529	0	35	-1.0	-57.45	296.18	5.21	-52.24
CN(C1CCSCC1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008216530	0	41	-1.0	-54.63	355.60	6.43	-48.20
O=C([O-])CCCS(=O)(=O)N[C@@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300008216531	0	46	-1.0	-53.11	390.69	6.57	-46.54
O=C([O-])CCCS(=O)(=O)N[C@@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300008216532	0	46	-1.0	-53.11	390.69	6.57	-46.54
O=C([O-])C1(S(=O)(=O)N[C@@H]2CC3(CCCC3)OC3=CC=C(Cl)C=C32)CCC1	REAL300008216533	0	47	-1.0	-43.27	385.90	7.05	-36.22
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H]2CC3(CCCC3)OC3=CC=C(Cl)C=C32)C1	REAL300008216534	0	47	-1.0	-54.54	393.86	7.11	-47.43
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300008216535	0	47	-1.0	-55.21	401.30	7.27	-47.94
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N[C@@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300008216536	0	47	-1.0	-60.71	384.05	7.69	-53.02
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1	REAL300008216537	0	42	-1.0	-45.14	362.42	5.99	-39.15
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300008216538	0	42	-1.0	-46.09	369.88	6.00	-40.09
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216539	0	47	-1.0	-54.36	404.71	6.39	-47.97
CN(C)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216540	0	40	-1.0	-42.63	340.89	3.48	-39.15
CCCCN(C)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216541	0	49	-1.0	-56.66	402.90	6.38	-50.28
CCCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216542	0	44	-1.0	-43.25	368.46	5.22	-38.03
CCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216543	0	38	-1.0	-43.21	325.46	3.65	-39.56
CCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216544	0	41	-1.0	-43.31	346.96	4.44	-38.87
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CS1	REAL300008216545	0	39	-1.0	-43.61	355.98	5.04	-38.57
CC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300008216546	0	42	-1.0	-44.42	377.86	5.84	-38.58
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300008216547	0	39	-1.0	-41.01	373.26	5.63	-35.38
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216548	0	49	-1.0	-48.84	406.45	6.78	-42.06
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)N1CCOCC1	REAL300008216549	0	45	-1.0	-55.36	367.10	3.20	-52.16
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216550	0	45	-1.0	-53.96	396.14	8.07	-45.89
CN1C=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300008216551	0	42	-1.0	-45.76	368.62	3.67	-42.09
CCN(CC)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216552	0	46	-1.0	-57.41	381.50	5.73	-51.68
CN(C1CCCCC1)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216553	0	53	-1.0	-57.12	416.32	7.12	-50.00
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216554	0	48	-1.0	-50.36	400.15	4.96	-45.40
CCC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216555	0	48	-1.0	-45.43	405.32	7.44	-37.99
CC1=NNC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216556	0	42	-1.0	-55.20	365.13	3.83	-51.37
CC1=CC(F)=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216557	0	45	-1.0	-46.18	391.27	6.72	-39.46
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCC1CC1	REAL300008216558	0	45	-1.0	-43.47	377.91	6.06	-37.41
COCC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216559	0	49	-1.0	-45.79	418.55	5.67	-40.12
CCOC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300008216560	0	48	-1.0	-44.60	412.53	3.60	-41.00
CS(=O)(=O)CCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216561	0	47	-1.0	-51.56	410.59	2.00	-49.56
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1=NOC=C1	REAL300008216562	0	41	-1.0	-50.10	359.69	4.02	-46.08
CC1=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=NN1C	REAL300008216563	0	45	-1.0	-59.14	385.27	4.99	-54.15
CN(C1CCOCC1)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216564	0	51	-1.0	-56.83	407.09	4.77	-52.06
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)N1CC2CCC1C2	REAL300008216565	0	48	-1.0	-59.03	389.11	6.29	-52.74
CCN1N=C(C)C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1C	REAL300008216566	0	51	-1.0	-50.23	421.99	5.83	-44.40
CC(C)N1C=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300008216567	0	48	-1.0	-46.55	408.84	5.05	-41.50
CC(C)CN1C=NC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216568	0	51	-1.0	-52.67	429.44	7.28	-45.39
CC(C)N1C=NC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216569	0	48	-1.0	-49.37	409.89	6.38	-42.99
CC(C)C1=NC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=CN1	REAL300008216570	0	48	-1.0	-59.02	407.13	5.03	-53.99
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1CCCOC1	REAL300008216571	0	49	-1.0	-43.75	396.11	4.66	-39.09
CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216572	0	45	-1.0	-54.39	384.60	7.59	-46.80
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008216573	0	45	-1.0	-46.45	395.71	6.82	-39.63
COCCC(C)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216574	0	48	-1.0	-49.19	392.31	5.35	-43.84
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216575	0	46	-1.0	-47.32	391.46	6.18	-41.14
CCC(C)CS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216576	0	47	-1.0	-43.50	381.37	5.77	-37.73
CCN(CC1CC1)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216577	0	50	-1.0	-41.22	399.51	6.45	-34.77
CCCN1C=NC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216578	0	48	-1.0	-48.09	411.84	6.66	-41.43
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCOCC1CC1	REAL300008216579	0	49	-1.0	-45.83	412.66	5.27	-40.56
COCC(C)CS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216580	0	48	-1.0	-42.83	396.08	4.22	-38.61
CCOCC(C)CS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216581	0	51	-1.0	-42.88	417.93	5.20	-37.68
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216582	0	51	-1.0	-59.33	408.90	8.63	-50.70
CCOC1=CC=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216583	0	49	-1.0	-49.04	414.80	6.21	-42.83
COCCN1C=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300008216584	0	49	-1.0	-48.30	423.86	3.58	-44.72
CC(C)(C)CCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216585	0	50	-1.0	-43.57	402.19	6.17	-37.40
CC1CCN(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300008216586	0	47	-1.0	-43.68	384.18	5.07	-38.61
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216587	0	49	-1.0	-55.86	407.29	6.81	-49.05
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216588	0	46	-1.0	-61.37	400.09	7.92	-53.45
CCC1=CC=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216589	0	48	-1.0	-45.84	406.35	7.42	-38.42
CCC1=CC=C(CS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216590	0	51	-1.0	-46.05	427.95	8.09	-37.96
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCC1=CC=CS1	REAL300008216591	0	45	-1.0	-44.35	396.79	6.52	-37.83
CC1=CC=C(CS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1C	REAL300008216592	0	51	-1.0	-47.08	423.48	7.85	-39.23
CC(C)CN(C)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216593	0	49	-1.0	-57.04	391.03	5.86	-51.18
CCN(C)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216594	0	43	-1.0	-56.85	359.88	4.84	-52.01
CN(C1CCCC1)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216595	0	50	-1.0	-56.85	397.67	6.52	-50.33
CCCN(C)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216596	0	46	-1.0	-56.69	381.38	5.60	-51.09
CC1(C)CN(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])CCO1	REAL300008216597	0	51	-1.0	-44.44	409.59	4.41	-40.03
CC1=NOC(CS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216598	0	44	-1.0	-45.68	381.63	4.89	-40.79
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCC1CCCO1	REAL300008216599	0	49	-1.0	-46.62	403.64	4.75	-41.87
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008216600	0	47	-1.0	-61.28	402.23	3.68	-57.60
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCOCC1CCCC1	REAL300008216601	0	55	-1.0	-45.67	446.35	6.42	-39.25
COC(C)CS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216602	0	45	-1.0	-43.98	378.60	3.57	-40.41
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008216603	0	49	-1.0	-58.83	398.91	7.12	-51.71
CC1(CS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])CCCCC1	REAL300008216604	0	54	-1.0	-44.13	411.32	7.45	-36.68
CN1N=NC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216605	0	41	-1.0	-47.66	355.30	2.32	-45.34
CC1=CC=C(CS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C(F)=C1	REAL300008216606	0	48	-1.0	-47.39	411.43	7.44	-39.95
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCC1CCC1	REAL300008216607	0	48	-1.0	-43.64	394.88	6.48	-37.16
CC(C)(C)CCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216608	0	53	-1.0	-43.24	423.69	6.91	-36.33
CC1=C(CCS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])SC=N1	REAL300008216609	0	47	-1.0	-45.82	410.53	5.16	-40.66
COCC1(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300008216610	0	46	-1.0	-43.28	371.75	5.77	-37.51
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC12CCC(CC1)C2	REAL300008216611	0	52	-1.0	-44.40	410.62	7.34	-37.06
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1CC(F)(F)C1	REAL300008216612	0	45	-1.0	-41.79	387.21	5.90	-35.89
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC12CCC(CC1)CC2	REAL300008216613	0	55	-1.0	-44.30	419.20	7.95	-36.35
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCC1CCOC1	REAL300008216614	0	49	-1.0	-45.35	400.91	4.48	-40.87
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008216615	0	49	-1.0	-46.57	412.65	8.05	-38.52
CN1C=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300008216616	0	42	-1.0	-52.13	364.77	3.93	-48.20
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008216617	0	42	-1.0	-42.75	380.20	6.46	-36.29
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008216618	0	44	-1.0	-42.64	391.70	6.61	-36.03
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008216619	0	48	-1.0	-48.31	409.30	8.26	-40.05
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008216620	0	44	-1.0	-49.07	391.67	6.65	-42.42
COC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216621	0	46	-1.0	-46.50	393.00	5.24	-41.26
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008216622	0	44	-1.0	-49.63	372.54	7.62	-42.01
CC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216623	0	45	-1.0	-45.76	384.88	6.61	-39.15
CCOC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216624	0	49	-1.0	-45.48	414.81	6.16	-39.32
CCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216625	0	38	-1.0	-43.21	325.46	3.65	-39.56
CC1=CC(C)=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C(C)=C1	REAL300008216626	0	51	-1.0	-45.41	409.79	8.04	-37.37
CC1=CC=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216627	0	45	-1.0	-45.81	384.89	6.60	-39.21
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C=CC1=CC=CC=C1	REAL300008216628	0	46	-1.0	-46.91	397.57	7.26	-39.65
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008216629	0	42	-1.0	-45.00	380.20	6.46	-38.54
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216630	0	47	-1.0	-49.81	406.19	6.43	-43.38
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216631	0	48	-1.0	-58.08	400.80	8.22	-49.86
CC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1C	REAL300008216632	0	48	-1.0	-46.63	401.87	7.19	-39.44
CC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C(C)=C1	REAL300008216633	0	48	-1.0	-57.71	400.82	8.23	-49.48
CC(C)C1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216634	0	51	-1.0	-45.72	423.71	7.87	-37.85
CCCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216635	0	44	-1.0	-43.25	368.46	5.22	-38.03
CCCC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216636	0	51	-1.0	-45.36	427.91	8.17	-37.19
COC1=CC=CC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216637	0	46	-1.0	-48.24	385.40	6.10	-42.14
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC=C1	REAL300008216638	0	45	-1.0	-46.37	385.36	6.68	-39.69
CC1=NNC(C)=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216639	0	45	-1.0	-44.62	378.20	3.72	-40.90
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008216640	0	49	-1.0	-46.89	408.98	7.89	-39.00
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216641	0	44	-1.0	-44.00	377.18	4.85	-39.15
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008216642	0	47	-1.0	-46.90	399.39	5.83	-41.07
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)N1CCCCCC1	REAL300008216643	0	50	-1.0	-43.26	393.90	6.25	-37.01
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)N1CCCCC1	REAL300008216644	0	47	-1.0	-56.32	374.89	5.61	-50.71
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)N1CCCC1	REAL300008216645	0	44	-1.0	-57.58	367.92	5.15	-52.43
CC1CCN(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300008216646	0	50	-1.0	-43.70	401.57	5.99	-37.71
CC1CC(C)CN(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300008216647	0	53	-1.0	-58.42	407.79	6.99	-51.43
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008216648	0	48	-1.0	-60.19	406.34	9.06	-51.13
CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216649	0	45	-1.0	-57.49	385.79	7.62	-49.87
COC1=CC=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216650	0	46	-1.0	-48.88	392.97	5.23	-43.65
CC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1Cl	REAL300008216651	0	45	-1.0	-45.73	398.92	7.09	-38.64
CCC1=CC=CC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216652	0	48	-1.0	-45.37	386.19	7.77	-37.60
CC1=CC=CC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216653	0	45	-1.0	-57.93	379.41	7.56	-50.37
CC1=NC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=CN1C	REAL300008216654	0	45	-1.0	-49.95	387.63	4.80	-45.15
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008216655	0	45	-1.0	-44.08	402.10	7.19	-36.89
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008216656	0	43	-1.0	-47.87	372.80	4.75	-43.12
COC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1F	REAL300008216657	0	46	-1.0	-44.41	399.16	5.35	-39.06
CC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1F	REAL300008216658	0	45	-1.0	-46.87	390.17	6.68	-40.19
CC1=CC=C(CS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216659	0	48	-1.0	-46.27	407.04	7.34	-38.93
CN1C=NC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216660	0	42	-1.0	-49.34	368.46	5.10	-44.24
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CN=C1	REAL300008216661	0	41	-1.0	-46.86	358.49	4.16	-42.70
CC1CCCCN1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216662	0	50	-1.0	-43.19	395.31	6.02	-37.17
CC(C)N(C)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216663	0	46	-1.0	-57.20	374.43	5.24	-51.96
CCCN(CCC)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216664	0	52	-1.0	-57.40	424.50	7.25	-50.15
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216665	0	45	-1.0	-56.86	396.14	8.08	-48.78
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1CC1	REAL300008216666	0	39	-1.0	-44.76	334.68	4.57	-40.19
COC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1C	REAL300008216667	0	49	-1.0	-46.91	413.08	6.00	-40.91
COC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C(C)=C1	REAL300008216668	0	49	-1.0	-56.45	408.80	6.84	-49.61
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC=C1F	REAL300008216669	0	45	-1.0	-50.16	390.95	6.70	-43.46
CC1=NC(C)=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300008216670	0	44	-1.0	-45.70	388.63	4.53	-41.17
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1CCCC1	REAL300008216671	0	48	-1.0	-43.45	389.50	6.37	-37.08
COC1=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=CC=C1F	REAL300008216672	0	46	-1.0	-44.45	399.16	5.35	-39.10
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CSC=C1	REAL300008216673	0	39	-1.0	-43.56	354.78	4.92	-38.64
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1CCCCC1	REAL300008216674	0	51	-1.0	-43.66	404.32	7.11	-36.55
CN(C1CC1)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216675	0	44	-1.0	-56.34	367.17	5.24	-51.10
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008216676	0	45	-1.0	-57.22	391.39	5.17	-52.05
CC1=CC=CC(CS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216677	0	48	-1.0	-46.40	407.04	7.33	-39.07
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008216678	0	45	-1.0	-44.28	391.78	6.74	-37.54
CC1=CC=CC=C1CS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216679	0	48	-1.0	-46.52	401.51	7.23	-39.29
COCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216680	0	42	-1.0	-45.32	359.13	2.72	-42.60
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008216681	0	47	-1.0	-44.80	399.49	5.25	-39.55
CSC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216682	0	46	-1.0	-46.26	403.70	6.97	-39.29
CCCCCCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216683	0	53	-1.0	-43.25	432.95	7.57	-35.68
CCN1C=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])N=C1C	REAL300008216684	0	48	-1.0	-54.00	403.87	6.72	-47.28
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1CCCO1	REAL300008216685	0	46	-1.0	-45.20	381.95	4.05	-41.15
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1CCCCO1	REAL300008216686	0	49	-1.0	-46.69	398.84	5.35	-41.34
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1CC1	REAL300008216687	0	42	-1.0	-43.82	357.04	5.22	-38.60
COCC1=CC=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216688	0	49	-1.0	-46.63	418.52	5.71	-40.92
CCN1C=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300008216689	0	45	-1.0	-45.82	390.15	4.53	-41.29
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008216690	0	45	-1.0	-48.13	399.09	7.12	-41.01
CC(C1CC1)N(C)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216691	0	50	-1.0	-56.91	406.52	6.72	-50.19
CN1N=CC=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216692	0	42	-1.0	-45.40	365.61	3.70	-41.70
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1CCOC1	REAL300008216693	0	46	-1.0	-43.82	380.50	3.84	-39.98
CCCCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216694	0	47	-1.0	-43.27	389.95	6.01	-37.26
COCCN(C)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216695	0	47	-1.0	-55.60	382.31	3.90	-51.70
CN(CC1CC1)S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216696	0	47	-1.0	-42.98	391.07	5.89	-37.09
CC1=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C(C)O1	REAL300008216697	0	45	-1.0	-57.52	386.84	6.41	-51.11
CC1=CSC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216698	0	42	-1.0	-43.99	377.63	5.71	-38.28
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008216699	0	45	-1.0	-49.12	394.26	6.42	-42.70
O=C([O-])C[C@H](COCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008216699	1	44	-2.0	-134.50	395.36	6.29	-128.21
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008216700	0	45	-1.0	-44.55	389.49	4.64	-39.91
COC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300008216701	0	45	-1.0	-44.50	390.67	2.66	-41.84
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CO1	REAL300008216702	0	39	-1.0	-45.72	347.18	4.01	-41.71
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CN=C2CCCN12	REAL300008216703	0	46	-1.0	-54.19	381.57	5.11	-49.08
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=COC=C1	REAL300008216704	0	39	-1.0	-45.78	346.65	3.90	-41.88
CC1=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])SC=C1	REAL300008216705	0	42	-1.0	-43.18	372.58	5.79	-37.39
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008216706	0	49	-1.0	-45.10	398.42	7.61	-37.49
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1CCOC1	REAL300008216707	0	43	-1.0	-43.56	349.93	2.88	-40.68
C=CCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216708	0	42	-1.0	-43.29	359.77	5.01	-38.28
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CNC=N1	REAL300008216709	0	39	-1.0	-51.44	339.66	4.34	-47.10
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCCF	REAL300008216710	0	41	-1.0	-42.09	353.55	4.58	-37.51
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCCCF	REAL300008216711	0	44	-1.0	-44.28	375.05	5.36	-38.92
CC1=NN(C)C=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216712	0	45	-1.0	-56.36	388.09	5.14	-51.22
CC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300008216713	0	42	-1.0	-46.52	368.73	4.87	-41.65
CC1=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])N(C)N=C1	REAL300008216714	0	45	-1.0	-45.96	380.39	4.49	-41.47
CN(C)C1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216715	0	50	-1.0	-47.65	414.91	6.42	-41.23
C=C(C)CS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216716	0	42	-1.0	-44.00	359.43	4.88	-39.12
COC1=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])SC=C1	REAL300008216717	0	43	-1.0	-54.03	374.73	5.24	-48.79
C=CCCCS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216718	0	45	-1.0	-43.14	381.27	5.79	-37.35
CN(C)C1=CC=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216719	0	50	-1.0	-47.60	414.33	6.37	-41.23
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1CCC1	REAL300008216720	0	45	-1.0	-43.54	373.02	5.80	-37.74
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008216721	0	47	-1.0	-49.60	392.47	6.05	-43.55
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008216722	0	47	-1.0	-50.66	399.24	5.83	-44.83
COC1=CN=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216723	0	45	-1.0	-46.46	388.08	3.45	-43.01
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008216724	0	49	-1.0	-45.84	411.65	8.10	-37.74
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCC1CCCCC1	REAL300008216725	0	54	-1.0	-43.69	427.91	7.63	-36.06
CC1=CC=C(CCS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300008216726	0	51	-1.0	-45.45	428.54	8.12	-37.33
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008216727	0	45	-1.0	-50.00	384.72	6.29	-43.71
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CCC1CCCC1	REAL300008216728	0	51	-1.0	-43.54	411.43	7.03	-36.51
CC1(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300008216729	0	42	-1.0	-49.85	346.23	6.02	-43.83
CC1=C(C)SC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300008216730	0	45	-1.0	-45.22	396.26	6.41	-38.81
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300008216731	0	43	-1.0	-52.85	386.27	4.69	-48.16
CC1=NC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300008216732	0	41	-1.0	-45.98	372.58	3.84	-42.14
CCC1=NC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300008216733	0	44	-1.0	-45.75	394.06	4.59	-41.16
CC1=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C(N)=NO1	REAL300008216734	0	43	-1.0	-47.15	369.79	3.16	-43.99
CC1=C(S(=O)(=O)[N-][C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C(N)=NO1	REAL300008216734	1	42	-2.0	-111.66	366.50	3.10	-108.56
CN(C)C1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300008216735	0	49	-1.0	-47.11	412.26	5.80	-41.31
CC1=CC(C)=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300008216736	0	45	-1.0	-46.54	389.77	6.49	-40.05
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008216737	0	45	-1.0	-59.75	390.97	5.42	-54.33
CC1=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=CC(C)=C1F	REAL300008216738	0	48	-1.0	-44.13	410.53	7.29	-36.84
CC1=CC=C(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300008216739	0	44	-1.0	-44.94	380.11	4.80	-40.14
CC1=NC(CS(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=CS1	REAL300008216740	0	44	-1.0	-47.40	391.29	4.42	-42.98
COC(CS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-])C1CC1	REAL300008216741	0	49	-1.0	-43.53	402.78	5.48	-38.05
O=C([O-])C[C@H](COCC1=CC=CC=C1)NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008216742	0	45	-1.0	-43.22	401.79	7.16	-36.06
CC1=CC(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=CC=C1Cl	REAL300008216743	0	45	-1.0	-43.32	398.95	7.03	-36.29
CCC1(S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300008216744	0	45	-1.0	-41.62	355.71	5.91	-35.71
COC(CS(=O)(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)[O-])C1CCCC1	REAL300008216745	0	55	-1.0	-45.10	436.64	6.31	-38.79
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1C	REAL300008216845	0	35	-1.0	-54.94	318.90	4.16	-50.78
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008216846	0	36	-1.0	-43.07	320.13	2.58	-40.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008216847	0	38	-1.0	-53.73	342.39	-0.55	-54.28
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008216848	0	36	-1.0	-43.20	327.69	1.72	-41.48
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300008216849	0	43	-1.0	-56.44	356.28	2.74	-53.70
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300008216850	0	35	-1.0	-52.22	314.39	4.05	-48.17
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCC1	REAL300008216851	0	43	-1.0	-55.33	336.22	3.13	-52.20
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C)N=C1C	REAL300008216852	0	38	-1.0	-44.97	317.92	0.91	-44.06
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008216853	0	48	-1.0	-43.89	382.51	5.78	-38.11
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008216854	0	38	-1.0	-48.09	326.17	1.11	-46.98
CCC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300008216855	0	38	-1.0	-43.79	324.60	3.37	-40.42
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300008216856	0	32	-1.0	-55.80	299.05	3.52	-52.28
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008216857	0	32	-1.0	-43.10	302.98	2.59	-40.51
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300008216858	0	37	-1.0	-52.20	312.70	4.17	-48.03
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008216859	0	38	-1.0	-43.31	341.53	3.92	-39.39
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008216860	0	42	-1.0	-46.42	362.86	-1.52	-47.94
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300008216861	0	43	-1.0	-46.54	363.95	3.77	-42.77
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300008216862	0	35	-1.0	-44.04	309.15	2.65	-41.39
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008216863	0	38	-1.0	-46.60	326.05	2.44	-44.16
COCC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300008216864	0	39	-1.0	-44.05	336.43	1.65	-42.40
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=N1	REAL300008216865	0	38	-1.0	-42.98	330.76	-0.43	-43.41
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008216866	0	41	-1.0	-54.60	366.75	0.13	-54.47
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300008216867	0	37	-1.0	-49.61	328.53	-2.06	-51.67
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300008216868	0	42	-1.0	-55.57	342.87	3.49	-52.08
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008216869	0	37	-1.0	-46.13	332.24	2.63	-43.50
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008216870	0	35	-1.0	-41.47	324.60	3.26	-38.21
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008216871	0	37	-1.0	-49.12	322.57	2.35	-46.77
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300008216872	0	42	-1.0	-59.86	347.45	-1.85	-61.71
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCOCC1	REAL300008216873	0	41	-1.0	-54.52	325.42	0.60	-53.92
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300008216874	0	41	-1.0	-57.62	355.28	4.15	-53.47
CCN1N=C(C)C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1C	REAL300008216875	0	41	-1.0	-44.97	339.74	1.78	-43.19
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)N=C1	REAL300008216876	0	38	-1.0	-44.96	327.07	1.03	-43.93
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300008216877	0	41	-1.0	-46.52	347.31	3.15	-43.37
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)C=N1	REAL300008216878	0	38	-1.0	-47.30	327.77	2.27	-45.03
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC(C(C)C)=N1	REAL300008216879	0	38	-1.0	-57.66	325.37	1.00	-56.66
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008216880	0	44	-1.0	-43.79	324.72	4.72	-39.07
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008216881	0	40	-1.0	-55.08	348.14	1.36	-53.72
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300008216882	0	40	-1.0	-54.38	354.06	2.59	-51.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300008216883	0	35	-1.0	-43.83	321.19	3.15	-40.68
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C	REAL300008216884	0	35	-1.0	-53.08	302.20	3.70	-49.38
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008216885	0	38	-1.0	-54.10	337.81	5.54	-48.56
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008216886	0	37	-1.0	-49.88	330.69	4.99	-44.89
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008216887	0	36	-1.0	-44.50	327.15	1.60	-42.90
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008216888	0	39	-1.0	-47.18	339.80	3.74	-43.44
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300008216889	0	47	-1.0	-48.46	372.82	2.84	-45.62
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008216890	0	35	-1.0	-44.71	313.89	2.79	-41.92
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300008216891	0	43	-1.0	-47.53	358.69	1.81	-45.72
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1C	REAL300008231001	0	41	-1.0	-48.91	351.13	6.91	-42.00
CC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=C1C	REAL300008231002	0	43	-1.0	-42.51	367.03	7.28	-35.23
CC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)=C1C	REAL300008231003	0	35	-1.0	-48.74	314.47	4.39	-44.35
CC1=CC=CC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1C	REAL300008231004	0	41	-1.0	-51.76	351.63	7.06	-44.70
CC1=C(S(=O)(=O)NCC2=C(C)C(C)=CC=C2)C=C(C(=O)[O-])O1	REAL300008231005	0	38	-1.0	-52.42	334.03	5.40	-47.02
CC1=CC=CC(CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=C1C	REAL300008231006	0	37	-1.0	-46.41	324.64	4.49	-41.92
CC1=CC=CC(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])=C1C	REAL300008231007	0	34	-1.0	-50.84	306.75	4.55	-46.29
CC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)=C1C	REAL300008231008	0	34	-1.0	-61.76	304.61	3.82	-57.94
CC1=CC=CC(CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])=C1C	REAL300008231009	0	37	-1.0	-53.01	312.43	5.23	-47.78
CC1=CC=CC(CNS(=O)(=O)CCCCCC(=O)[O-])=C1C	REAL300008231010	0	43	-1.0	-53.84	357.81	6.44	-47.40
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=C1C	REAL300008231011	0	37	-1.0	-50.60	324.65	4.46	-46.14
CC1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1C	REAL300008231012	0	38	-1.0	-47.29	346.20	6.79	-40.50
CC1=CC=CC(CNS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1C	REAL300008231013	0	38	-1.0	-47.24	350.77	6.89	-40.35
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(C)=C2C)C=C1C(=O)[O-]	REAL300008231014	0	42	-1.0	-57.81	356.75	6.36	-51.45
CC1=CC(S(=O)(=O)NCC2=CC=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300008231015	0	41	-1.0	-47.93	344.79	6.80	-41.13
CC1=CC=CC(CNS(=O)(=O)N(C)CCC(=O)[O-])=C1C	REAL300008231016	0	39	-1.0	-48.43	328.24	4.46	-43.97
CC1=CC=CC(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)=C1C	REAL300008231017	0	43	-1.0	-52.04	362.16	6.71	-45.33
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC(C)=C2C)=C1	REAL300008231018	0	45	-1.0	-53.66	384.54	5.99	-47.67
CC1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1C	REAL300008231019	0	38	-1.0	-47.29	346.20	6.79	-40.50
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=C(C)C(C)=CC=C1	REAL300008231020	0	38	-1.0	-49.52	330.04	6.89	-42.63
CC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1C	REAL300008231021	0	41	-1.0	-49.55	356.99	7.60	-41.95
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3=C(C)C(C)=CC=C3)C=C21	REAL300008231022	0	44	-1.0	-51.23	376.40	7.63	-43.60
CC1=CC=CC(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300008231023	0	41	-1.0	-58.52	353.25	7.01	-51.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(C)=C1C	REAL300008231024	0	42	-1.0	-54.79	349.86	6.12	-48.67
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(C)=C2C)C=C1C(=O)[O-]	REAL300008231025	0	41	-1.0	-53.62	349.55	6.94	-46.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(C)=C1C	REAL300008231026	0	41	-1.0	-55.29	343.18	7.17	-48.12
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(C)=C1C	REAL300008231027	0	42	-1.0	-45.53	363.61	6.33	-39.20
CC1=CC=CC(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)=C1C	REAL300008231028	0	41	-1.0	-47.37	339.35	6.13	-41.24
CC1=CC=CC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1C	REAL300008231029	0	41	-1.0	-51.76	351.63	7.06	-44.70
COC1=C(S(=O)(=O)NCC2=CC=CC(C)=C2C)SC(C(=O)[O-])=C1	REAL300008231030	0	39	-1.0	-47.01	347.69	4.56	-42.45
CC1=CC=CC(CNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)=C1C	REAL300008231031	0	43	-1.0	-49.31	366.29	6.94	-42.37
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1C	REAL300008231032	0	41	-1.0	-47.32	358.90	7.06	-40.26
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1C	REAL300008231033	0	45	-1.0	-52.90	375.09	8.02	-44.88
CCC1=C(S(=O)(=O)NCC2=CC=CC(C)=C2C)C=C(C(=O)[O-])O1	REAL300008231034	0	41	-1.0	-52.00	353.37	6.21	-45.79
CC1=CC=CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1C	REAL300008231035	0	40	-1.0	-44.34	346.49	7.82	-36.52
CC1=CC=CC(CNS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)=C1C	REAL300008231036	0	41	-1.0	-51.31	367.34	7.78	-43.53
CC1=CC=CC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=C1C	REAL300008231037	0	40	-1.0	-39.25	345.58	7.78	-31.47
CC1=CC=CC(CNS(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)=C1C	REAL300008231038	0	40	-1.0	-47.08	344.56	5.08	-42.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=CC(C)=C1C	REAL300008231039	0	42	-1.0	-48.20	349.89	6.12	-42.08
COC1=CC(S(=O)(=O)NCC2=CC=CC(C)=C2C)=CC=C1C(=O)[O-]	REAL300008231040	0	42	-1.0	-53.78	356.75	6.36	-47.42
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(C)=C2C)C(CC(=O)[O-])=C1	REAL300008231041	0	45	-1.0	-57.67	369.71	6.79	-50.88
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=C1C	REAL300008231042	0	41	-1.0	-50.81	357.05	7.10	-43.71
CC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1C	REAL300008231043	0	41	-1.0	-46.10	368.52	7.29	-38.81
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1C	REAL300008231044	0	47	-1.0	-49.89	382.12	7.77	-42.12
CC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=C1C	REAL300008231045	0	38	-1.0	-50.95	321.37	4.61	-46.34
CC1=CC=CC(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)=C1C	REAL300008231046	0	44	-1.0	-50.33	365.66	8.50	-41.83
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=CC=CC(C)=C2C)=C1	REAL300008231047	0	38	-1.0	-49.90	332.18	5.25	-44.65
CC1=CC=CC(CNS(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])=C1C	REAL300008231048	0	38	-1.0	-44.01	338.79	7.75	-36.26
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1C	REAL300008231049	0	38	-1.0	-50.18	341.29	6.64	-43.54
CC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)=C1C	REAL300008231050	0	35	-1.0	-53.35	306.00	5.10	-48.25
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC=CC(C)=C2C)=C1	REAL300008231051	0	42	-1.0	-48.78	347.69	6.46	-42.32
CC1=CC=CC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])=C1C	REAL300008231052	0	35	-1.0	-52.19	305.57	3.32	-48.87
CC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=C1C	REAL300008231053	0	38	-1.0	-50.95	321.37	4.61	-46.34
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300008231054	0	40	-2.0	-134.62	356.34	7.25	-127.37
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(C)=C1C	REAL300008231055	0	45	-1.0	-52.82	373.10	6.35	-46.47
CC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1C	REAL300008231056	0	37	-1.0	-47.31	325.68	4.40	-42.91
CC1=CC=CC(CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])=C1C	REAL300008231057	0	41	-1.0	-56.14	343.22	7.43	-48.71
CC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1C	REAL300008231058	0	35	-1.0	-45.55	329.12	4.93	-40.62
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)=C1C	REAL300008231059	0	44	-1.0	-50.41	364.65	8.49	-41.92
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(C)=C1C	REAL300008231060	0	45	-1.0	-54.28	371.04	7.01	-47.27
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(C)=C2C)C(C(=O)[O-])=C1	REAL300008231061	0	42	-1.0	-51.02	347.69	6.45	-44.57
CC1=CC=CC(CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)=C1C	REAL300008231062	0	37	-1.0	-54.93	325.54	4.50	-50.43
CC1=CC=CC(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)=C1C	REAL300008231063	0	35	-1.0	-43.54	312.95	2.53	-41.01
CC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)=C1C	REAL300008231064	0	38	-1.0	-53.87	330.30	4.00	-49.87
CC1=CC=CC(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)=C1C	REAL300008231065	0	44	-1.0	-52.05	375.36	8.54	-43.51
CC1=CC=CC(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=C1C	REAL300008231066	0	41	-1.0	-55.41	335.85	5.79	-49.62
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=C(C)C(C)=CC=C2)S1	REAL300008231067	0	38	-1.0	-49.16	339.54	5.97	-43.19
CC1=CC=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1C	REAL300008231068	0	44	-1.0	-53.13	363.89	9.43	-43.70
CC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)=C1C	REAL300008231069	0	41	-1.0	-46.01	349.80	7.67	-38.34
CC1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=C1C	REAL300008231070	0	41	-1.0	-56.96	341.21	7.44	-49.52
CC1=CC=CC(CNS(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)=C1C	REAL300008231071	0	38	-1.0	-48.26	359.20	6.87	-41.39
CC1=CC=CC(CNS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)=C1C	REAL300008231072	0	41	-1.0	-65.92	355.80	4.91	-61.01
CC1=CC=CC(CNS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)=C1C	REAL300008231073	0	41	-1.0	-45.02	356.06	7.52	-37.50
CC1=CC=CC(CNS(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300008231074	0	43	-1.0	-49.96	335.26	6.31	-43.65
CC1=CC=CC(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)=C1C	REAL300008231075	0	35	-1.0	-43.54	312.95	2.53	-41.01
CC1=CC=CC(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1C	REAL300008231076	0	40	-1.0	-58.39	328.59	5.41	-52.98
CC1=CC=CC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])=C1C	REAL300008231077	0	35	-1.0	-52.19	305.57	3.32	-48.87
CC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=C1C	REAL300008231078	0	35	-1.0	-41.88	329.40	6.68	-35.20
CC1=CC(S(=O)(=O)NCC2=CC=CC(C)=C2C)=CN=C1C(=O)[O-]	REAL300008231079	0	40	-1.0	-50.98	341.86	5.04	-45.94
CC1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=C1C	REAL300008231080	0	41	-1.0	-56.96	341.21	7.44	-49.52
CCOC1=CC=C(S(=O)(=O)NCC2=CC=CC(C)=C2C)C=C1C(=O)[O-]	REAL300008231081	0	45	-1.0	-58.82	377.92	7.23	-51.59
CC1=CC=CC(CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1C	REAL300008231082	0	45	-1.0	-52.33	374.91	8.18	-44.15
CC1=CC=CC(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])=C1C	REAL300008231083	0	37	-1.0	-44.60	313.93	5.35	-39.25
CC1=CC=CC(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)=C1C	REAL300008231084	0	43	-1.0	-55.39	371.22	6.66	-48.73
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1	REAL300008231085	0	43	-1.0	-48.63	360.40	8.54	-40.09
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231086	0	43	-1.0	-54.68	360.43	8.53	-46.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231087	0	46	-1.0	-58.05	367.78	9.05	-49.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231088	0	47	-1.0	-55.49	383.70	8.42	-47.07
CC1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1C(=O)[O-]	REAL300008231089	0	46	-1.0	-54.21	376.43	9.06	-45.15
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=CS1	REAL300008231090	0	40	-1.0	-62.29	342.30	8.11	-54.18
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231091	0	43	-1.0	-54.68	360.43	8.53	-46.15
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1	REAL300008231092	0	43	-1.0	-48.63	360.40	8.54	-40.09
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231093	0	43	-1.0	-67.60	347.41	9.50	-58.10
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=CN1	REAL300008231094	0	41	-1.0	-52.17	348.94	6.27	-45.90
O=C([O-])CN1C=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=N1	REAL300008231095	0	43	-1.0	-49.67	364.97	6.67	-43.00
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)S1	REAL300008231096	0	40	-1.0	-48.16	352.68	7.67	-40.49
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231097	0	40	-1.0	-58.19	337.58	5.50	-52.69
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C1	REAL300008231098	0	48	-1.0	-50.47	375.50	7.57	-42.90
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)CC1	REAL300008231099	0	48	-1.0	-51.48	377.00	7.69	-43.79
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231100	0	43	-1.0	-67.60	347.41	9.50	-58.10
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231101	0	43	-1.0	-58.86	364.23	9.99	-48.87
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)O1	REAL300008231102	0	40	-1.0	-51.01	344.10	6.91	-44.10
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)O1	REAL300008231103	0	43	-1.0	-50.10	364.51	7.46	-42.64
O=C([O-])CCCS(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231104	0	42	-1.0	-53.39	345.21	7.19	-46.20
O=C([O-])C1CCCN1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231105	0	45	-1.0	-61.10	360.31	7.54	-53.56
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1	REAL300008231106	0	46	-1.0	-58.12	384.23	9.28	-48.84
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)CC1	REAL300008231107	0	48	-1.0	-51.48	377.00	7.69	-43.79
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231108	0	46	-1.0	-61.00	384.23	9.26	-51.74
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)O1	REAL300008231109	0	40	-1.0	-51.01	344.10	6.91	-44.10
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1	REAL300008231110	0	47	-1.0	-48.30	391.47	8.82	-39.48
O=C([O-])CCCS(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231111	0	42	-1.0	-53.39	345.21	7.19	-46.20
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231112	0	40	-1.0	-49.19	353.61	7.56	-41.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1C	REAL300008231113	0	49	-1.0	-59.65	384.36	9.59	-50.06
CC1=CC=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1C(=O)[O-]	REAL300008231114	0	46	-1.0	-71.75	373.26	9.47	-62.28
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=CS1	REAL300008231115	0	40	-1.0	-52.46	352.08	7.58	-44.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231116	0	46	-1.0	-48.53	362.56	8.91	-39.62
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1	REAL300008231117	0	46	-1.0	-49.06	382.57	9.32	-39.74
O=C([O-])C1=COC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231118	0	40	-1.0	-49.12	345.43	6.66	-42.46
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231119	0	46	-1.0	-50.86	382.59	9.30	-41.56
CC1=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C(C(=O)[O-])O1	REAL300008231120	0	43	-1.0	-52.05	355.77	7.38	-44.67
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231121	0	42	-1.0	-48.29	355.58	6.73	-41.56
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231122	0	39	-1.0	-65.97	337.87	6.62	-59.35
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)SC=N1	REAL300008231123	0	39	-1.0	-65.85	338.29	6.20	-59.65
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231124	0	42	-1.0	-70.25	344.49	7.65	-62.60
O=C([O-])CCCCCS(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231125	0	48	-1.0	-54.40	388.21	8.75	-45.65
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=N1	REAL300008231126	0	42	-1.0	-50.49	356.26	6.75	-43.74
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231127	0	43	-1.0	-46.86	377.13	9.04	-37.82
COC1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1C(=O)[O-]	REAL300008231128	0	47	-1.0	-60.37	387.71	8.59	-51.78
CC1=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=CC=C1C(=O)[O-]	REAL300008231129	0	46	-1.0	-48.14	376.42	9.07	-39.07
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231130	0	44	-1.0	-46.55	354.91	6.60	-39.95
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231131	0	43	-1.0	-46.86	377.13	9.04	-37.82
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231132	0	43	-1.0	-55.80	355.86	8.85	-46.95
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1	REAL300008231133	0	46	-1.0	-58.12	384.23	9.28	-48.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231134	0	47	-1.0	-55.49	383.70	8.42	-47.07
CC1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1C(=O)[O-]	REAL300008231135	0	46	-1.0	-54.21	376.43	9.06	-45.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231136	0	46	-1.0	-58.05	367.78	9.05	-49.00
O=C([O-])CC1(CS(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)CC1	REAL300008231137	0	46	-1.0	-52.66	370.88	8.40	-44.26
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231138	0	46	-1.0	-50.86	382.59	9.30	-41.56
COC1=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)SC(C(=O)[O-])=C1	REAL300008231139	0	44	-1.0	-47.07	379.92	7.77	-39.30
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCC4(CCC5=CC=CC=C54)C3)=CC=C2O1	REAL300008231140	0	48	-1.0	-50.37	397.23	9.20	-41.17
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCC4(CCC5=CC=CC=C54)C3)C=C2)CC1	REAL300008231141	0	50	-1.0	-53.81	405.45	10.42	-43.39
CCC1=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C(C(=O)[O-])O1	REAL300008231142	0	46	-1.0	-53.90	378.70	8.21	-45.69
CC1=NC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1C(=O)[O-]	REAL300008231143	0	45	-1.0	-47.95	370.72	7.27	-40.68
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231144	0	47	-1.0	-48.55	383.73	8.43	-40.12
COC1=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=CC=C1C(=O)[O-]	REAL300008231145	0	47	-1.0	-53.86	387.68	8.61	-45.25
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1F	REAL300008231146	0	46	-1.0	-50.37	388.04	9.35	-41.02
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)C=C1	REAL300008231147	0	52	-1.0	-50.94	415.31	10.21	-40.73
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231148	0	43	-1.0	-55.12	352.32	6.90	-48.22
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231149	0	43	-1.0	-52.37	363.14	7.51	-44.86
O=C([O-])C1=CC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=CC=C1Cl	REAL300008231150	0	43	-1.0	-52.49	372.93	8.92	-43.57
O=C([O-])C1=C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)OC=C1	REAL300008231151	0	40	-1.0	-61.49	341.36	6.93	-54.56
O=C([O-])C1(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)CCC1	REAL300008231152	0	43	-1.0	-47.45	340.14	7.78	-39.67
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231153	0	47	-1.0	-63.63	376.89	8.78	-54.85
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231154	0	40	-1.0	-58.19	337.58	5.50	-52.69
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231155	0	43	-1.0	-55.12	352.32	6.90	-48.22
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC3(CCC4=CC=CC=C43)C2)=C1	REAL300008231156	0	42	-1.0	-48.00	356.67	6.65	-41.35
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC2(CCC3=CC=CC=C32)C1	REAL300008231157	0	46	-1.0	-56.30	374.19	9.70	-46.60
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CCC=C1CCN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300008231182	0	39	-1.0	-52.71	328.70	6.69	-46.02
CCC=C1CCN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300008231183	0	33	-1.0	-49.63	291.06	5.55	-44.08
CCC=C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300008231184	0	33	-1.0	-46.62	304.70	5.28	-41.34
CCC=C1CCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300008231185	0	41	-1.0	-47.67	330.63	5.32	-42.35
CCC=C1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300008231186	0	41	-1.0	-47.07	331.47	5.34	-41.73
CCC=C1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C1	REAL300008231187	0	36	-1.0	-57.90	319.03	7.74	-50.16
CCC=C1CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300008231188	0	39	-1.0	-56.97	335.82	6.92	-50.05
CCC=C1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300008231189	0	41	-1.0	-47.07	331.47	5.34	-41.73
CCC=C1CCN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300008231190	0	39	-1.0	-59.47	335.83	6.91	-52.56
CCC=C1CCN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300008231191	0	40	-1.0	-47.57	343.47	6.43	-41.14
CCC=C1CCN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2OC)C1	REAL300008231192	0	40	-1.0	-44.91	348.29	7.13	-37.78
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300008231193	0	33	-1.0	-49.25	305.35	5.20	-44.05
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C1	REAL300008231194	0	42	-1.0	-57.69	336.48	7.19	-50.50
CCC=C1CCN(S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C1	REAL300008231195	0	39	-1.0	-57.58	321.14	7.22	-50.36
CCC=C1CCN(S(=O)(=O)C2=CC(COC)=CC(C(=O)[O-])=C2)C1	REAL300008231196	0	43	-1.0	-52.88	367.65	5.85	-47.03
CCC=C1CCN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300008231197	0	33	-1.0	-51.00	303.80	5.21	-45.79
CCC=C1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])C1	REAL300008231198	0	39	-1.0	-55.60	341.00	8.22	-47.38
CCC=C1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C1	REAL300008231199	0	39	-1.0	-48.82	315.07	6.56	-42.26
CCC=C1CCN(S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300008231200	0	39	-1.0	-54.60	335.85	8.25	-46.35
CCC=C1CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300008231201	0	39	-1.0	-48.29	334.57	6.92	-41.37
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)C1	REAL300008231202	0	41	-1.0	-41.52	350.32	7.18	-34.34
CCC=C1CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300008231203	0	39	-1.0	-51.71	334.25	6.93	-44.78
CCC=C1CCN(S(=O)(=O)C2=CSN=C2C(=O)[O-])C1	REAL300008231204	0	32	-1.0	-53.53	285.67	3.99	-49.54
CCC=C1CCN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C1	REAL300008231205	0	32	-1.0	-64.32	294.81	3.98	-60.34
CCC=C1CCN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300008231206	0	36	-1.0	-46.47	328.81	6.66	-39.81
CCC=C1CCN(S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300008231207	0	36	-1.0	-46.49	333.37	6.77	-39.72
CCC=C1CCN(S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300008231208	0	40	-1.0	-57.76	339.95	6.22	-51.54
CCC=C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300008231209	0	39	-1.0	-47.45	328.09	6.71	-40.74
CCC=C1CCN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C1	REAL300008231210	0	41	-1.0	-51.55	338.98	6.26	-45.29
CCC=C1CCN(S(=O)(=O)C2=CC(COC)=CC(C(=O)[O-])=C2)C1	REAL300008231211	0	43	-1.0	-52.88	367.65	5.85	-47.03
CCC=C1CCN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300008231212	0	36	-1.0	-46.47	328.81	6.66	-39.81
CCC=C1CCN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C1	REAL300008231213	0	36	-1.0	-51.72	307.42	6.39	-45.33
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C1	REAL300008231214	0	39	-1.0	-50.37	334.19	7.08	-43.29
CCC=C1CCN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])=C(C)C3=C2)C1	REAL300008231215	0	42	-1.0	-50.22	359.03	7.52	-42.70
CCC=C1CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300008231216	0	39	-1.0	-56.97	335.82	6.92	-50.05
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C1	REAL300008231217	0	40	-1.0	-55.41	335.97	6.06	-49.35
CCC=C1CCN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300008231218	0	39	-1.0	-52.71	328.70	6.69	-46.02
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C1	REAL300008231219	0	39	-1.0	-56.26	320.38	6.69	-49.57
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2OC)C1	REAL300008231220	0	40	-1.0	-45.57	343.43	6.27	-39.30
CCC=C1CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300008231221	0	39	-1.0	-51.71	334.25	6.93	-44.78
CCC=C1CCN(S(=O)(=O)C2=C(OC)C=C(C(=O)[O-])S2)C1	REAL300008231222	0	37	-1.0	-46.13	333.01	5.37	-40.76
CCC=C1CCN(S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)C1	REAL300008231223	0	39	-1.0	-46.66	345.95	7.22	-39.44
CCC=C1CCN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C1	REAL300008231224	0	41	-1.0	-49.17	349.49	6.83	-42.34
CCC=C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C1	REAL300008231225	0	39	-1.0	-46.45	342.20	6.98	-39.47
CCC=C1CCN(S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C1	REAL300008231226	0	43	-1.0	-52.55	358.27	8.04	-44.51
CCC=C1CCN(S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C1	REAL300008231227	0	39	-1.0	-48.82	337.51	6.10	-42.72
CCC=C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C1	REAL300008231228	0	38	-1.0	-57.12	333.32	8.04	-49.08
CCC=C1CCN(S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)C1	REAL300008231229	0	39	-1.0	-49.82	350.44	7.66	-42.16
CCC=C1CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C1	REAL300008231230	0	38	-1.0	-50.81	330.48	7.89	-42.92
CCC=C1CCN(S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C1	REAL300008231231	0	38	-1.0	-45.33	324.00	4.86	-40.47
CCC=C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C1	REAL300008231232	0	40	-1.0	-48.09	335.97	6.05	-42.04
CCC=C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300008231233	0	40	-1.0	-53.21	339.93	6.24	-46.97
CCC=C1CCN(S(=O)(=O)C2=CC=C(OC)C=C2CC(=O)[O-])C1	REAL300008231234	0	43	-1.0	-62.34	354.71	6.97	-55.37
CCC=C1CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C1	REAL300008231235	0	39	-1.0	-49.92	340.28	6.98	-42.94
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1	REAL300008231236	0	39	-1.0	-45.25	351.13	7.15	-38.10
CCC=C1CCN(S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300008231237	0	45	-1.0	-49.43	365.56	7.78	-41.65
CCC=C1CCN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300008231238	0	42	-1.0	-49.78	342.56	8.04	-41.74
CCC=C1CCN(S(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])C1	REAL300008231239	0	36	-1.0	-57.81	323.59	7.84	-49.97
CCC=C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300008231240	0	36	-1.0	-50.92	325.19	6.55	-44.37
CCC=C1CCN(S(=O)(=O)C2=CC(OC)=CC=C2C(=O)[O-])C1	REAL300008231241	0	40	-1.0	-62.60	331.69	6.54	-56.06
CCC=C1CCN(S(=O)(=O)C2=CC(C=CC(=O)[O-])=CC(OC)=C2OC)C1	REAL300008231242	0	48	-1.0	-49.76	395.19	7.37	-42.39
CCC=C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300008231243	0	38	-2.0	-135.64	338.94	7.13	-128.51
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2COC)C1	REAL300008231244	0	43	-1.0	-47.36	360.41	6.41	-40.95
CCC=C1CCN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C1	REAL300008231245	0	39	-1.0	-57.62	325.82	7.32	-50.30
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300008231246	0	33	-1.0	-45.30	311.81	4.83	-40.47
CCC=C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300008231247	0	42	-1.0	-49.85	342.06	8.04	-41.81
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OCC)C1	REAL300008231248	0	43	-1.0	-55.00	357.38	6.96	-48.04
CCC=C1CCN(S(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])C1	REAL300008231249	0	40	-1.0	-66.80	331.74	6.51	-60.29
CCC=C1CCN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C1	REAL300008231250	0	42	-1.0	-50.89	358.57	8.43	-42.46
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C1	REAL300008231251	0	36	-1.0	-49.44	323.71	5.88	-43.56
CCC=C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C1	REAL300008231252	0	42	-1.0	-69.47	349.12	9.51	-59.96
CCC=C1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)C1	REAL300008231253	0	39	-1.0	-42.49	340.97	7.65	-34.84
CCC=C1CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300008231254	0	39	-1.0	-61.41	325.29	7.66	-53.75
CCC=C1CCN(S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300008231255	0	36	-1.0	-47.32	342.14	6.74	-40.58
CCC=C1CCN(S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C1	REAL300008231256	0	39	-1.0	-66.14	338.51	4.82	-61.32
CCC=C1CCN(S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C1	REAL300008231257	0	39	-1.0	-44.77	338.75	7.42	-37.35
CCC=C1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300008231258	0	41	-1.0	-55.25	316.27	5.92	-49.33
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C=CCC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)CC1	REAL300008231383	0	37	-1.0	-48.13	319.50	4.84	-43.29
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C=CCC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)CC1	REAL300008231387	0	36	-1.0	-46.36	332.04	5.86	-40.50
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C=CCC1(NS(=O)(=O)C2=CC(C=CC(=O)[O-])=CC(OC)=C2OC)CC1	REAL300008231393	0	45	-1.0	-53.20	378.62	5.82	-47.38
C=CCC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300008231394	0	35	-2.0	-139.73	319.85	5.78	-133.95
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C=CCC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300008231396	1	29	-2.0	-93.96	294.77	3.22	-90.74
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C=CCC1(NS(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])CC1	REAL300008231399	0	37	-1.0	-51.21	311.78	4.70	-46.51
C=CCC1(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)CC1	REAL300008231400	0	39	-1.0	-51.79	338.37	6.83	-44.96
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C=CCC1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])CC1	REAL300008231402	0	39	-1.0	-53.77	328.85	7.67	-46.10
C=CCC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)CC1	REAL300008231403	0	36	-1.0	-46.53	317.61	6.02	-40.51
C=CCC1(NS(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300008231404	0	33	-1.0	-48.69	323.05	5.45	-43.24
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C=CCC1(NS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)CC1	REAL300008231406	0	36	-1.0	-45.64	321.26	6.03	-39.61
C=CCC1(NS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)CC1	REAL300008231407	0	30	-1.0	-41.20	293.78	4.77	-36.43
C=CCC1(NS(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)CC1	REAL300008231408	0	40	-1.0	-58.84	341.60	5.56	-53.28
C=CCC1(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CC1	REAL300008231409	0	40	-1.0	-46.85	325.70	5.80	-41.05
C=CCC1(NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)CC1	REAL300008231410	0	38	-1.0	-55.00	334.24	4.97	-50.03
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008231411	0	41	-1.0	-48.20	340.62	5.63	-42.57
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008231412	0	41	-1.0	-52.10	340.63	5.62	-46.48
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008231413	0	44	-1.0	-55.34	355.28	6.54	-48.80
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008231414	0	45	-1.0	-54.63	361.02	5.46	-49.17
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008231415	0	44	-1.0	-51.58	356.66	6.16	-45.42
C=CCC(C)(C)CCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008231416	0	38	-1.0	-45.78	323.78	5.42	-40.36
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008231417	0	41	-1.0	-52.10	340.63	5.62	-46.48
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008231418	0	41	-1.0	-48.20	340.62	5.63	-42.57
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008231419	0	41	-1.0	-49.11	329.89	6.49	-42.62
C=CCC(C)(C)CCNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008231420	0	39	-1.0	-50.47	329.16	3.35	-47.12
C=CCC(C)(C)CCNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008231421	0	41	-1.0	-51.07	345.18	3.75	-47.32
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008231422	0	38	-1.0	-47.01	332.88	4.76	-42.25
C=CCC(C)(C)CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008231423	0	38	-1.0	-51.07	316.75	2.66	-48.41
C=CCC(C)(C)CCNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008231424	0	46	-1.0	-47.31	356.04	4.66	-42.65
C=CCC(C)(C)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008231425	0	46	-1.0	-50.87	357.66	4.76	-46.11
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008231426	0	41	-1.0	-49.11	329.89	6.49	-42.62
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008231427	0	41	-1.0	-42.97	346.75	7.00	-35.97
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008231428	0	38	-1.0	-49.19	325.39	3.99	-45.20
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008231429	0	41	-1.0	-49.05	343.61	4.46	-44.59
C=CCC(C)(C)CCNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008231430	0	43	-1.0	-45.09	340.22	4.45	-40.64
C=CCC(C)(C)CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008231431	0	44	-1.0	-57.25	364.41	6.35	-50.90
C=CCC(C)(C)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008231432	0	46	-1.0	-50.87	357.66	4.76	-46.11
C=CCC(C)(C)CCNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008231433	0	44	-1.0	-58.99	364.42	6.34	-52.65
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008231434	0	38	-1.0	-49.19	325.39	3.99	-45.20
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008231435	0	45	-1.0	-47.85	371.72	5.91	-41.94
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300008231436	0	45	-1.0	-44.60	379.75	6.59	-38.01
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008231437	0	38	-1.0	-48.80	333.81	4.65	-44.15
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008231438	0	47	-1.0	-56.42	372.18	7.06	-49.36
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008231439	0	44	-1.0	-53.44	357.98	6.80	-46.64
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008231440	0	48	-1.0	-53.27	395.71	5.34	-47.93
C=CCC(C)(C)CCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008231441	0	38	-1.0	-50.38	332.29	4.65	-45.73
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008231442	0	44	-1.0	-41.35	368.72	7.49	-33.86
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008231443	0	44	-1.0	-48.05	350.55	6.31	-41.74
C=CCC(C)(C)CCNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008231444	0	44	-1.0	-51.40	368.16	7.95	-43.45
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008231445	0	44	-1.0	-48.33	362.79	6.41	-41.92
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300008231446	0	46	-1.0	-41.95	378.87	6.65	-35.30
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008231447	0	38	-1.0	-48.45	325.63	3.74	-44.71
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008231448	0	44	-1.0	-51.15	362.80	6.40	-44.75
C=CCC(C)(C)CCNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008231449	0	41	-1.0	-52.75	345.37	4.72	-48.03
C=CCC(C)(C)CCNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008231450	0	40	-1.0	-46.11	335.79	3.82	-42.29
C=CCC(C)(C)CCNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008231451	0	37	-1.0	-49.67	318.19	3.89	-45.78
C=CCC(C)(C)CCNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008231452	0	37	-1.0	-53.36	322.19	3.34	-50.02
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008231453	0	40	-1.0	-52.35	326.83	4.71	-47.64
C=CCC(C)(C)CCNS(=O)(=O)CCCCCC(=O)[O-]	REAL300008231454	0	46	-1.0	-52.54	369.65	5.83	-46.71
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008231455	0	40	-1.0	-50.27	336.49	3.83	-46.44
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008231456	0	41	-1.0	-46.70	357.36	6.13	-40.57
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008231457	0	41	-1.0	-46.67	361.92	6.24	-40.43
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008231458	0	45	-1.0	-57.94	367.92	5.69	-52.25
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008231459	0	44	-1.0	-47.52	356.64	6.17	-41.35
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008231460	0	46	-1.0	-51.82	373.38	6.04	-45.78
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008231461	0	48	-1.0	-53.27	395.71	5.34	-47.93
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008231462	0	41	-1.0	-46.70	357.36	6.13	-40.57
C=CCC(C)(C)CCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008231463	0	41	-1.0	-49.72	340.74	6.12	-43.60
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008231464	0	44	-1.0	-49.78	369.07	6.95	-42.83
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008231465	0	47	-1.0	-50.78	387.59	6.96	-43.82
C=CCC(C)(C)CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008231466	0	44	-1.0	-57.25	364.41	6.35	-50.90
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008231467	0	45	-1.0	-54.63	361.02	5.46	-49.17
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008231468	0	44	-1.0	-51.58	356.66	6.16	-45.42
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008231469	0	44	-1.0	-55.34	355.28	6.54	-48.80
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300008231470	0	45	-1.0	-45.32	374.95	5.68	-39.64
C=CCC(C)(C)CCNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008231471	0	44	-1.0	-46.44	351.21	5.50	-40.94
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008231472	0	44	-1.0	-51.15	362.80	6.40	-44.75
C=CCC(C)(C)CCNS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300008231473	0	42	-1.0	-46.82	358.80	3.90	-42.92
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008231474	0	46	-1.0	-49.69	377.44	6.30	-43.39
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008231475	0	44	-1.0	-46.84	370.75	6.44	-40.40
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008231476	0	48	-1.0	-49.39	384.61	7.45	-41.94
C=CCC(C)(C)CCNS(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300008231477	0	44	-1.0	-52.29	364.78	5.52	-46.77
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008231478	0	43	-1.0	-43.17	358.18	7.15	-36.02
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008231479	0	44	-1.0	-50.44	378.51	7.12	-43.32
C=CCC(C)(C)CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008231480	0	43	-1.0	-38.31	358.16	7.15	-31.16
C=CCC(C)(C)CCNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008231481	0	43	-1.0	-45.96	352.08	4.34	-41.62
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008231482	0	45	-1.0	-47.77	361.06	5.46	-42.31
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008231483	0	45	-1.0	-53.29	367.90	5.70	-47.59
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300008231484	0	48	-1.0	-56.73	382.61	6.08	-50.65
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008231485	0	44	-1.0	-50.43	368.21	6.45	-43.98
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008231486	0	44	-1.0	-45.61	379.34	6.62	-38.99
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008231487	0	50	-1.0	-49.97	395.54	7.30	-42.67
C=CCC(C)(C)CCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008231488	0	41	-1.0	-50.89	332.60	3.97	-46.92
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008231489	0	47	-1.0	-50.19	376.89	7.85	-42.34
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008231490	0	41	-1.0	-50.22	343.35	4.59	-45.63
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008231491	0	41	-1.0	-42.85	351.32	7.11	-35.74
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008231492	0	41	-1.0	-50.23	353.15	6.02	-44.21
C=CCC(C)(C)CCNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008231493	0	38	-1.0	-59.12	321.02	4.04	-55.08
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300008231494	0	45	-1.0	-47.64	359.41	5.79	-41.85
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300008231495	0	53	-1.0	-49.77	429.45	6.75	-43.02
C=CCC(C)(C)CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008231496	0	38	-1.0	-51.07	316.75	2.66	-48.41
C=CCC(C)(C)CCNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008231497	0	41	-1.0	-50.89	332.60	3.97	-46.92
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008231498	0	43	-2.0	-134.31	367.50	6.59	-127.72
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300008231499	0	48	-1.0	-53.54	387.03	5.76	-47.78
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008231500	0	40	-1.0	-49.39	334.08	3.96	-45.43
C=CCC(C)(C)CCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008231501	0	44	-1.0	-55.76	354.09	6.76	-49.00
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008231502	0	38	-1.0	-45.42	340.28	4.27	-41.15
C=CCC(C)(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008231502	1	37	-2.0	-94.75	338.04	3.89	-90.86
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008231503	0	47	-1.0	-50.43	376.53	7.86	-42.57
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OCC	REAL300008231504	0	48	-1.0	-53.99	390.90	6.26	-47.73
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300008231505	0	45	-1.0	-49.82	359.32	5.79	-44.03
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008231506	0	40	-1.0	-54.14	336.70	3.84	-50.30
C=CCC(C)(C)CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008231507	0	38	-1.0	-43.16	324.10	1.88	-41.28
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008231508	0	41	-1.0	-54.19	342.15	3.37	-50.82
C=CCC(C)(C)CCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008231509	0	47	-1.0	-51.46	386.53	7.89	-43.57
C=CCC(C)(C)CCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008231510	0	44	-1.0	-54.21	347.54	5.31	-48.90
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008231511	0	41	-1.0	-48.96	351.90	5.35	-43.61
C=CCC(C)(C)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008231512	0	47	-1.0	-52.15	375.66	8.79	-43.36
C=CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008231513	0	44	-1.0	-45.74	365.43	7.21	-38.53
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008231514	0	44	-1.0	-55.92	353.26	6.79	-49.13
C=CCC(C)(C)CCNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008231515	0	41	-1.0	-47.82	370.34	6.21	-41.61
C=CCC(C)(C)CCNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008231516	0	44	-1.0	-60.84	366.38	4.38	-56.46
C=CCC(C)(C)CCNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008231517	0	44	-1.0	-44.61	367.23	6.86	-37.75
C=CCC(C)(C)CCNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008231518	0	46	-1.0	-49.25	347.65	5.70	-43.55
C=CCC(C)(C)CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008231519	0	38	-1.0	-43.16	324.10	1.88	-41.28
C=CCC(C)(C)CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008231520	0	43	-1.0	-46.00	342.73	4.32	-41.68
C=CCC(C)(C)CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008231521	0	38	-1.0	-51.07	316.75	2.66	-48.41
C=CCC(C)(C)CCNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008231522	0	38	-1.0	-40.83	340.79	6.05	-34.78
C=CCC(C)(C)CCNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008231523	0	43	-1.0	-50.69	353.30	4.38	-46.31
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008231524	0	44	-1.0	-55.92	353.26	6.79	-49.13
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300008231525	0	48	-1.0	-58.13	389.78	6.60	-51.53
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008231526	0	48	-1.0	-48.51	386.06	7.51	-41.00
C=CCC(C)(C)CCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008231527	0	40	-1.0	-43.44	325.45	4.70	-38.74
C=CCC(C)(C)CCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008231528	0	46	-1.0	-54.62	382.39	6.02	-48.60
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)C2=CC=CC=C2)=C1	REAL300008231529	0	42	-1.0	-58.86	369.53	8.47	-50.39
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300008231530	0	42	-1.0	-62.45	375.98	8.55	-53.90
CN(C)S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231531	0	40	-1.0	-57.03	346.87	5.65	-51.38
CCCCN(C)S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231532	0	49	-1.0	-57.91	411.33	8.13	-49.78
CCCCS(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231533	0	44	-1.0	-58.97	376.40	7.73	-51.24
CCS(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231534	0	38	-1.0	-59.00	333.40	6.15	-52.85
CS(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231535	0	35	-1.0	-59.47	311.93	5.26	-54.21
CCCS(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231536	0	41	-1.0	-58.96	354.90	6.95	-52.01
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)C2=CC=CS2)=C1	REAL300008231537	0	39	-1.0	-57.17	361.51	7.48	-49.69
CC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300008231538	0	42	-1.0	-57.17	383.27	8.28	-48.89
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)N2CCOCC2)=C1	REAL300008231539	0	45	-1.0	-63.76	377.72	5.18	-58.58
CN1C=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300008231540	0	42	-1.0	-55.47	374.30	6.17	-49.30
CCN(CC)S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231541	0	46	-1.0	-57.51	382.51	7.19	-50.32
CC1=NN(C)C(C)=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231542	0	48	-1.0	-62.28	407.10	7.54	-54.74
CCC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300008231543	0	48	-1.0	-58.57	412.42	9.90	-48.67
CC1=NNC=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231544	0	42	-1.0	-58.81	370.16	5.36	-53.45
CC1=CC(F)=CC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008231545	0	45	-1.0	-54.97	397.40	9.20	-45.77
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)CCC2CC2)=C1	REAL300008231546	0	45	-1.0	-58.79	386.51	8.51	-50.28
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)CC2=NOC=C2)=C1	REAL300008231547	0	41	-1.0	-60.81	368.25	6.47	-54.34
CC1=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=NN1C	REAL300008231548	0	45	-1.0	-52.94	390.21	6.59	-46.35
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)N2CC3CCC2C3)=C1	REAL300008231549	0	48	-1.0	-64.36	397.27	8.03	-56.33
CC(C)N1C=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300008231550	0	48	-1.0	-62.30	414.36	7.56	-54.74
CC(C)N1C=NC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008231551	0	48	-1.0	-57.83	414.90	8.87	-48.96
CC(C)C1=NC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CN1	REAL300008231552	0	48	-1.0	-56.96	413.39	6.91	-50.05
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)CC2CCCOC2)=C1	REAL300008231553	0	49	-1.0	-60.92	403.33	7.21	-53.71
CC1=C(F)C=CC=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231554	0	45	-1.0	-59.07	388.44	9.34	-49.73
COCCC(C)S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231555	0	48	-1.0	-57.84	401.48	6.90	-50.94
CCC(C)CS(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231556	0	47	-1.0	-58.89	388.86	8.34	-50.55
CCN(CC1CC1)S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231557	0	50	-1.0	-56.45	414.73	8.70	-47.75
CCCN1C=NC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008231558	0	48	-1.0	-58.15	416.77	9.22	-48.93
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CC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300008231654	0	44	-1.0	-55.95	386.17	7.31	-48.64
COC(CS(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CC1	REAL300008231655	0	49	-1.0	-61.93	413.00	7.82	-54.11
CCC1(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300008231656	0	45	-1.0	-68.47	379.60	8.66	-59.81
CC1(C)CC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CO1	REAL300008231657	0	49	-1.0	-57.70	402.73	6.85	-50.85
CCC1=NN(C)C=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231658	0	48	-1.0	-59.45	413.67	7.42	-52.03
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)CCCC2CC2)=C1	REAL300008231659	0	48	-1.0	-59.27	408.00	9.30	-49.97
COC1=NC=CC=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231660	0	45	-1.0	-57.84	388.03	5.67	-52.17
CC1=NC=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N1C	REAL300008231661	0	45	-1.0	-53.69	388.82	7.44	-46.25
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)C2=CC=CC=N2)=C1	REAL300008231662	0	41	-1.0	-64.74	365.28	6.57	-58.17
CCN1N=NC=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231663	0	44	-1.0	-59.17	378.26	5.48	-53.69
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)=C1	REAL300008231664	0	48	-1.0	-57.91	398.09	7.96	-49.95
CC1=CC=CC(C)=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231665	0	48	-1.0	-57.17	394.47	9.88	-47.29
CC1=NN(C)C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008231666	0	45	-1.0	-56.46	391.62	6.69	-49.77
CC1=CC=CC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300008231667	0	48	-1.0	-55.89	400.67	9.86	-46.03
CN(C1CCC1)S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231668	0	47	-1.0	-58.31	388.08	7.53	-50.78
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNC(=O)N2CCC(F)(F)CC2)=C1	REAL300008231669	0	46	-1.0	-53.97	379.02	10.50	-43.47
CN(C(C)(C)C)S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231670	0	49	-1.0	-56.40	394.74	7.70	-48.70
CCC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300008231671	0	45	-1.0	-57.12	395.66	8.07	-49.05
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300008231672	0	45	-1.0	-57.35	383.27	9.03	-48.32
CC1=CN=CC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008231673	0	44	-1.0	-55.98	385.88	7.33	-48.65
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)N2CC3CC2C3)=C1	REAL300008231674	0	45	-1.0	-58.52	378.72	7.23	-51.29
CCOCCCS(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231675	0	48	-1.0	-60.64	410.42	6.99	-53.65
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)CC2COCCO2)=C1	REAL300008231676	0	47	-1.0	-61.32	398.27	5.68	-55.64
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)CCN2C=NN=N2)=C1	REAL300008231677	0	43	-1.0	-62.78	384.33	6.34	-56.44
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008231678	0	52	-1.0	-53.13	440.29	10.75	-42.38
COCCC1(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300008231679	0	49	-1.0	-70.32	405.11	7.37	-62.95
CCN1N=CC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300008231680	0	44	-1.0	-57.35	390.15	5.33	-52.02
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300008231680	1	43	-2.0	-112.86	387.95	4.95	-107.91
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231681	0	47	-1.0	-70.62	397.89	5.39	-65.23
CC1=COC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008231682	0	42	-1.0	-57.94	374.17	7.14	-50.80
CC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300008231683	0	42	-1.0	-57.60	374.18	7.29	-50.31
CCC1=NNC=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231684	0	45	-1.0	-58.46	390.70	6.11	-52.35
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300008231685	0	39	-1.0	-56.10	359.57	6.64	-49.46
CC(C)N1N=CC=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231686	0	48	-1.0	-56.55	409.65	7.69	-48.86
CC1=CN=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300008231687	0	47	-1.0	-55.95	402.06	8.08	-47.87
CC1=CN=CC=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231688	0	44	-1.0	-53.89	379.47	7.53	-46.36
N#CC1CCN(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300008231689	0	48	-1.0	-66.87	405.76	7.83	-59.04
COC1=CC=NC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008231690	0	45	-1.0	-62.04	395.17	5.89	-56.15
C=CCN(CC=C)S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231691	0	48	-1.0	-57.40	409.80	8.35	-49.05
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N=C1	REAL300008231692	0	45	-1.0	-62.78	394.98	5.85	-56.93
CC1=CC=CN=C1S(=O)(=O)NCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300008231693	0	44	-1.0	-65.90	372.41	7.10	-58.80
CC1=CC(S(=O)(=O)NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC=N1	REAL300008231694	0	44	-1.0	-57.24	386.55	7.27	-49.97
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)N2CCC(F)(F)C2)=C1	REAL300008231695	0	44	-1.0	-55.48	386.27	6.98	-48.50
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNS(=O)(=O)C2=CN=CS2)=C1	REAL300008231696	0	38	-1.0	-59.26	356.03	5.59	-53.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231697	0	37	-1.0	-55.83	306.75	6.27	-49.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231698	0	38	-1.0	-55.59	306.88	5.11	-50.48
CC1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1C(=O)[O-]	REAL300008231699	0	37	-1.0	-52.12	308.26	5.92	-46.20
O=C([O-])C1CCCN(S(=O)(=O)NC2C3C4CC2CC43)C1	REAL300008231700	0	39	-1.0	-47.77	307.81	4.40	-43.37
O=C([O-])C1CCN(S(=O)(=O)NC2C3C4CC2CC43)CC1	REAL300008231701	0	39	-1.0	-50.79	307.59	4.47	-46.32
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231702	0	34	-1.0	-44.15	297.13	6.71	-37.44
O=C([O-])C1=CC=C(CS(=O)(=O)NC2C3C4CC2CC43)C=C1	REAL300008231703	0	37	-1.0	-57.00	316.08	6.11	-50.89
O=C([O-])C1CCN(S(=O)(=O)NC2C3C4CC2CC43)CC1	REAL300008231704	0	39	-1.0	-50.79	307.59	4.47	-46.32
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231705	0	37	-1.0	-58.52	315.49	6.07	-52.45
O=C([O-])COC1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1	REAL300008231706	0	38	-1.0	-47.60	323.32	5.67	-41.93
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231707	0	38	-1.0	-45.38	331.88	6.38	-39.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1C	REAL300008231708	0	40	-1.0	-56.94	324.41	6.81	-50.13
CC1=CC=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1C(=O)[O-]	REAL300008231709	0	37	-1.0	-54.13	306.86	6.51	-47.62
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231710	0	41	-1.0	-53.24	346.98	5.07	-48.17
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231711	0	37	-1.0	-42.82	320.33	7.24	-35.58
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231712	0	37	-1.0	-48.41	301.10	6.13	-42.28
O=C([O-])C1=C(S(=O)(=O)NC2C3C4CC2CC43)C2=CC=CC=C2S1	REAL300008231713	0	37	-1.0	-53.04	319.75	7.72	-45.32
O=C([O-])CC1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1	REAL300008231714	0	37	-1.0	-48.14	314.43	6.17	-41.97
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1[N+](=O)[O-]	REAL300008231715	0	39	-1.0	-41.95	330.17	6.39	-35.56
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231716	0	37	-1.0	-48.49	314.42	6.16	-42.33
O=C([O-])C1=NSC=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231717	0	30	-1.0	-51.68	271.32	3.58	-48.10
O=C([O-])C1=C(S(=O)(=O)NC2C3C4CC2CC43)SC=N1	REAL300008231718	0	30	-1.0	-66.07	273.08	2.94	-63.13
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231719	0	34	-1.0	-46.74	308.64	5.87	-40.87
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231720	0	34	-1.0	-46.78	313.21	5.97	-40.81
COC1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1C(=O)[O-]	REAL300008231721	0	38	-1.0	-58.23	319.53	5.45	-52.78
CC1=CC(S(=O)(=O)NC2C3C4CC2CC43)=CC=C1C(=O)[O-]	REAL300008231722	0	37	-1.0	-47.45	307.92	5.90	-41.55
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NC3C4C5CC3CC54)C=CC=C21	REAL300008231723	0	39	-1.0	-51.90	325.07	5.80	-46.10
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231724	0	41	-1.0	-53.24	346.98	5.07	-48.17
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231725	0	34	-1.0	-46.74	308.64	5.87	-40.87
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231726	0	34	-1.0	-56.18	296.05	5.92	-50.26
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231727	0	37	-1.0	-49.99	320.70	6.69	-43.30
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3C4C5CC3CC54)C=C21	REAL300008231728	0	40	-1.0	-50.40	339.19	6.73	-43.67
O=C([O-])C1=CC=C(CS(=O)(=O)NC2C3C4CC2CC43)C=C1	REAL300008231729	0	37	-1.0	-57.00	316.08	6.11	-50.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231730	0	38	-1.0	-55.59	306.88	5.11	-50.48
CC1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1C(=O)[O-]	REAL300008231731	0	37	-1.0	-52.12	308.26	5.92	-46.20
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231732	0	37	-1.0	-55.83	306.75	6.27	-49.56
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231733	0	38	-1.0	-45.49	327.21	5.40	-40.09
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231734	0	37	-1.0	-48.49	314.42	6.16	-42.33
COC1=C(S(=O)(=O)NC2C3C4CC2CC43)SC(C(=O)[O-])=C1	REAL300008231735	0	35	-1.0	-46.66	314.67	4.10	-42.56
CC1=C(Br)C=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1C(=O)[O-]	REAL300008231736	0	37	-1.0	-46.21	325.81	6.42	-39.79
O=C([O-])C1CC2=CC(S(=O)(=O)NC3C4C5CC3CC54)=CC=C2O1	REAL300008231737	0	39	-1.0	-49.39	329.08	6.06	-43.33
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1C(F)(F)F	REAL300008231738	0	37	-1.0	-46.85	322.36	6.20	-40.65
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3C4C5CC3CC54)C=C2)CC1	REAL300008231739	0	41	-1.0	-52.27	338.36	7.27	-45.00
CCC1=C(S(=O)(=O)NC2C3C4CC2CC43)C=C(C(=O)[O-])O1	REAL300008231740	0	37	-1.0	-52.48	316.59	5.30	-47.18
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231741	0	36	-1.0	-44.62	309.50	6.91	-37.71
O=C([O-])C1=CC2=CC(S(=O)(=O)NC3C4C5CC3CC54)=CC=C2S1	REAL300008231742	0	37	-1.0	-50.21	330.12	6.88	-43.33
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231743	0	36	-1.0	-39.73	310.21	6.90	-32.83
CC1=NC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1C(=O)[O-]	REAL300008231744	0	36	-1.0	-46.01	303.69	4.10	-41.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231745	0	38	-1.0	-48.17	309.07	5.09	-43.08
COC1=CC(S(=O)(=O)NC2C3C4CC2CC43)=CC=C1C(=O)[O-]	REAL300008231746	0	38	-1.0	-53.33	319.17	5.44	-47.89
COC1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C(CC(=O)[O-])=C1	REAL300008231747	0	41	-1.0	-57.61	334.08	5.85	-51.76
O=C([O-])CC1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1F	REAL300008231748	0	37	-1.0	-49.84	319.87	6.21	-43.63
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231749	0	37	-1.0	-45.52	330.63	6.35	-39.17
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1	REAL300008231750	0	43	-1.0	-49.60	347.16	7.06	-42.54
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NC3C4C5CC3CC54)C=CC=C12	REAL300008231751	0	40	-1.0	-50.08	328.50	7.60	-42.48
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231752	0	34	-1.0	-44.08	301.66	6.82	-37.26
O=C([O-])C1=CC(S(=O)(=O)NC2C3C4CC2CC43)=CC=C1Cl	REAL300008231753	0	34	-1.0	-50.51	304.76	5.78	-44.73
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231754	0	38	-1.0	-48.97	309.79	5.51	-43.46
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC2C3C4CC2CC43)=C1OC	REAL300008231755	0	46	-1.0	-49.73	366.81	6.38	-43.35
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1C(=O)[O-]	REAL300008231756	0	36	-2.0	-135.21	318.76	6.32	-128.89
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231757	0	41	-1.0	-53.16	339.05	5.50	-47.66
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC1C2C3CC1CC32	REAL300008231758	0	37	-1.0	-55.89	306.07	6.54	-49.35
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231759	0	31	-1.0	-45.68	291.91	4.05	-41.63
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3C4CC2CC43)=C1	REAL300008231759	1	30	-2.0	-96.94	287.70	3.83	-93.11
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C2=CC=CC=C12	REAL300008231760	0	40	-1.0	-50.37	329.66	7.56	-42.81
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231761	0	41	-1.0	-54.39	342.28	6.10	-48.29
COC1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C(C(=O)[O-])=C1	REAL300008231762	0	38	-1.0	-51.68	310.73	5.54	-46.14
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NC3C4C5CC3CC54)C=C2C=C1	REAL300008231763	0	40	-1.0	-51.11	338.15	7.66	-43.45
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2C3C4CC2CC43)S1	REAL300008231764	0	34	-1.0	-49.16	302.33	5.08	-44.08
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231765	0	40	-1.0	-53.74	326.85	8.50	-45.24
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2C3C4CC2CC43)=C1	REAL300008231766	0	37	-1.0	-46.24	313.17	6.78	-39.46
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231767	0	37	-1.0	-56.92	305.17	6.57	-50.35
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NC1C3C4CC1CC43)=C2	REAL300008231768	0	34	-1.0	-47.66	321.96	5.98	-41.68
O=C([O-])C1=NC(S(=O)(=O)NC2C3C4CC2CC43)=C2C=CC=CN21	REAL300008231769	0	37	-1.0	-66.58	318.60	4.03	-62.55
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC3C4C5CC3CC54)=C2C=C1	REAL300008231770	0	37	-1.0	-44.72	318.84	6.64	-38.08
O=C([O-])C1CCCCN1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231771	0	39	-1.0	-50.96	298.97	5.40	-45.56
O=C([O-])C1=C(S(=O)(=O)NC2C3C4CC2CC43)C=C(Cl)S1	REAL300008231772	0	31	-1.0	-42.31	292.34	5.78	-36.53
CC1=CC(S(=O)(=O)NC2C3C4CC2CC43)=CN=C1C(=O)[O-]	REAL300008231773	0	36	-1.0	-50.29	304.62	4.15	-46.14
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1C2C3CC1CC32	REAL300008231774	0	37	-1.0	-56.92	305.17	6.57	-50.35
CCOC1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1C(=O)[O-]	REAL300008231775	0	41	-1.0	-58.73	341.39	6.37	-52.36
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3C4C5CC3CC54)C=C2C1	REAL300008231776	0	41	-1.0	-49.05	337.38	7.25	-41.80
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC3C4C5CC3CC54)C=C2C=C1	REAL300008231777	0	39	-1.0	-54.19	334.01	5.79	-48.40
O=C([O-])CCCS(=O)(=O)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=C1F	REAL300008231778	0	41	-1.0	-53.95	377.58	8.07	-45.88
O=C([O-])CCCS(=O)(=O)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=C1F	REAL300008231779	0	41	-1.0	-53.95	377.58	8.07	-45.88
O=C([O-])C1(S(=O)(=O)NC(C2=CC=CC(Cl)=C2)C2=CC=CC=C2F)CCC1	REAL300008231780	0	42	-1.0	-45.40	374.04	8.54	-36.86
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC(C2=CC=CC(Cl)=C2)C2=CC=CC=C2F)C1	REAL300008231781	0	42	-1.0	-59.14	373.03	8.20	-50.94
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=C1F	REAL300008231782	0	42	-1.0	-58.90	387.44	8.76	-50.14
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=C1F	REAL300008231783	0	42	-1.0	-58.48	371.63	9.15	-49.33
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300008231784	0	42	-1.0	-51.09	365.83	6.54	-44.55
COC1=CC=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231785	0	42	-1.0	-55.67	365.84	6.53	-49.14
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=CC=CC=C12	REAL300008231786	0	45	-1.0	-56.72	380.46	7.45	-49.27
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231787	0	45	-1.0	-55.18	385.93	7.18	-48.00
COC1=CC=C(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C2=CC=CC=C12	REAL300008231788	0	39	-1.0	-50.16	348.99	6.32	-43.84
COC1=CC=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231789	0	42	-1.0	-55.67	365.84	6.53	-49.14
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300008231790	0	42	-1.0	-51.09	365.83	6.54	-44.55
COC1=CC=C(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231791	0	42	-1.0	-53.61	355.14	7.40	-46.21
COC1=CC=C(CNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231792	0	40	-1.0	-53.77	354.36	4.25	-49.52
COC1=CC=C(CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C2=CC=CC=C12	REAL300008231793	0	42	-1.0	-53.58	370.43	4.67	-48.91
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300008231794	0	39	-1.0	-49.26	358.10	5.66	-43.60
COC1=CC=C(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231795	0	39	-1.0	-54.67	341.95	3.57	-51.10
COC1=CC=C(CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008231796	0	47	-1.0	-49.69	382.03	5.59	-44.10
COC1=CC=C(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008231797	0	47	-1.0	-53.84	382.88	5.68	-48.16
COC1=CC=C(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231798	0	42	-1.0	-53.61	355.14	7.40	-46.21
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=CC=C12	REAL300008231799	0	39	-1.0	-50.66	350.59	4.89	-45.77
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C2=CC=CC=C12	REAL300008231800	0	42	-1.0	-51.65	368.82	5.37	-46.28
COC1=CC=C(CNS(=O)(=O)CCCC(=O)[O-])C2=CC=CC=C12	REAL300008231801	0	41	-1.0	-54.47	351.85	5.16	-49.31
COC1=CC=C(CNS(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300008231802	0	44	-1.0	-47.68	359.21	5.18	-42.50
COC1=CC=C(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300008231803	0	45	-1.0	-60.83	389.62	7.26	-53.57
COC1=CC=C(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008231804	0	47	-1.0	-53.84	382.88	5.68	-48.16
COC1=CC=C(CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231805	0	45	-1.0	-61.81	389.62	7.24	-54.57
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=CC=C12	REAL300008231806	0	39	-1.0	-50.66	350.59	4.89	-45.77
COC1=CC=C(CNS(=O)(=O)CCCC(=O)[O-])C2=CC=CC=C12	REAL300008231807	0	41	-1.0	-54.47	351.85	5.16	-49.31
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C12	REAL300008231808	0	39	-1.0	-51.99	359.03	5.56	-46.43
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C2=CC=CC=C12	REAL300008231809	0	48	-1.0	-58.13	398.05	7.85	-50.28
COC1=CC=C(CNS(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231810	0	45	-1.0	-56.40	380.31	7.51	-48.89
COC1=CC=C(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231811	0	39	-1.0	-52.32	357.49	5.56	-46.76
COC1=CC=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C2=CC=CC=C12	REAL300008231812	0	45	-1.0	-51.27	374.58	7.15	-44.12
COC1=CC=C(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300008231813	0	45	-1.0	-50.97	388.00	7.32	-43.65
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C2=CC=CC=C12	REAL300008231814	0	39	-1.0	-51.23	350.84	4.64	-46.59
COC1=CC=C(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231815	0	45	-1.0	-54.13	388.01	7.31	-46.82
COC1=CC=C(CNS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231816	0	42	-1.0	-54.03	370.53	5.65	-48.38
COC1=CC=C(CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231817	0	41	-1.0	-49.67	361.01	4.73	-44.94
COC1=CC=C(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231818	0	38	-1.0	-54.45	343.34	4.79	-49.66
COC1=CC=C(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C2=CC=CC=C12	REAL300008231819	0	38	-1.0	-63.29	340.99	4.07	-59.22
COC1=CC=C(CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231820	0	41	-1.0	-56.66	351.82	5.59	-51.07
COC1=CC=C(CNS(=O)(=O)CCCCCC(=O)[O-])C2=CC=CC=C12	REAL300008231821	0	47	-1.0	-55.98	394.85	6.72	-49.26
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C2=CC=CC=C12	REAL300008231822	0	41	-1.0	-52.83	361.70	4.74	-48.09
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300008231823	0	45	-1.0	-50.29	381.84	7.08	-43.21
COC1=CC=C(CNS(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300008231824	0	43	-1.0	-50.77	365.18	4.75	-46.02
COC1=CC=C(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C2=CC=CC=C12	REAL300008231825	0	42	-1.0	-52.55	366.40	7.12	-45.43
COC1=CC=C(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300008231826	0	45	-1.0	-60.83	389.62	7.26	-53.57
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231827	0	45	-1.0	-55.18	385.93	7.18	-48.00
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C2=CC=CC=C12	REAL300008231828	0	45	-1.0	-56.72	380.46	7.45	-49.27
COC1=CC=C(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300008231829	0	45	-1.0	-50.78	376.19	6.42	-44.36
COC1=CC=C(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231830	0	45	-1.0	-54.13	388.01	7.31	-46.82
CCC1=C(S(=O)(=O)NCC2=CC=C(OC)C3=CC=CC=C23)C=C(C(=O)[O-])O1	REAL300008231831	0	45	-1.0	-53.64	390.17	6.45	-47.19
COC1=CC=C(CNS(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231832	0	44	-1.0	-47.57	377.28	5.25	-42.32
COC1=CC=C(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C2=CC=CC=C12	REAL300008231833	0	42	-1.0	-51.74	357.74	4.86	-46.88
COC1=CC=C(CNS(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C2=CC=CC=C12	REAL300008231834	0	42	-1.0	-51.54	368.56	5.49	-46.05
COC1=CC=C(CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C2=CC=CC=C12	REAL300008231835	0	39	-1.0	-55.89	343.05	5.39	-50.50
COC1=CC=C(CNS(=O)(=O)C2(C(=O)[O-])CCC2)C2=CC=CC=C12	REAL300008231836	0	42	-1.0	-48.42	347.49	5.58	-42.84
COC1=CC=C(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231837	0	39	-1.0	-54.67	341.95	3.57	-51.10
COC1=CC=C(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C2=CC=CC=C12	REAL300008231838	0	42	-1.0	-51.74	357.74	4.86	-46.88
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C12	REAL300008231839	0	41	-1.0	-49.18	362.06	4.66	-44.52
COC1=CC=C(CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231840	0	45	-1.0	-58.47	379.60	7.68	-50.79
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2=CC=CC=C12	REAL300008231841	0	39	-1.0	-47.97	365.50	5.18	-42.79
COC1=CC=C(CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231842	0	41	-1.0	-55.82	361.90	4.75	-51.07
COC1=CC=C(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231843	0	39	-1.0	-45.82	349.32	2.78	-43.04
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C2=CC=CC=C12	REAL300008231844	0	42	-1.0	-55.79	367.35	4.28	-51.51
COC1=CC=C(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300008231845	0	42	-1.0	-54.39	354.23	5.56	-48.83
COC1=CC=C(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300008231846	0	45	-1.0	-57.48	372.73	6.20	-51.28
COC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C2=CC=CC=C12	REAL300008231847	0	42	-1.0	-51.75	375.92	6.22	-45.53
COC1=CC=C(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C2=CC=CC=C12	REAL300008231848	0	45	-1.0	-59.40	378.38	7.71	-51.69
COC1=CC=C(CNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008231849	0	42	-1.0	-56.68	362.50	5.86	-50.82
COC1=CC=C(CNS(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300008231850	0	47	-1.0	-52.63	372.40	6.58	-46.05
COC1=CC=C(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300008231851	0	39	-1.0	-45.82	349.32	2.78	-43.04
COC1=CC=C(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008231852	0	44	-1.0	-59.50	365.65	5.69	-53.81
COC1=CC=C(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231853	0	39	-1.0	-54.67	341.95	3.57	-51.10
COC1=CC=C(CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008231854	0	42	-1.0	-60.06	346.22	6.26	-53.80
COC1=CC=C(CNS(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300008231855	0	44	-1.0	-53.73	378.52	5.29	-48.44
COC1=CC=C(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C2=CC=CC=C12	REAL300008231856	0	45	-1.0	-59.40	378.38	7.71	-51.69
COC1=CC=C(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300008231857	0	41	-1.0	-47.80	350.66	5.61	-42.19
COC1=CC=C(C(NS(=O)(=O)CCCC(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300008231858	0	45	-1.0	-54.48	400.91	7.22	-47.26
COC1=CC=C(C(NS(=O)(=O)CCCC(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300008231859	0	45	-1.0	-54.48	400.91	7.22	-47.26
CC(=O)C1=CC=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231860	0	37	-1.0	-65.36	326.43	4.58	-60.78
CCC(C)C1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1	REAL300008231861	0	44	-1.0	-52.76	363.85	6.75	-46.01
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C(Cl)S2)CC1	REAL300008231862	0	29	-1.0	-51.63	294.13	3.78	-47.85
COC1=CC=C(C)C=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231863	0	39	-1.0	-55.80	327.06	4.67	-51.13
CC1=CC=C(Br)C=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231864	0	35	-1.0	-54.47	320.59	5.71	-48.76
O=C([O-])CC1(CNS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CC1	REAL300008231865	0	36	-1.0	-56.16	322.17	4.49	-51.67
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1	REAL300008231866	0	38	-1.0	-59.38	345.88	1.68	-57.70
O=C([O-])CC1(CNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300008231867	0	36	-1.0	-49.77	331.16	3.96	-45.81
COC1=CC(C)=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1OC	REAL300008231868	0	43	-1.0	-56.51	359.03	4.16	-52.35
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231869	0	35	-1.0	-51.41	316.02	5.60	-45.81
CN(C1CCCCC1)S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231870	0	43	-1.0	-51.88	341.44	4.64	-47.24
CC1=NN(C)C(C)=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231871	0	38	-1.0	-54.83	321.19	3.22	-51.61
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300008231872	0	48	-1.0	-52.59	387.03	7.96	-44.63
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)CC1	REAL300008231873	0	38	-1.0	-53.01	328.99	3.35	-49.66
O=C([O-])CC1(CNS(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300008231874	0	32	-1.0	-52.08	300.71	4.93	-47.15
O=C([O-])CC1(CNS(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300008231875	0	32	-1.0	-50.64	306.46	4.78	-45.86
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231876	0	37	-1.0	-55.03	318.49	6.41	-48.62
O=C([O-])CC1(CNS(=O)(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300008231877	0	38	-1.0	-53.05	346.48	6.20	-46.85
CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231878	0	42	-1.0	-63.35	367.77	0.74	-62.61
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1	REAL300008231879	0	43	-1.0	-52.22	367.63	6.00	-46.22
CC1=CC(F)=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231880	0	35	-1.0	-49.83	312.32	4.93	-44.90
O=C([O-])CC1(CNS(=O)(=O)C2=CC3=CC=CC=C3OC2)CC1	REAL300008231881	0	38	-1.0	-52.77	330.19	4.71	-48.06
COCC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1	REAL300008231882	0	39	-1.0	-54.07	340.25	3.89	-50.18
CCOC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=N1	REAL300008231883	0	38	-1.0	-51.77	333.53	1.81	-49.96
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1	REAL300008231884	0	41	-1.0	-65.89	370.21	2.37	-63.52
CS(=O)(=O)CCCS(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231885	0	37	-1.0	-67.11	333.48	0.21	-66.90
COC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C(C)=C1C	REAL300008231886	0	42	-1.0	-54.32	345.61	4.87	-49.45
O=C([O-])CC1(CNS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CC1	REAL300008231887	0	37	-1.0	-54.70	336.10	4.65	-50.05
O=C([O-])CC1(CNS(=O)(=O)CC2=CC=C(Br)C=C2)CC1	REAL300008231888	0	35	-1.0	-54.10	329.55	5.52	-48.58
O=C([O-])CC1(CNS(=O)(=O)C2=CC3=CC=CN=C3C=C2)CC1	REAL300008231889	0	37	-1.0	-56.14	325.47	4.58	-51.56
CS(=O)(=O)N1CCN(S(=O)(=O)NCC2(CC(=O)[O-])CC2)CC1	REAL300008231890	0	42	-1.0	-59.18	355.47	-0.25	-59.43
CN(C1CCOCC1)S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231891	0	41	-1.0	-51.51	332.34	2.25	-49.26
CC1=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300008231892	0	41	-1.0	-57.80	358.25	5.41	-52.39
CCN1N=C(C)C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1C	REAL300008231893	0	41	-1.0	-50.27	343.92	4.13	-46.14
CC(C)N1C=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=N1	REAL300008231894	0	38	-1.0	-55.04	329.26	3.29	-51.75
CC(C)CN1C=NC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231895	0	41	-1.0	-59.80	347.67	5.57	-54.23
CC(C)N1C=NC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231896	0	38	-1.0	-59.15	328.56	4.70	-54.45
CC(C)C1=NC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=CN1	REAL300008231897	0	38	-1.0	-55.35	328.46	2.63	-52.72
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231898	0	44	-1.0	-53.88	335.71	6.59	-47.29
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CC1	REAL300008231899	0	45	-1.0	-57.63	388.81	7.14	-50.49
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231900	0	40	-1.0	-68.39	350.19	3.63	-64.76
COC1=CC(Cl)=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1OC	REAL300008231901	0	40	-1.0	-53.26	345.49	3.43	-49.83
CC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1Br	REAL300008231902	0	35	-1.0	-50.08	324.00	5.39	-44.69
CC1=C(F)C=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231903	0	35	-1.0	-51.74	305.32	4.99	-46.75
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CC1	REAL300008231904	0	38	-1.0	-52.39	340.00	6.96	-45.43
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CC1	REAL300008231905	0	37	-1.0	-47.03	336.90	6.39	-40.64
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300008231906	0	36	-1.0	-53.78	329.97	3.84	-49.94
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CC1	REAL300008231907	0	39	-1.0	-53.35	342.06	5.84	-47.51
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231908	0	47	-1.0	-49.80	383.76	5.67	-44.13
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C(C(F)F)C=C2)CC1	REAL300008231909	0	35	-1.0	-52.77	317.36	5.03	-47.74
COCC1=CC=C(OC)C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231910	0	43	-1.0	-57.00	360.72	3.72	-53.28
CC1=CC=CN=C1S(=O)(=O)NC1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300008233001	0	38	-1.0	-58.07	329.27	5.23	-52.84
O=C([O-])C1=CC=C2CC(NS(=O)(=O)C3=CC=NC4=CC=CC=C43)CC2=C1	REAL300008233002	0	41	-1.0	-57.90	355.42	6.68	-51.22
CCOC1=CC=CN=C1S(=O)(=O)NC1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300008233003	0	42	-1.0	-59.28	362.04	5.57	-53.71
CC1=CC=C(S(=O)(=O)NC2CC3=CC=C(C(=O)[O-])C=C3C2)C2=NC=CC=C12	REAL300008233004	0	44	-1.0	-58.34	362.04	7.91	-50.43
CC1=CC(S(=O)(=O)NC2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=N1	REAL300008233005	0	38	-1.0	-56.29	334.47	5.03	-51.26
O=C([O-])C1=CC=C2CC(NS(=O)(=O)C3=CNC4=CC=CC=C43)CC2=C1	REAL300008233006	0	40	-1.0	-58.32	352.49	6.21	-52.11
O=C([O-])C1=CC=C2CC(NS(=O)(=O)N3CCC(F)(F)C3)CC2=C1	REAL300008233007	0	38	-1.0	-55.49	333.02	4.61	-50.88
O=C([O-])C1=CC=C2CC(NS(=O)(=O)C3=CN=CS3)CC2=C1	REAL300008233008	0	32	-1.0	-55.42	305.03	3.35	-52.07
O=C([O-])C1=CC=C2CC(NS(=O)(=O)C3=CC(C(F)F)=CC=N3)CC2=C1	REAL300008233009	0	38	-1.0	-61.40	348.44	5.31	-56.09
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300008233010	0	49	-1.0	-55.98	408.66	8.27	-47.71
CC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233011	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	REAL300008233012	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	REAL300008233013	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-]	REAL300008233014	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-]	REAL300008233015	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	REAL300008233016	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	REAL300008233017	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	REAL300008233018	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	REAL300008233019	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-]	REAL300008233020	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-]	REAL300008233021	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-]	REAL300008233022	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	REAL300008233023	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	REAL300008233024	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	REAL300008233025	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	REAL300008233026	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	REAL300008233027	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-]	REAL300008233028	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	REAL300008233029	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-]	REAL300008233030	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	REAL300008233031	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	REAL300008233032	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	REAL300008233033	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	REAL300008233034	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	REAL300008233035	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	REAL300008233036	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-]	REAL300008233037	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	REAL300008233038	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	REAL300008233039	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	REAL300008233040	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	REAL300008233041	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-]	REAL300008233042	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	REAL300008233043	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	REAL300008233044	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	REAL300008233045	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	REAL300008233046	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	REAL300008233047	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	REAL300008233048	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-]	REAL300008233049	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	REAL300008233050	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	REAL300008233051	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	REAL300008233052	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-]	REAL300008233053	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	REAL300008233054	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	REAL300008233055	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	REAL300008233056	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	REAL300008233057	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-]	REAL300008233058	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	REAL300008233059	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	REAL300008233060	0	40	-1.0	-64.19	340.37	4.66	-59.53
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250001	0	49	-1.0	-48.48	389.15	6.76	-41.72
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250002	0	48	-1.0	-48.31	388.23	6.30	-42.01
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250003	0	45	-1.0	-48.35	367.97	5.60	-42.75
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1Cl	REAL300008250004	0	39	-1.0	-49.58	340.82	4.44	-45.14
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300008250005	0	39	-1.0	-49.74	350.57	4.71	-45.03
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1C	REAL300008250006	0	42	-1.0	-48.85	344.73	4.62	-44.23
CC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC=C1OC(C)C	REAL300008250007	0	48	-1.0	-48.59	384.52	6.17	-42.42
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)=C1	REAL300008250008	0	42	-1.0	-48.04	338.18	4.72	-43.32
COCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250009	0	46	-1.0	-50.49	380.26	4.08	-46.41
CC1(C)[C@H](NS(=O)(=O)CC2=CC=CC=C2F)C[C@@H]1C(=O)[O-]	REAL300008250010	0	38	-1.0	-51.86	322.65	5.28	-46.58
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250011	0	38	-1.0	-45.65	330.47	5.94	-39.71
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1C	REAL300008250012	0	43	-1.0	-55.70	344.99	7.47	-48.23
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250013	0	44	-1.0	-55.48	369.86	2.86	-52.62
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250014	0	43	-1.0	-54.04	371.89	0.75	-53.29
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250015	0	43	-1.0	-53.99	351.50	2.90	-51.09
CC1=NC(C)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300008250016	0	37	-1.0	-47.71	320.45	3.13	-44.58
CC1(C)[C@H](NS(=O)(=O)C2=CSC3=CC=CC=C23)C[C@@H]1C(=O)[O-]	REAL300008250017	0	38	-1.0	-48.77	331.87	5.94	-42.83
COC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC=C1F	REAL300008250018	0	39	-1.0	-48.50	331.02	3.95	-44.55
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C[C@@H]1C(=O)[O-]	REAL300008250019	0	45	-1.0	-49.69	369.50	7.99	-41.70
CC1(C)[C@H](NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300008250020	0	38	-1.0	-48.60	350.73	6.24	-42.36
CC1(C)[C@H](NS(=O)(=O)CC2CCCCC2)C[C@@H]1C(=O)[O-]	REAL300008250021	0	44	-1.0	-48.17	337.88	5.68	-42.49
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)S2)=CS1	REAL300008250022	0	41	-1.0	-49.68	374.55	5.12	-44.56
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250023	0	55	-1.0	-48.17	429.72	8.19	-39.98
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250024	0	43	-1.0	-53.35	345.38	6.44	-46.91
CNC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CN1C	REAL300008250025	0	43	-1.0	-52.89	359.25	2.24	-50.65
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)=C1	REAL300008250026	0	45	-1.0	-48.24	353.57	5.50	-42.74
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C[C@@H]1C(=O)[O-]	REAL300008250027	0	46	-1.0	-50.19	379.52	8.70	-41.49
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1C	REAL300008250028	0	45	-1.0	-47.93	359.53	5.50	-42.43
CC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=CC=CN=C2C=C1	REAL300008250029	0	43	-1.0	-49.29	338.62	5.70	-43.59
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC3=CN=CC=C32)C[C@@H]1C(=O)[O-]	REAL300008250030	0	40	-1.0	-52.34	330.51	5.09	-47.25
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)=C2	REAL300008250031	0	48	-1.0	-52.24	395.13	8.41	-43.83
CCN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C([N+](=O)[O-])=N1	REAL300008250032	0	40	-1.0	-58.09	344.06	5.40	-52.69
CCN1C=C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)C([N+](=O)[O-])=N1	REAL300008250032	1	39	-2.0	-117.45	344.76	5.18	-112.27
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250033	0	42	-1.0	-50.26	366.20	5.27	-44.99
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250034	0	49	-1.0	-49.82	406.38	7.85	-41.97
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250035	0	43	-1.0	-55.60	358.39	5.85	-49.75
CC1(C)[C@H](NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C[C@@H]1C(=O)[O-]	REAL300008250036	0	45	-1.0	-51.65	381.28	6.15	-45.50
CC1(C)[C@H](NS(=O)(=O)C2=CN=C3NC=CC=C23)C[C@@H]1C(=O)[O-]	REAL300008250037	0	38	-1.0	-60.10	321.64	3.74	-56.36
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250038	0	57	-1.0	-49.53	433.40	7.51	-42.02
CC1=CC=CC(CS(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250039	0	41	-1.0	-49.71	338.91	5.91	-43.80
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250040	0	43	-1.0	-56.06	372.35	1.20	-54.86
CC1(C)[C@H](NS(=O)(=O)CC2=CC=CC(F)=C2)C[C@@H]1C(=O)[O-]	REAL300008250041	0	38	-1.0	-50.11	323.91	5.31	-44.80
CC1=CC=CC=C1CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250042	0	41	-1.0	-49.31	333.13	5.82	-43.49
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=CC=CC=C12	REAL300008250043	0	48	-1.0	-50.07	385.31	7.17	-42.90
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250044	0	45	-1.0	-51.90	367.15	5.91	-45.99
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C[C@@H]1C(=O)[O-]	REAL300008250045	0	40	-1.0	-59.55	343.58	4.76	-54.79
CC1(C)[C@H](NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C[C@@H]1C(=O)[O-]	REAL300008250046	0	42	-1.0	-52.00	355.87	5.70	-46.30
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250047	0	49	-1.0	-50.53	402.11	5.04	-45.49
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250048	0	51	-1.0	-48.28	410.97	7.16	-41.12
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC3=C2CCCC3)C[C@@H]1C(=O)[O-]	REAL300008250049	0	45	-1.0	-47.49	349.43	7.21	-40.28
CC1(C)[C@H](NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C[C@@H]1C(=O)[O-]	REAL300008250050	0	41	-1.0	-51.34	342.04	6.35	-44.99
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250051	0	39	-1.0	-47.05	351.49	6.03	-41.02
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3COCC3=C2)C[C@@H]1C(=O)[O-]	REAL300008250052	0	40	-1.0	-48.99	331.27	3.88	-45.11
CC1(C)[C@H](NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)C[C@@H]1C(=O)[O-]	REAL300008250053	0	43	-1.0	-54.55	357.16	5.78	-48.77
CC1(C)[C@H](NS(=O)(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C(=O)[O-]	REAL300008250054	0	41	-1.0	-57.45	339.16	1.03	-56.42
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250055	0	40	-1.0	-55.01	343.43	4.75	-50.26
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)=C1	REAL300008250056	0	45	-1.0	-47.84	360.04	5.65	-42.19
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250057	0	43	-1.0	-55.85	371.91	0.75	-55.10
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC=C2OC(F)F)C[C@@H]1C(=O)[O-]	REAL300008250058	0	39	-1.0	-50.62	333.28	4.61	-46.01
CSC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250059	0	39	-1.0	-48.51	335.31	5.59	-42.92
CCCCCCCS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250060	0	46	-1.0	-48.28	364.92	6.14	-42.14
CC1(C)[C@H](NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300008250061	0	41	-1.0	-50.21	356.23	6.23	-43.98
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250062	0	46	-1.0	-49.47	365.45	6.27	-43.20
CCN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)N=C1C	REAL300008250063	0	41	-1.0	-52.90	339.20	4.33	-48.57
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC3=C2OCCO3)C[C@@H]1C(=O)[O-]	REAL300008250064	0	41	-1.0	-51.07	338.40	4.22	-46.85
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC3=NC=CC=C32)C[C@@H]1C(=O)[O-]	REAL300008250065	0	40	-1.0	-50.31	330.03	5.00	-45.31
CC1(C)[C@H](NS(=O)(=O)CC2CCCCO2)C[C@@H]1C(=O)[O-]	REAL300008250066	0	42	-1.0	-49.78	331.57	3.56	-46.22
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1C(F)(F)F	REAL300008250067	0	41	-1.0	-47.95	349.59	6.10	-41.85
CC1(C)[C@H](NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C[C@@H]1C(=O)[O-]	REAL300008250068	0	41	-1.0	-49.59	359.34	4.87	-44.72
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C[C@@H]1C(=O)[O-]	REAL300008250069	0	44	-1.0	-51.77	360.14	6.17	-45.60
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C12	REAL300008250070	0	43	-1.0	-51.82	361.62	4.32	-47.50
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250071	0	42	-1.0	-50.49	362.25	5.14	-45.35
COCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250072	0	42	-1.0	-49.15	350.37	4.30	-44.85
CC1(C)[C@H](NS(=O)(=O)C2=C3OC(C)(C)CC3=CC=C2)C[C@@H]1C(=O)[O-]	REAL300008250073	0	46	-1.0	-50.32	363.23	5.86	-44.46
CCN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300008250074	0	38	-1.0	-50.87	321.39	3.15	-47.72
CC1(C)[C@H](NS(=O)(=O)CC2=CC=CC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300008250075	0	38	-1.0	-50.36	330.93	5.69	-44.67
CC1(C)[C@H](NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250076	0	42	-1.0	-50.06	364.94	5.07	-44.99
CC(C1CC1)N(C)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250077	0	43	-1.0	-46.94	339.52	4.63	-42.31
CC1(C)[C@H](NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C[C@@H]1C(=O)[O-]	REAL300008250078	0	43	-1.0	-53.75	355.37	5.16	-48.59
CC1(C)[C@H](NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300008250079	0	38	-1.0	-49.41	344.39	6.13	-43.28
CC1CC2=CC(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=CC=C2O1	REAL300008250080	0	43	-1.0	-48.99	352.22	5.19	-43.80
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250081	0	47	-1.0	-46.48	352.17	7.77	-38.71
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250082	0	47	-1.0	-51.49	381.20	3.48	-48.01
CC1(C)[C@H](NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C[C@@H]1C(=O)[O-]	REAL300008250083	0	41	-1.0	-50.97	352.81	4.79	-46.18
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2)=CO1	REAL300008250084	0	44	-1.0	-53.50	371.54	3.63	-49.87
CN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C(F)(F)F)=N1	REAL300008250085	0	38	-1.0	-53.59	333.62	3.47	-50.12
CN1C=C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C(F)(F)F)=N1	REAL300008250085	1	37	-2.0	-110.46	331.30	3.13	-107.33
CC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C(C)O1	REAL300008250086	0	38	-1.0	-48.88	304.10	3.61	-45.27
CC1=CSC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250087	0	35	-1.0	-47.24	308.72	4.23	-43.01
CC1(C)[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3O2)C[C@@H]1C(=O)[O-]	REAL300008250088	0	38	-1.0	-50.11	323.36	4.92	-45.19
CC1(C)[C@H]([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C[C@@H]1C(=O)[O-]	REAL300008250088	1	37	-2.0	-113.31	324.23	4.70	-108.61
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3OCOC3=C2)C[C@@H]1C(=O)[O-]	REAL300008250089	0	38	-1.0	-49.00	321.34	3.24	-45.76
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300008250090	0	38	-1.0	-48.94	322.48	1.27	-47.67
CC1(C)[C@H](NS(=O)(=O)C2=CN=C3CCCN23)C[C@@H]1C(=O)[O-]	REAL300008250091	0	39	-1.0	-53.84	315.34	3.63	-50.21
CC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)SC=C1	REAL300008250092	0	35	-1.0	-47.96	299.29	4.27	-43.69
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3OCCCC3=C2)C[C@@H]1C(=O)[O-]	REAL300008250093	0	43	-1.0	-49.06	349.00	5.21	-43.85
CC1(C)[C@H](NS(=O)(=O)C2CC3=CC=CC=C3C2)C[C@@H]1C(=O)[O-]	REAL300008250094	0	42	-1.0	-48.50	328.15	5.93	-42.57
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=N2)C=C1	REAL300008250095	0	45	-1.0	-51.76	377.27	6.38	-45.38
CC1CC2=CC(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=CC(Cl)=C2O1	REAL300008250096	0	43	-1.0	-49.23	369.03	5.70	-43.53
CC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC=C1[N+](=O)[O-]	REAL300008250097	0	40	-1.0	-48.73	339.38	5.76	-42.97
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300008250098	0	46	-1.0	-54.79	383.05	5.34	-49.45
CC1=NN(C)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250099	0	38	-1.0	-51.29	317.92	2.86	-48.43
CC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)N(C)N=C1	REAL300008250100	0	38	-1.0	-47.66	308.85	2.92	-44.74
CC1(C)[C@H](NS(=O)(=O)C2=CN=C3C=CSC3=C2)C[C@@H]1C(=O)[O-]	REAL300008250101	0	37	-1.0	-50.05	327.15	4.06	-45.99
CN(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250102	0	43	-1.0	-49.40	346.39	4.97	-44.43
CC1=CC2=CC=C(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2C=C1	REAL300008250103	0	44	-1.0	-49.65	362.43	7.50	-42.15
COC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)SC=C1	REAL300008250104	0	36	-1.0	-51.30	310.46	2.57	-48.73
CN(C)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250105	0	43	-1.0	-48.81	346.40	4.97	-43.84
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC3=C2OCC3)C[C@@H]1C(=O)[O-]	REAL300008250106	0	40	-1.0	-50.68	324.28	4.49	-46.19
CC1(C)[C@H](NS(=O)(=O)CC2=NOC3=CC=CC=C32)C[C@@H]1C(=O)[O-]	REAL300008250107	0	40	-1.0	-53.99	340.75	4.59	-49.40
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3CCOC3=C2)C[C@@H]1C(=O)[O-]	REAL300008250108	0	40	-1.0	-50.80	331.11	4.42	-46.38
CC1(C)[C@H](NS(=O)(=O)CCC2=CC=C(Cl)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250109	0	41	-1.0	-49.48	355.50	6.54	-42.94
CN1CCCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C21	REAL300008250110	0	47	-1.0	-50.05	369.23	5.12	-44.93
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C[C@@H]1C(=O)[O-]	REAL300008250111	0	37	-1.0	-49.15	330.79	3.89	-45.26
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250112	0	43	-1.0	-53.17	347.55	5.11	-48.06
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250113	0	43	-1.0	-50.15	354.82	6.53	-43.62
CC1=CC=C(C)C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1[N+](=O)[O-]	REAL300008250114	0	43	-1.0	-56.45	351.87	7.53	-48.92
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1[N+](=O)[O-]	REAL300008250115	0	43	-1.0	-48.45	353.37	6.51	-41.94
COC1=CC=C(CCS(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250116	0	45	-1.0	-50.70	368.27	5.32	-45.38
COC1=CN=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250117	0	38	-1.0	-49.34	319.87	2.06	-47.28
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300008250118	0	44	-1.0	-47.28	368.11	6.21	-41.07
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(C3CC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250119	0	42	-1.0	-48.00	344.50	6.69	-41.31
COC1=CC(OC)=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250120	0	43	-1.0	-50.04	352.43	3.14	-46.90
CC1(C)[C@H](NS(=O)(=O)CCC2CCCCC2)C[C@@H]1C(=O)[O-]	REAL300008250121	0	47	-1.0	-48.05	359.62	6.20	-41.85
CC1=CC=C(CCS(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250122	0	44	-1.0	-49.23	360.18	6.70	-42.53
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)OCO2	REAL300008250123	0	41	-1.0	-48.24	335.16	4.00	-44.24
CC1(C)[C@H](NS(=O)(=O)C2=C3OC=CC3=CC=C2)C[C@@H]1C(=O)[O-]	REAL300008250124	0	38	-1.0	-50.97	316.81	4.79	-46.18
COC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC=C1Cl	REAL300008250125	0	39	-1.0	-47.86	340.82	4.44	-43.42
CC1(C)[C@H](NS(=O)(=O)CCC2CCCC2)C[C@@H]1C(=O)[O-]	REAL300008250126	0	44	-1.0	-48.09	343.16	5.64	-42.45
CN1C=NC2=CC(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=CC=C21	REAL300008250127	0	41	-1.0	-54.73	343.42	5.92	-48.81
CC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=NC=CC=C2C=C1	REAL300008250128	0	43	-1.0	-53.66	348.95	6.39	-47.27
CC1=NC2=CC=C(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2O1	REAL300008250129	0	40	-1.0	-51.86	338.95	2.24	-49.62
CCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1CC	REAL300008250130	0	47	-1.0	-48.25	372.14	7.14	-41.11
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250131	0	43	-1.0	-47.00	349.39	6.79	-40.21
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250132	0	45	-1.0	-50.52	354.17	6.17	-44.35
CC1=C(C)SC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250133	0	38	-1.0	-47.36	325.66	4.89	-42.47
CC1(C)[C@H](NS(=O)(=O)C2=CC(Cl)=CN=C2N)C[C@@H]1C(=O)[O-]	REAL300008250134	0	36	-1.0	-46.45	316.21	2.43	-44.02
CC1=NC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300008250135	0	34	-1.0	-48.20	303.65	2.40	-45.80
CCC1=NC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300008250136	0	37	-1.0	-47.80	325.15	3.15	-44.65
CC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(N)=NO1	REAL300008250137	0	36	-1.0	-49.09	300.69	1.93	-47.16
CC1=C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(N)=NO1	REAL300008250137	1	35	-2.0	-98.66	300.90	1.69	-96.97
CN(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300008250138	0	42	-1.0	-50.58	344.07	4.40	-46.18
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300008250139	0	38	-1.0	-47.05	323.78	5.16	-41.89
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C[C@@H]1C(=O)[O-]	REAL300008250140	0	41	-1.0	-55.13	342.74	5.99	-49.14
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC3=C2OCO3)C[C@@H]1C(=O)[O-]	REAL300008250141	0	38	-1.0	-49.21	309.40	3.02	-46.19
CC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC(C)=C1F	REAL300008250142	0	41	-1.0	-47.26	342.19	5.91	-41.35
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C[C@@H]1C(=O)[O-]	REAL300008250143	0	42	-1.0	-52.16	351.29	4.33	-47.83
CC1(C)[C@H](NS(=O)(=O)CCCOCC2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300008250144	0	48	-1.0	-51.35	394.37	6.09	-45.26
CC1(C)[C@H](NS(=O)(=O)C2=CNC3=CC=CC(F)=C32)C[C@@H]1C(=O)[O-]	REAL300008250145	0	39	-1.0	-56.36	332.55	4.61	-51.75
CC1(C)[C@H](NS(=O)(=O)C2=C3N=CSC3=CC=C2)C[C@@H]1C(=O)[O-]	REAL300008250146	0	37	-1.0	-52.13	318.73	4.47	-47.66
CC1=NC(CS(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CS1	REAL300008250147	0	37	-1.0	-52.24	323.91	2.93	-49.31
COC(CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1	REAL300008250148	0	42	-1.0	-49.44	339.25	4.19	-45.25
CC1(C)[C@H](NS(=O)(=O)CC2=CC=C(Cl)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250149	0	38	-1.0	-49.51	335.67	5.79	-43.72
CC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC=C1Cl	REAL300008250150	0	38	-1.0	-47.02	330.63	5.67	-41.35
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C[C@@H]1C(=O)[O-]	REAL300008250151	0	41	-1.0	-53.75	343.40	5.57	-48.18
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C2)=N1	REAL300008250152	0	44	-1.0	-50.00	381.38	6.04	-43.96
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC3=C2OCCC3)C[C@@H]1C(=O)[O-]	REAL300008250153	0	43	-1.0	-51.06	347.52	5.77	-45.29
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C[C@@H]1C(=O)[O-]	REAL300008250154	0	42	-1.0	-56.69	360.39	2.44	-54.25
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC3=C2OCCCO3)C[C@@H]1C(=O)[O-]	REAL300008250155	0	44	-1.0	-51.31	346.29	4.86	-46.45
CC1(C)[C@H](NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300008250156	0	38	-1.0	-48.67	337.25	5.76	-42.91
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250157	0	48	-1.0	-48.57	385.34	6.25	-42.32
COC(CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCC1	REAL300008250158	0	48	-1.0	-49.06	368.01	4.93	-44.13
COC(CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCCC1	REAL300008250159	0	51	-1.0	-48.67	388.47	5.37	-43.30
CC1(C)[C@H](NS(=O)(=O)C2COC(C)(C)C2)C[C@@H]1C(=O)[O-]	REAL300008250160	0	42	-1.0	-48.39	333.00	3.15	-45.24
CCOC(CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1	REAL300008250161	0	45	-1.0	-49.03	359.27	4.87	-44.16
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1C(C)C	REAL300008250162	0	54	-1.0	-48.23	426.76	7.63	-40.60
CCC1=NC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CN1CC1CC1	REAL300008250163	0	48	-1.0	-53.30	386.94	6.37	-46.93
CC1(C)[C@H](NS(=O)(=O)C2=CN=C(C3CC3)S2)C[C@@H]1C(=O)[O-]	REAL300008250164	0	38	-1.0	-48.02	334.87	4.07	-43.95
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)=C1[N+](=O)[O-]	REAL300008250165	0	43	-1.0	-51.56	358.42	7.03	-44.53
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250166	0	42	-1.0	-47.62	340.24	4.39	-43.23
CC1(C)[C@H](NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300008250167	0	48	-1.0	-49.04	397.59	6.90	-42.14
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250168	0	38	-1.0	-47.43	330.00	2.74	-44.69
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C[C@@H]1C(=O)[O-]	REAL300008250169	0	46	-1.0	-49.20	395.92	8.68	-40.52
CC1(C)C(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CC1C(=O)[O-]	REAL300008250170	0	45	-1.0	-52.23	360.18	7.97	-44.26
CCC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C(C)C=C1OC	REAL300008250171	0	48	-1.0	-47.71	379.88	6.20	-41.51
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300008250172	0	36	-2.0	-121.85	321.74	3.29	-118.56
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300008250172	1	37	-1.0	-55.73	322.72	3.49	-52.24
CC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=CC=CC=C2C=C1	REAL300008250173	0	44	-1.0	-49.55	345.42	7.64	-41.91
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300008250174	0	44	-1.0	-48.85	364.46	3.13	-45.72
COC1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250175	0	39	-1.0	-50.30	328.44	4.52	-45.78
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1C(C)C	REAL300008250176	0	51	-1.0	-48.48	405.26	6.83	-41.65
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1F	REAL300008250177	0	47	-1.0	-47.54	373.52	6.83	-40.71
CC1(C)[C@H](NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250178	0	54	-1.0	-49.49	420.78	9.08	-40.41
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250179	0	45	-1.0	-47.93	349.16	4.57	-43.36
CN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C(C)(C)C)=N1	REAL300008250180	0	47	-1.0	-48.49	364.75	4.77	-43.72
CC1(C)[C@H](NS(=O)(=O)C2=CN(C3CCCC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300008250181	0	45	-1.0	-49.85	362.77	4.93	-44.92
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250182	0	38	-1.0	-47.34	324.01	3.33	-44.01
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250183	0	42	-1.0	-50.96	351.92	4.68	-46.28
C=CCCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250184	0	45	-1.0	-47.96	372.32	7.35	-40.61
CCC1=NN(C)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250185	0	41	-1.0	-51.01	340.55	3.61	-47.40
CCCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1C(C)C	REAL300008250186	0	57	-1.0	-48.10	448.25	8.41	-39.69
CC1(C)[C@H](NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300008250187	0	39	-1.0	-49.53	343.95	6.29	-43.24
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1C(C)(C)C	REAL300008250188	0	57	-1.0	-47.84	439.31	8.30	-39.54
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1CC	REAL300008250189	0	51	-1.0	-48.28	409.84	7.09	-41.19
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250190	0	41	-1.0	-46.26	340.86	6.72	-39.54
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250191	0	41	-1.0	-48.55	354.41	6.44	-42.11
CC1(C)[C@H](NS(=O)(=O)C=CC2=CC=CC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300008250192	0	39	-1.0	-49.44	341.45	6.19	-43.25
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250193	0	44	-1.0	-46.95	346.52	7.06	-39.89
COC1=NC=CC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250194	0	38	-1.0	-49.90	310.51	1.78	-48.12
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250195	0	51	-1.0	-51.20	407.86	7.28	-43.92
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C[C@@H]1C(=O)[O-]	REAL300008250196	0	40	-1.0	-53.63	330.12	5.08	-48.55
CC1=NC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)N1C	REAL300008250197	0	38	-1.0	-51.81	306.54	3.17	-48.64
CC1=CSC(C)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250198	0	38	-1.0	-46.38	314.63	5.15	-41.23
CC1(C)[C@H](NS(=O)(=O)C2=CN(C3CCC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300008250199	0	42	-1.0	-50.25	345.16	4.26	-45.99
CC1(C)[C@H](NS(=O)(=O)C2=CC=NN2C2CCC2)C[C@@H]1C(=O)[O-]	REAL300008250200	0	42	-1.0	-47.25	338.37	4.32	-42.93
CC1(C)[C@H](NS(=O)(=O)C2=CC=NN2CC2CCC2)C[C@@H]1C(=O)[O-]	REAL300008250201	0	45	-1.0	-47.63	356.52	4.73	-42.90
CC1(C)[C@H](NS(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C[C@@H]1C(=O)[O-]	REAL300008250202	0	46	-1.0	-50.27	364.47	2.61	-47.66
CC1(C)[C@H](NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C[C@@H]1C(=O)[O-]	REAL300008250203	0	41	-1.0	-49.26	361.97	5.47	-43.79
CC1(C)[C@H](NS(=O)(=O)C2=CN=C3CCCCN23)C[C@@H]1C(=O)[O-]	REAL300008250204	0	42	-1.0	-50.29	336.67	4.68	-45.61
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1C	REAL300008250205	0	51	-1.0	-47.70	396.48	6.62	-41.08
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250206	0	45	-1.0	-48.37	353.66	5.81	-42.56
CC1CC2=CC=CC(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=C2O1	REAL300008250207	0	43	-1.0	-50.24	342.92	5.25	-44.99
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300008250208	0	43	-1.0	-47.73	363.80	4.23	-43.50
CC1(C)[C@H](NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C[C@@H]1C(=O)[O-]	REAL300008250209	0	41	-1.0	-50.21	343.36	5.03	-45.18
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250210	0	40	-1.0	-58.24	334.13	4.12	-54.12
CCN1N=NC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250211	0	37	-1.0	-48.48	301.36	1.45	-47.03
CC1(C)[C@H](NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C[C@@H]1C(=O)[O-]	REAL300008250212	0	44	-1.0	-46.76	339.91	4.49	-42.27
CC1(C)[C@H](NS(=O)(=O)C2=CC3=NON=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300008250213	0	36	-1.0	-48.46	310.18	3.36	-45.10
CC1(C)[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3S2)C[C@@H]1C(=O)[O-]	REAL300008250214	0	38	-1.0	-48.81	332.29	5.98	-42.83
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250215	0	42	-1.0	-48.24	345.63	4.26	-43.98
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)=C1F	REAL300008250216	0	44	-1.0	-46.40	345.24	6.77	-39.63
COC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1OC	REAL300008250217	0	43	-1.0	-50.74	339.73	4.33	-46.41
CC1(C)[C@H](NS(=O)(=O)C2=COC3=CC=CC=C23)C[C@@H]1C(=O)[O-]	REAL300008250218	0	38	-1.0	-50.59	323.81	4.83	-45.76
CN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C2CCCC2)=N1	REAL300008250219	0	48	-1.0	-50.60	383.21	5.42	-45.18
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250220	0	47	-1.0	-50.64	372.48	5.13	-45.51
CCCCN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)=N1	REAL300008250221	0	47	-1.0	-50.76	382.27	5.28	-45.48
CN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C2CC2)=N1	REAL300008250222	0	42	-1.0	-51.20	351.05	4.40	-46.80
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250223	0	39	-1.0	-50.34	334.37	4.15	-46.19
CN1N=NC2=C(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=CC=C21	REAL300008250224	0	40	-1.0	-57.58	330.58	3.06	-54.52
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1Br	REAL300008250225	0	41	-1.0	-46.56	349.36	6.65	-39.91
CC1(C)[C@H](NS(=O)(=O)N2CCCC(C)(C)C2)C[C@@H]1C(=O)[O-]	REAL300008250226	0	46	-1.0	-46.84	349.98	5.03	-41.81
CC1(C)[C@H](NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C[C@@H]1C(=O)[O-]	REAL300008250227	0	41	-1.0	-48.31	363.33	5.70	-42.61
CN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C2CCC2)=N1	REAL300008250228	0	45	-1.0	-50.61	366.53	4.91	-45.70
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250229	0	53	-1.0	-46.99	405.67	8.45	-38.54
CC1(C)[C@H](NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300008250230	0	45	-1.0	-51.83	369.38	5.22	-46.61
CC1(C)[C@H](NS(=O)(=O)C2=C(C3CC3)C=CS2)C[C@@H]1C(=O)[O-]	REAL300008250231	0	39	-1.0	-48.00	331.87	5.76	-42.24
CC1(C)[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C[C@@H]1C(=O)[O-]	REAL300008250232	0	46	-1.0	-48.22	380.85	7.33	-40.89
COC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=NC=CC=C2C=C1	REAL300008250233	0	44	-1.0	-57.80	359.08	5.94	-51.86
CCCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250234	0	44	-1.0	-47.87	359.69	6.79	-41.08
CN1N=C2CCCC2=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250235	0	42	-1.0	-49.12	339.18	4.05	-45.07
CC1(C)[C@H](NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C[C@@H]1C(=O)[O-]	REAL300008250236	0	41	-1.0	-46.96	323.55	3.99	-42.97
CC1=CC=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250237	0	41	-1.0	-47.34	321.44	6.16	-41.18
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250238	0	44	-1.0	-47.20	339.70	4.51	-42.69
CC(C)(C)N1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300008250239	0	44	-1.0	-50.42	359.81	4.30	-46.12
CC1(C)[C@H](NS(=O)(=O)C2=CNN=C2C2CCC2)C[C@@H]1C(=O)[O-]	REAL300008250240	0	42	-1.0	-49.87	343.45	3.59	-46.28
CC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CN=C1C(F)(F)F	REAL300008250241	0	40	-1.0	-48.25	346.37	4.41	-43.84
CC1(C)[C@H](NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300008250242	0	38	-1.0	-46.27	340.77	5.66	-40.61
CC1=NN(C)C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250243	0	38	-1.0	-47.97	310.57	2.33	-45.64
CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1C	REAL300008250244	0	41	-1.0	-47.48	328.42	5.94	-41.54
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250245	0	46	-1.0	-55.36	379.88	6.61	-48.75
CC1(C)[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C[C@@H]1C(=O)[O-]	REAL300008250246	0	46	-1.0	-48.28	363.80	7.64	-40.64
CC1(C)[C@H](NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C[C@@H]1C(=O)[O-]	REAL300008250247	0	41	-1.0	-48.09	357.71	5.61	-42.48
CC1(C)[C@H](NS(=O)(=O)N2CC3=CC=CC=C3C2)C[C@@H]1C(=O)[O-]	REAL300008250248	0	41	-1.0	-47.96	337.73	5.03	-42.93
CC1(C)[C@H](NS(=O)(=O)CC2=NOC3=C2COCC3)C[C@@H]1C(=O)[O-]	REAL300008250249	0	42	-1.0	-52.86	346.59	2.86	-50.00
CC1(C)[C@H](NS(=O)(=O)C2=CSC=C2C(F)(F)F)C[C@@H]1C(=O)[O-]	REAL300008250250	0	35	-1.0	-49.79	313.71	4.92	-44.87
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC(C3CC3)=C2)C[C@@H]1C(=O)[O-]	REAL300008250251	0	42	-1.0	-48.02	344.52	6.69	-41.33
COC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=CS1	REAL300008250252	0	36	-1.0	-48.15	308.02	3.10	-45.05
CC1(C)[C@H](NS(=O)(=O)C2=CC=NN2C2CCCC2)C[C@@H]1C(=O)[O-]	REAL300008250253	0	45	-1.0	-47.66	358.49	5.15	-42.51
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250254	0	44	-1.0	-47.92	355.12	4.46	-43.46
CCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)O1	REAL300008250255	0	38	-1.0	-48.38	321.31	4.18	-44.20
CN(C1CCCCCC1)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250256	0	49	-1.0	-47.05	364.51	5.55	-41.50
CN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C2CCOCC2)=N1	REAL300008250257	0	49	-1.0	-50.62	390.19	3.62	-47.00
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250258	0	41	-1.0	-49.26	348.53	6.11	-43.15
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300008250259	0	39	-1.0	-50.61	334.55	4.16	-46.45
CC1(C)[C@H](NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C[C@@H]1C(=O)[O-]	REAL300008250260	0	50	-1.0	-48.73	383.98	6.98	-41.75
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300008250261	0	36	-1.0	-47.18	317.48	2.99	-44.19
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=NC=CC=C12	REAL300008250262	0	46	-1.0	-55.16	359.99	6.61	-48.55
CC1(C)[C@H](NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C[C@@H]1C(=O)[O-]	REAL300008250263	0	43	-1.0	-49.65	344.35	4.45	-45.20
CC1(C)[C@H](NS(=O)(=O)C2=CN(CCF)N=C2)C[C@@H]1C(=O)[O-]	REAL300008250264	0	38	-1.0	-50.40	327.98	3.28	-47.12
CCOCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250265	0	45	-1.0	-49.08	372.23	5.27	-43.81
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250266	0	45	-1.0	-49.89	368.63	5.58	-44.31
CC1(C)[C@H](NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300008250267	0	48	-1.0	-49.61	381.69	5.53	-44.08
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250268	0	46	-1.0	-49.52	383.83	7.43	-42.09
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC=C2CF)C[C@@H]1C(=O)[O-]	REAL300008250269	0	38	-1.0	-49.55	314.51	5.43	-44.12
CC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC(C)=C1Br	REAL300008250270	0	41	-1.0	-47.14	352.86	6.32	-40.82
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=CC=CC=C12	REAL300008250271	0	44	-1.0	-50.66	352.86	7.40	-43.26
CN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C2=CC=CC=C2)=N1	REAL300008250272	0	45	-1.0	-53.34	367.92	5.99	-47.35
CC1(C)[C@H](NS(=O)(=O)C=CC2=CC=C(F)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250273	0	39	-1.0	-48.49	331.99	5.79	-42.70
CC1(C)[C@H](NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C[C@@H]1C(=O)[O-]	REAL300008250274	0	39	-1.0	-49.50	348.51	6.39	-43.11
CC1(C)[C@H](NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250275	0	39	-1.0	-47.97	346.87	6.34	-41.63
CC1(C)[C@H](NS(=O)(=O)CCC2NC(=O)NC2=O)C[C@@H]1C(=O)[O-]	REAL300008250276	0	40	-1.0	-56.22	337.18	-1.56	-57.78
CC1(C)[C@H](NS(=O)(=O)C2=CN=C3C=CC=CN23)C[C@@H]1C(=O)[O-]	REAL300008250277	0	38	-1.0	-54.32	319.36	4.75	-49.57
CC1(C)[C@H](NS(=O)(=O)C2CCC(F)(F)CC2)C[C@@H]1C(=O)[O-]	REAL300008250278	0	41	-1.0	-54.22	329.08	4.96	-49.26
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3SC=NC3=C2)C[C@@H]1C(=O)[O-]	REAL300008250279	0	37	-1.0	-51.50	326.24	3.97	-47.53
CC1(C)[C@H](NS(=O)(=O)CCOC2CCOC2)C[C@@H]1C(=O)[O-]	REAL300008250280	0	43	-1.0	-49.56	348.66	1.73	-47.83
CC1(C)[C@H](NS(=O)(=O)CC2COCCO2)C[C@@H]1C(=O)[O-]	REAL300008250281	0	40	-1.0	-51.79	323.61	1.92	-49.87
CC1=NC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C(C2=CC=CC=C2)O1	REAL300008250282	0	44	-1.0	-52.32	369.72	3.71	-48.61
CC1=NC(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C(C2=CC=CC=C2)O1	REAL300008250282	1	43	-2.0	-121.87	369.10	3.25	-118.62
CC1(C)[C@H](NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C[C@@H]1C(=O)[O-]	REAL300008250283	0	52	-1.0	-47.81	370.49	7.42	-40.39
CC1(C)[C@H](NS(=O)(=O)CCN2C=NN=N2)C[C@@H]1C(=O)[O-]	REAL300008250284	0	36	-1.0	-57.55	309.95	2.43	-55.12
CC1(C)[C@H](NS(=O)(=O)CC2CC(C)(C)CO2)C[C@@H]1C(=O)[O-]	REAL300008250285	0	45	-1.0	-50.48	355.73	3.80	-46.68
CC1(C)[C@H](NS(=O)(=O)CC2CS(=O)(=O)C2)C[C@@H]1C(=O)[O-]	REAL300008250286	0	38	-1.0	-56.59	326.15	0.25	-56.34
CC(C)(CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)(F)F	REAL300008250287	0	43	-1.0	-48.74	332.50	4.98	-43.76
CC1(C)[C@H](NS(=O)(=O)CCCCS(C)(=O)=O)C[C@@H]1C(=O)[O-]	REAL300008250288	0	43	-1.0	-60.17	364.07	1.35	-58.82
CC1(C)[C@H](NS(=O)(=O)CC2CCC(C)(C)CO2)C[C@@H]1C(=O)[O-]	REAL300008250289	0	48	-1.0	-49.77	369.94	4.69	-45.08
CC1(C)[C@H](NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C(=O)[O-]	REAL300008250290	0	45	-1.0	-48.17	364.28	6.83	-41.34
CC1(C)[C@H](NS(=O)(=O)CC2=CC=CC3=NSN=C32)C[C@@H]1C(=O)[O-]	REAL300008250291	0	39	-1.0	-53.29	341.61	3.57	-49.72
CC1(C)[C@H](NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C[C@@H]1C(=O)[O-]	REAL300008250292	0	45	-1.0	-51.65	377.26	7.45	-44.20
CC1(C)[C@H](NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C[C@@H]1C(=O)[O-]	REAL300008250293	0	44	-1.0	-52.07	346.36	1.92	-50.15
COCCC1(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300008250294	0	42	-1.0	-47.85	325.26	3.22	-44.63
CCN1N=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300008250295	0	37	-1.0	-48.93	314.03	1.40	-47.53
CCN1N=CC(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300008250295	1	36	-2.0	-107.84	313.40	1.14	-106.70
CC1(C)[C@H](NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@@H]1C(=O)[O-]	REAL300008250296	0	48	-1.0	-47.89	361.08	6.52	-41.37
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(C3CC3)S2)C[C@@H]1C(=O)[O-]	REAL300008250297	0	39	-1.0	-47.52	338.92	5.89	-41.63
CC1(C)[C@H](NS(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C[C@@H]1C(=O)[O-]	REAL300008250298	0	57	-1.0	-48.19	425.05	8.77	-39.42
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250299	0	46	-1.0	-48.99	367.35	5.51	-43.48
CO[C@@H]1COC[C@@H]1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250300	0	40	-1.0	-50.14	321.88	1.45	-48.69
CCC1=NNC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250301	0	38	-1.0	-49.83	316.72	2.27	-47.56
COC1=CSC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1OC	REAL300008250302	0	40	-1.0	-48.63	339.23	2.26	-46.37
CC1(C)[C@H](NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C[C@@H]1C(=O)[O-]	REAL300008250303	0	47	-1.0	-46.71	355.04	5.01	-41.70
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250304	0	46	-1.0	-48.60	374.59	6.43	-42.17
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C[C@@H]1C(=O)[O-]	REAL300008250305	0	39	-1.0	-50.21	342.65	5.30	-44.91
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(F)=C1	REAL300008250306	0	39	-1.0	-48.84	332.10	4.11	-44.73
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(F)=C1	REAL300008250306	1	38	-2.0	-112.13	330.67	3.86	-108.27
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300008250307	0	39	-1.0	-49.93	340.77	4.23	-45.70
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250308	0	41	-1.0	-49.69	336.87	4.54	-45.15
CN1C=CC2=CC(S(=O)(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=CC=C21	REAL300008250309	0	42	-1.0	-52.16	349.01	6.34	-45.82
CC1(C)[C@H](NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C[C@@H]1C(=O)[O-]	REAL300008250310	0	44	-1.0	-48.16	374.04	5.06	-43.10
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250311	0	48	-1.0	-51.17	385.28	6.88	-44.29
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C[C@@H]1C(=O)[O-]	REAL300008250312	0	46	-1.0	-49.96	385.71	7.49	-42.47
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250313	0	41	-1.0	-52.84	331.29	6.52	-46.32
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C[C@@H]1C(=O)[O-]	REAL300008250314	0	36	-1.0	-49.42	327.09	3.53	-45.89
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250315	0	46	-1.0	-50.57	378.79	6.19	-44.38
CCN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C2CC2)=N1	REAL300008250316	0	45	-1.0	-51.50	374.02	5.30	-46.20
CC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=NSN=C2C=C1	REAL300008250317	0	39	-1.0	-51.17	331.49	3.92	-47.25
CC1(C)[C@H](NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300008250318	0	41	-1.0	-48.53	357.78	7.35	-41.18
CC1(C)[C@H](NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C[C@@H]1C(=O)[O-]	REAL300008250319	0	45	-1.0	-48.28	386.08	8.51	-39.77
CC1(C)[C@H](NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C[C@@H]1C(=O)[O-]	REAL300008250320	0	34	-1.0	-48.44	320.89	2.53	-45.91
CCC1=CC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC=C1Br	REAL300008250321	0	41	-1.0	-46.87	354.34	6.45	-40.42
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250322	0	48	-1.0	-47.26	377.95	5.62	-41.64
CC1(C)[C@H](NS(=O)(=O)C2=C(Cl)OC=C2)C[C@@H]1C(=O)[O-]	REAL300008250323	0	32	-1.0	-47.41	281.06	2.58	-44.83
CC1(C)[C@H](NS(=O)(=O)C2=CC(Cl)=CS2)C[C@@H]1C(=O)[O-]	REAL300008250324	0	32	-1.0	-46.32	303.94	4.08	-42.24
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250325	0	49	-1.0	-52.58	400.46	4.83	-47.75
CC1(C)[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C[C@@H]1C(=O)[O-]	REAL300008250326	0	41	-1.0	-49.93	352.86	7.38	-42.55
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250327	0	43	-1.0	-49.18	342.19	2.25	-46.93
CC1(C)[C@H](NS(=O)(=O)C2=CC=CC=C2C2CC2)C[C@@H]1C(=O)[O-]	REAL300008250328	0	42	-1.0	-48.17	336.87	6.77	-41.40
CC1(C)[C@H](NS(=O)(=O)N2CCC(C)(C)CC2)C[C@@H]1C(=O)[O-]	REAL300008250329	0	46	-1.0	-46.49	341.02	4.43	-42.06
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300008250330	0	50	-1.0	-49.06	397.01	4.95	-44.11
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250331	0	38	-1.0	-47.00	327.39	2.27	-44.73
COC1=NC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1C	REAL300008250332	0	41	-1.0	-48.82	342.62	2.00	-46.82
CC(C)CN1C=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=N1	REAL300008250333	0	44	-1.0	-50.46	362.55	4.67	-45.79
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250334	0	44	-1.0	-50.51	344.73	3.77	-46.74
CC1(C)[C@H](NS(=O)(=O)N2CCN(CC(F)F)CC2)C[C@@H]1C(=O)[O-]	REAL300008250335	0	45	-1.0	-48.52	354.63	2.28	-46.24
COCC1=CC(CS(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NO1	REAL300008250336	0	41	-1.0	-53.52	347.98	2.41	-51.11
CC1(C)[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C[C@@H]1C(=O)[O-]	REAL300008250337	0	40	-1.0	-48.73	347.28	6.75	-41.98
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)N=C1	REAL300008250338	0	46	-1.0	-48.73	366.00	4.93	-43.80
CC(C)N1N=CC=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250339	0	41	-1.0	-49.61	334.46	3.54	-46.07
CC1(C)[C@H](NS(=O)(=O)C2=CC=NN2CC2CC2)C[C@@H]1C(=O)[O-]	REAL300008250340	0	42	-1.0	-47.42	342.94	4.71	-42.71
CC1(C)[C@H](NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300008250341	0	42	-1.0	-50.58	345.50	5.37	-45.21
CC1(C)[C@H](NS(=O)(=O)C2=CC=C(C(F)F)C=N2)C[C@@H]1C(=O)[O-]	REAL300008250342	0	37	-1.0	-50.64	321.85	3.46	-47.18
CC1(C)[C@H](NS(=O)(=O)N2CCC3=CC=CN=C32)C[C@@H]1C(=O)[O-]	REAL300008250343	0	40	-1.0	-51.49	330.31	4.97	-46.52
CC1=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=NN1C(C)C	REAL300008250344	0	44	-1.0	-50.29	343.96	3.84	-46.45
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300008250345	0	49	-1.0	-48.95	403.90	8.11	-40.84
CC1(C)[C@H](NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C[C@@H]1C(=O)[O-]	REAL300008250346	0	40	-1.0	-52.65	327.54	5.16	-47.49
CC1=CN=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)=C1	REAL300008250347	0	40	-1.0	-49.72	327.72	4.18	-45.54
CC1(C)[C@H](NS(=O)(=O)N2CC=C(Br)CC2)C[C@@H]1C(=O)[O-]	REAL300008250348	0	38	-1.0	-48.67	322.44	4.07	-44.60
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250349	0	43	-1.0	-54.83	348.19	0.23	-54.60
CC1(C)[C@H](NS(=O)(=O)N2CC3CCC(C2)O3)C[C@@H]1C(=O)[O-]	REAL300008250350	0	42	-1.0	-47.14	324.85	2.63	-44.51
CC1(C)[C@H](NS(=O)(=O)N2CCC(C#N)CC2)C[C@@H]1C(=O)[O-]	REAL300008250351	0	41	-1.0	-54.06	327.12	3.82	-50.24
COC1=CC=NC(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250352	0	38	-1.0	-50.40	319.27	1.94	-48.46
C=CCN(CC=C)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250353	0	41	-1.0	-46.73	339.59	4.64	-42.09
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C(F)F)=C1	REAL300008250354	0	42	-1.0	-51.65	344.15	5.30	-46.35
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)N=C1	REAL300008250355	0	38	-1.0	-50.94	319.02	1.90	-49.04
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250356	0	41	-1.0	-46.86	349.61	2.75	-44.11
CC1(C)[C@H](NS(=O)(=O)C2=CC=NC3=CC=CC=C32)C[C@@H]1C(=O)[O-]	REAL300008250357	0	40	-1.0	-49.84	330.54	4.98	-44.86
CCOC1=CC=CN=C1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300008250358	0	41	-1.0	-53.91	335.95	3.89	-50.02
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C2=NC=CC=C12	REAL300008250359	0	43	-1.0	-53.74	341.74	6.32	-47.42
CC1(C)[C@H](NS(=O)(=O)C2=CNC3=CC=CC=C23)C[C@@H]1C(=O)[O-]	REAL300008250360	0	39	-1.0	-52.69	327.85	4.49	-48.20
CC1(C)[C@H](NS(=O)(=O)N2CCC(F)(F)C2)C[C@@H]1C(=O)[O-]	REAL300008250361	0	37	-1.0	-48.64	311.05	3.03	-45.61
CC1(C)[C@H](NS(=O)(=O)C2=CC(C(F)F)=CC=N2)C[C@@H]1C(=O)[O-]	REAL300008250362	0	37	-1.0	-53.85	323.81	3.57	-50.28
CC1(C)[C@H](NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C[C@@H]1C(=O)[O-]	REAL300008250363	0	42	-1.0	-52.01	366.48	5.49	-46.52
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300008250364	0	48	-1.0	-50.19	385.20	6.59	-43.60
CC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250365	0	37	-1.0	-53.48	321.47	4.26	-49.22
CCC(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250366	0	44	-1.0	-51.14	358.86	6.45	-44.69
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300008250367	0	29	-1.0	-48.31	290.61	3.48	-44.83
COC1=CC=C(C)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250368	0	39	-1.0	-53.99	329.91	4.29	-49.70
CC1=CC=C(Br)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250369	0	35	-1.0	-53.05	316.29	5.37	-47.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300008250370	0	36	-1.0	-48.93	325.39	4.09	-44.84
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300008250371	0	38	-1.0	-59.32	340.89	1.38	-57.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300008250372	0	36	-1.0	-47.27	326.19	3.65	-43.62
COC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300008250373	0	43	-1.0	-56.09	354.39	3.86	-52.23
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250374	0	35	-1.0	-50.35	311.65	5.26	-45.09
CN(C1CCCCC1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250375	0	43	-1.0	-48.50	336.50	4.35	-44.15
CC1=NN(C)C(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250376	0	38	-1.0	-54.92	315.37	2.86	-52.06
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300008250377	0	48	-1.0	-51.06	382.06	7.67	-43.39
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300008250378	0	38	-1.0	-55.64	324.70	3.01	-52.63
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2Br)C1	REAL300008250379	0	32	-1.0	-49.98	296.72	4.59	-45.39
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300008250380	0	32	-1.0	-47.93	301.50	4.48	-43.45
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250381	0	37	-1.0	-50.73	312.58	6.15	-44.58
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300008250382	0	38	-1.0	-54.09	343.06	5.86	-48.23
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250383	0	42	-1.0	-62.85	364.34	0.40	-62.45
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250384	0	43	-1.0	-49.29	362.65	5.69	-43.60
CC1=CC(F)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250385	0	35	-1.0	-53.44	308.02	4.59	-48.85
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300008250386	0	38	-1.0	-51.56	325.87	4.37	-47.19
COCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250387	0	39	-1.0	-51.94	335.25	3.59	-48.35
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300008250388	0	38	-1.0	-49.25	329.23	1.48	-47.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300008250389	0	41	-1.0	-62.85	365.22	2.06	-60.79
CC1(C(=O)[O-])CC(NS(=O)(=O)CCCS(C)(=O)=O)C1	REAL300008250390	0	37	-1.0	-66.42	330.05	-0.12	-66.54
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1C	REAL300008250391	0	42	-1.0	-52.99	340.10	4.65	-48.34
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300008250392	0	37	-1.0	-48.19	327.46	4.27	-43.92
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300008250393	0	35	-1.0	-50.78	325.30	5.19	-45.59
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300008250394	0	37	-1.0	-56.48	321.16	4.25	-52.23
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	REAL300008250395	0	42	-1.0	-58.20	348.28	-0.64	-58.84
CN(C1CCOCC1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250396	0	41	-1.0	-49.34	326.34	1.87	-47.47
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300008250397	0	41	-1.0	-58.32	353.63	5.11	-53.21
CCN1N=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1C	REAL300008250398	0	41	-1.0	-48.31	337.81	3.75	-44.56
CC(C)N1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300008250399	0	38	-1.0	-55.18	324.95	2.96	-52.22
CC(C)CN1C=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250400	0	41	-1.0	-56.64	341.45	5.46	-51.18
CC(C)N1C=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250401	0	38	-1.0	-56.42	322.34	4.59	-51.83
CC(C)C1=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN1	REAL300008250402	0	38	-1.0	-58.66	323.50	2.31	-56.35
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250403	0	44	-1.0	-50.38	331.41	6.00	-44.38
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300008250404	0	45	-1.0	-56.39	384.42	6.79	-49.60
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250405	0	40	-1.0	-69.47	346.67	3.27	-66.20
COC1=CC(Cl)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300008250406	0	40	-1.0	-50.95	352.40	3.62	-47.33
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300008250407	0	35	-1.0	-52.90	319.70	5.05	-47.85
CC1=C(F)C=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250408	0	35	-1.0	-49.52	300.11	4.77	-44.75
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300008250409	0	38	-1.0	-51.62	335.60	6.62	-45.00
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300008250410	0	37	-1.0	-45.97	331.93	6.02	-39.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300008250411	0	36	-1.0	-51.16	322.34	3.85	-47.31
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300008250412	0	39	-1.0	-47.97	332.82	5.48	-42.49
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250413	0	47	-1.0	-47.90	374.00	5.16	-42.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300008250414	0	35	-1.0	-49.83	314.36	4.79	-45.04
COCC1=CC=C(OC)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250415	0	43	-1.0	-57.23	363.57	3.35	-53.88
CC1=CC(S(=O)(=O)NC(C)CC2=CC=C(F)C=C2F)=CN=C1C(=O)[O-]	REAL300008263001	0	40	-1.0	-53.78	352.43	5.47	-48.31
CC(CC1=CC=C(F)C=C1F)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008263002	0	41	-1.0	-63.24	353.87	7.98	-55.26
CCOC1=CC=C(S(=O)(=O)NC(C)CC2=CC=C(F)C=C2F)C=C1C(=O)[O-]	REAL300008263003	0	45	-1.0	-63.63	388.95	7.70	-55.93
CC(CC1=CC=C(F)C=C1F)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008263004	0	45	-1.0	-51.74	385.32	8.61	-43.13
CC(CC1=CC=C(F)C=C1F)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008263005	0	37	-1.0	-49.85	325.98	5.84	-44.01
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1	REAL300008263006	0	43	-1.0	-49.01	346.33	4.50	-44.51
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263007	0	43	-1.0	-53.03	343.54	4.77	-48.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263008	0	46	-1.0	-55.46	359.48	5.71	-49.75
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263009	0	47	-1.0	-54.51	373.11	4.59	-49.92
CC1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1C(=O)[O-]	REAL300008263010	0	46	-1.0	-53.31	357.59	5.22	-48.09
O=C([O-])C1=C(S(=O)(=O)NC2CCC3COCCC3C2)C=CS1	REAL300008263011	0	40	-1.0	-47.38	324.82	4.45	-42.93
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263012	0	43	-1.0	-53.03	343.54	4.77	-48.26
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1	REAL300008263013	0	43	-1.0	-49.01	346.33	4.50	-44.51
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263014	0	43	-1.0	-49.70	327.49	5.43	-44.27
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3COCCC3C2)=CN1	REAL300008263015	0	41	-1.0	-51.01	332.84	2.49	-48.52
O=C([O-])CN1C=C(S(=O)(=O)NC2CCC3COCCC3C2)C=N1	REAL300008263016	0	43	-1.0	-51.34	346.23	2.77	-48.57
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)S1	REAL300008263017	0	40	-1.0	-47.09	336.28	3.92	-43.17
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263018	0	40	-1.0	-52.11	320.91	1.85	-50.26
O=C([O-])C1CCCN(S(=O)(=O)NC2CCC3COCCC3C2)C1	REAL300008263019	0	48	-1.0	-48.34	361.13	3.85	-44.49
O=C([O-])C1CCN(S(=O)(=O)NC2CCC3COCCC3C2)CC1	REAL300008263020	0	48	-1.0	-46.63	366.93	3.72	-42.91
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263021	0	43	-1.0	-49.70	327.49	5.43	-44.27
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263022	0	43	-1.0	-44.11	350.78	6.19	-37.92
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)O1	REAL300008263023	0	40	-1.0	-49.46	327.25	3.13	-46.33
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3COCCC3C2)O1	REAL300008263024	0	43	-1.0	-49.33	347.78	3.65	-45.68
O=C([O-])CCCS(=O)(=O)NC1CCC2COCCC2C1	REAL300008263025	0	42	-1.0	-51.78	331.52	3.10	-48.68
O=C([O-])C1CCCN1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263026	0	45	-1.0	-59.38	341.41	3.62	-55.76
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCC3COCCC3C2)C=C1	REAL300008263027	0	46	-1.0	-57.69	364.57	5.41	-52.28
O=C([O-])C1CCN(S(=O)(=O)NC2CCC3COCCC3C2)CC1	REAL300008263028	0	48	-1.0	-46.63	366.93	3.72	-42.91
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263029	0	46	-1.0	-59.57	366.79	5.49	-54.08
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)O1	REAL300008263030	0	40	-1.0	-49.46	327.25	3.13	-46.33
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1	REAL300008263031	0	47	-1.0	-48.61	377.43	4.76	-43.85
O=C([O-])CCCS(=O)(=O)NC1CCC2COCCC2C1	REAL300008263032	0	42	-1.0	-51.78	331.52	3.10	-48.68
O=C([O-])C1=CSC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263033	0	40	-1.0	-49.53	337.37	3.82	-45.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1C	REAL300008263034	0	49	-1.0	-57.03	372.27	5.97	-51.06
CC1=CC=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1C(=O)[O-]	REAL300008263035	0	46	-1.0	-54.33	362.12	5.88	-48.45
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263036	0	50	-1.0	-53.95	398.63	4.48	-49.47
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3COCCC3C2)=CS1	REAL300008263037	0	40	-1.0	-52.06	333.20	3.73	-48.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263038	0	46	-1.0	-48.65	354.60	5.50	-43.15
O=C([O-])C1=C(S(=O)(=O)NC2CCC3COCCC3C2)C2=CC=CC=C2S1	REAL300008263039	0	46	-1.0	-52.87	372.29	7.14	-45.73
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1	REAL300008263040	0	46	-1.0	-48.91	368.52	5.26	-43.65
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1[N+](=O)[O-]	REAL300008263041	0	48	-1.0	-42.55	381.82	5.80	-36.75
O=C([O-])C1=COC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263042	0	40	-1.0	-49.63	327.60	2.87	-46.76
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263043	0	46	-1.0	-52.04	365.76	5.54	-46.50
CC1=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C(C(=O)[O-])O1	REAL300008263044	0	43	-1.0	-53.00	345.36	3.75	-49.25
O=C([O-])C1=CN=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263045	0	42	-1.0	-46.88	338.80	2.95	-43.93
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O=C([O-])C1=C(S(=O)(=O)NC2CCC3COCCC3C2)SC=N1	REAL300008263047	0	39	-1.0	-55.05	326.36	2.53	-52.52
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263048	0	42	-1.0	-54.16	333.27	3.56	-50.60
O=C([O-])CCCCCS(=O)(=O)NC1CCC2COCCC2C1	REAL300008263049	0	48	-1.0	-53.13	374.51	4.66	-48.47
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=N1	REAL300008263050	0	42	-1.0	-51.19	337.43	2.87	-48.32
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263051	0	43	-1.0	-47.46	360.30	5.27	-42.19
COC1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1C(=O)[O-]	REAL300008263052	0	47	-1.0	-57.87	368.83	4.76	-53.11
CC1=CC(S(=O)(=O)NC2CCC3COCCC3C2)=CC=C1C(=O)[O-]	REAL300008263053	0	46	-1.0	-47.85	359.56	5.31	-42.54
CN(CCC(=O)[O-])S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263054	0	44	-1.0	-48.63	344.36	2.83	-45.80
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NC3CCC4COCCC4C3)C=CC=C12	REAL300008263055	0	48	-1.0	-52.52	382.99	5.05	-47.47
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263056	0	50	-1.0	-53.95	398.63	4.48	-49.47
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263057	0	43	-1.0	-47.46	360.30	5.27	-42.19
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263058	0	43	-1.0	-50.01	348.11	5.14	-44.87
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263059	0	46	-1.0	-50.48	368.61	5.84	-44.64
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3CCC4COCCC4C3)C=C21	REAL300008263060	0	49	-1.0	-51.60	388.48	6.03	-45.57
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCC3COCCC3C2)C=C1	REAL300008263061	0	46	-1.0	-57.69	364.57	5.41	-52.28
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263062	0	47	-1.0	-54.51	373.11	4.59	-49.92
CC1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1C(=O)[O-]	REAL300008263063	0	46	-1.0	-53.31	357.59	5.22	-48.09
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263064	0	46	-1.0	-55.46	359.48	5.71	-49.75
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263065	0	47	-1.0	-46.02	376.44	4.81	-41.21
O=C([O-])CC1(CS(=O)(=O)NC2CCC3COCCC3C2)CC1	REAL300008263066	0	46	-1.0	-48.53	351.57	4.60	-43.93
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263067	0	46	-1.0	-52.04	365.76	5.54	-46.50
COC1=C(S(=O)(=O)NC2CCC3COCCC3C2)SC(C(=O)[O-])=C1	REAL300008263068	0	44	-1.0	-47.09	363.73	3.06	-44.03
O=C([O-])C1CC2=CC(S(=O)(=O)NC3CCC4COCCC4C3)=CC=C2O1	REAL300008263069	0	48	-1.0	-49.13	380.40	5.43	-43.70
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3CCC4COCCC4C3)C=C2)CC1	REAL300008263070	0	50	-1.0	-53.19	389.70	6.66	-46.53
CCC1=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C(C(=O)[O-])O1	REAL300008263071	0	46	-1.0	-52.72	366.20	4.61	-48.11
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263072	0	45	-1.0	-44.39	362.25	6.34	-38.05
O=C([O-])C1=CC2=CC(S(=O)(=O)NC3CCC4COCCC4C3)=CC=C2S1	REAL300008263073	0	46	-1.0	-51.18	379.41	6.18	-45.00
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263074	0	45	-1.0	-39.19	362.44	6.34	-32.85
CC1=NC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1C(=O)[O-]	REAL300008263075	0	45	-1.0	-46.27	352.99	3.40	-42.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263076	0	47	-1.0	-48.25	373.15	4.60	-43.65
COC1=CC(S(=O)(=O)NC2CCC3COCCC3C2)=CC=C1C(=O)[O-]	REAL300008263077	0	47	-1.0	-53.69	370.84	4.85	-48.84
COC1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C(CC(=O)[O-])=C1	REAL300008263078	0	50	-1.0	-57.98	386.65	5.32	-52.66
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1F	REAL300008263079	0	46	-1.0	-50.77	371.11	5.59	-45.18
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1	REAL300008263080	0	52	-1.0	-50.72	401.27	6.16	-44.56
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263081	0	43	-1.0	-50.03	335.03	3.09	-46.94
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NC3CCC4COCCC4C3)C=CC=C12	REAL300008263082	0	49	-1.0	-50.50	381.07	7.05	-43.45
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263083	0	43	-1.0	-49.82	347.51	3.77	-46.05
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3COCCC3C2)=CC=C1Cl	REAL300008263084	0	43	-1.0	-49.84	356.08	5.16	-44.68
O=C([O-])C1=C(S(=O)(=O)NC2CCC3COCCC3C2)OC=C1	REAL300008263085	0	40	-1.0	-53.46	322.02	3.66	-49.80
O=C([O-])C1(S(=O)(=O)NC2CCC3COCCC3C2)CCC1	REAL300008263086	0	43	-1.0	-45.53	330.53	3.58	-41.95
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263087	0	47	-1.0	-48.82	363.44	4.99	-43.83
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263088	0	40	-1.0	-52.11	320.91	1.85	-50.26
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263089	0	43	-1.0	-50.03	335.03	3.09	-46.94
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1C(=O)[O-]	REAL300008263090	0	45	-2.0	-135.86	368.42	5.66	-130.20
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263091	0	50	-1.0	-53.53	391.49	4.91	-48.62
O=C([O-])C1=CC=NC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263092	0	42	-1.0	-46.98	339.75	2.88	-44.10
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC1CCC2COCCC2C1	REAL300008263093	0	46	-1.0	-55.48	355.86	5.87	-49.61
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC2CCC3COCCC3C2)=C1	REAL300008263094	0	40	-1.0	-45.64	344.45	3.47	-42.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3COCCC3C2)=C1	REAL300008263094	1	39	-2.0	-94.58	339.23	3.32	-91.26
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C2=CC=CC=C12	REAL300008263095	0	49	-1.0	-50.61	380.72	7.05	-43.56
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263096	0	50	-1.0	-54.08	394.89	5.52	-48.56
COC1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C(C(=O)[O-])=C1	REAL300008263097	0	47	-1.0	-51.23	363.50	4.97	-46.26
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3COCCC3C2)=CC=N1	REAL300008263098	0	42	-1.0	-54.03	339.75	2.99	-51.04
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3COCCC3C2)=NN1	REAL300008263099	0	40	-1.0	-44.22	325.87	0.98	-43.24
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263100	0	43	-1.0	-52.80	347.64	2.48	-50.32
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NC3CCC4COCCC4C3)C=C2C=C1	REAL300008263101	0	49	-1.0	-52.03	389.39	7.02	-45.01
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2CCC3COCCC3C2)C1	REAL300008263102	0	43	-1.0	-53.31	337.88	3.70	-49.61
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC2CCC3COCCC3C2)C1	REAL300008263103	0	46	-1.0	-54.62	350.59	4.08	-50.54
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3COCCC3C2)S1	REAL300008263104	0	43	-1.0	-49.37	359.02	4.28	-45.09
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263105	0	49	-1.0	-53.37	379.77	7.95	-45.42
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263106	0	46	-1.0	-57.01	352.36	6.06	-50.95
O=C([O-])C1=NC(S(=O)(=O)NC2CCC3COCCC3C2)=C2C=CC=CN12	REAL300008263107	0	46	-1.0	-66.39	369.57	3.36	-63.03
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC3CCC4COCCC4C3)=C2C=C1	REAL300008263108	0	46	-1.0	-44.72	369.69	5.96	-38.76
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC1CCC2COCCC2C1	REAL300008263109	0	43	-1.0	-54.16	344.54	3.89	-50.27
O=C([O-])C1CCCCN1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263110	0	48	-1.0	-47.44	353.60	4.87	-42.57
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3COCCC3C2)=NN1	REAL300008263111	0	40	-1.0	-44.22	325.87	0.98	-43.24
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263112	0	45	-1.0	-46.08	338.27	3.16	-42.92
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263113	0	40	-1.0	-52.11	320.91	1.85	-50.26
O=C([O-])C1=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C(Cl)S1	REAL300008263114	0	40	-1.0	-42.15	340.69	5.05	-37.10
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263115	0	43	-1.0	-57.66	320.59	4.41	-53.25
CC1=CC(S(=O)(=O)NC2CCC3COCCC3C2)=CN=C1C(=O)[O-]	REAL300008263116	0	45	-1.0	-51.88	354.19	3.44	-48.44
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263117	0	46	-1.0	-57.01	352.36	6.06	-50.95
CCOC1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1C(=O)[O-]	REAL300008263118	0	50	-1.0	-59.10	392.71	5.74	-53.36
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CCC4COCCC4C3)C=C2C1	REAL300008263119	0	50	-1.0	-52.25	386.98	6.57	-45.68
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC1CCC2COCCC2C1	REAL300008263120	0	42	-1.0	-44.40	322.96	3.64	-40.76
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC3CCC4COCCC4C3)C=C2C=C1	REAL300008263121	0	48	-1.0	-55.90	383.29	5.06	-50.84
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1	REAL300008263122	0	42	-1.0	-48.01	340.59	6.34	-41.67
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263123	0	42	-1.0	-53.05	339.77	6.24	-46.81
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263124	0	45	-1.0	-55.46	355.24	7.21	-48.25
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263125	0	46	-1.0	-54.97	352.68	6.03	-48.94
CC1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300008263126	0	45	-1.0	-51.57	355.51	6.75	-44.82
O=C([O-])C1=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=CS1	REAL300008263127	0	39	-1.0	-46.72	323.75	6.04	-40.68
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263128	0	42	-1.0	-53.05	339.77	6.24	-46.81
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1	REAL300008263129	0	42	-1.0	-48.01	340.59	6.34	-41.67
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263130	0	42	-1.0	-50.06	329.56	7.18	-42.88
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=CN1	REAL300008263131	0	40	-1.0	-50.81	329.19	3.99	-46.82
O=C([O-])CN1C=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=N1	REAL300008263132	0	42	-1.0	-49.37	344.77	4.36	-45.01
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)S1	REAL300008263133	0	39	-1.0	-46.87	331.32	5.41	-41.46
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263134	0	39	-1.0	-56.42	315.67	3.30	-53.12
O=C([O-])C1CCCN(S(=O)(=O)NC2CCC3(CCCC3)C2)C1	REAL300008263135	0	47	-1.0	-49.29	357.55	5.46	-43.83
O=C([O-])C1CCN(S(=O)(=O)NC2CCC3(CCCC3)C2)CC1	REAL300008263136	0	47	-1.0	-50.41	356.03	5.34	-45.07
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263137	0	42	-1.0	-50.06	329.56	7.18	-42.88
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263138	0	42	-1.0	-43.85	346.22	7.69	-36.16
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)O1	REAL300008263139	0	39	-1.0	-49.91	325.57	4.65	-45.26
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3(CCCC3)C2)O1	REAL300008263140	0	42	-1.0	-48.96	345.20	5.16	-43.80
O=C([O-])C1CCCN1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263141	0	44	-1.0	-57.96	336.67	5.19	-52.77
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCC3(CCCC3)C2)C=C1	REAL300008263142	0	45	-1.0	-56.64	363.07	6.94	-49.70
O=C([O-])C1CCN(S(=O)(=O)NC2CCC3(CCCC3)C2)CC1	REAL300008263143	0	47	-1.0	-50.41	356.03	5.34	-45.07
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263144	0	45	-1.0	-58.43	362.73	6.94	-51.49
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)O1	REAL300008263145	0	39	-1.0	-49.91	325.57	4.65	-45.26
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1	REAL300008263146	0	46	-1.0	-47.46	371.68	6.62	-40.84
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263147	0	46	-1.0	-45.15	379.20	7.32	-37.83
O=C([O-])C1=CSC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263148	0	39	-1.0	-48.82	331.76	5.29	-43.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1C	REAL300008263149	0	48	-1.0	-56.74	372.25	7.76	-48.98
CC1=CC=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1C(=O)[O-]	REAL300008263150	0	45	-1.0	-53.33	355.36	7.41	-45.92
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263151	0	49	-1.0	-53.00	394.51	5.93	-47.07
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=CS1	REAL300008263152	0	39	-1.0	-50.99	331.45	5.26	-45.73
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263153	0	45	-1.0	-42.10	368.24	8.12	-33.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263154	0	45	-1.0	-48.22	349.47	7.07	-41.15
O=C([O-])C1=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C2=CC=CC=C2S1	REAL300008263155	0	45	-1.0	-52.07	367.71	8.63	-43.44
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1	REAL300008263156	0	45	-1.0	-47.98	362.78	7.12	-40.86
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1[N+](=O)[O-]	REAL300008263157	0	47	-1.0	-41.91	377.74	7.25	-34.66
O=C([O-])C1=COC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263158	0	39	-1.0	-48.43	325.22	4.42	-44.01
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263159	0	45	-1.0	-50.88	361.65	6.99	-43.89
CC1=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C(C(=O)[O-])O1	REAL300008263160	0	42	-1.0	-52.73	343.85	5.41	-47.32
O=C([O-])C1=CN=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263161	0	41	-1.0	-46.96	334.70	4.43	-42.53
O=C([O-])C1=NSC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263162	0	38	-1.0	-50.54	318.13	4.56	-45.98
O=C([O-])C1=C(S(=O)(=O)NC2CCC3(CCCC3)C2)SC=N1	REAL300008263163	0	38	-1.0	-64.83	321.77	3.95	-60.88
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263164	0	41	-1.0	-53.62	325.95	5.36	-48.26
O=C([O-])CCCCCS(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263165	0	47	-1.0	-52.05	367.98	6.41	-45.64
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=N1	REAL300008263166	0	41	-1.0	-50.18	335.39	4.43	-45.75
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263167	0	42	-1.0	-47.41	356.50	6.75	-40.66
COC1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300008263168	0	46	-1.0	-58.62	366.74	6.29	-52.33
CC1=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=CC=C1C(=O)[O-]	REAL300008263169	0	45	-1.0	-47.54	355.78	6.78	-40.76
CN(CCC(=O)[O-])S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263170	0	43	-1.0	-48.12	336.32	4.39	-43.73
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NC3CCC4(CCCC4)C3)C=CC=C21	REAL300008263171	0	47	-1.0	-51.90	373.00	6.74	-45.16
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263172	0	49	-1.0	-53.00	394.51	5.93	-47.07
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263173	0	42	-1.0	-47.41	356.50	6.75	-40.66
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263174	0	42	-1.0	-52.21	336.25	6.56	-45.65
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263175	0	45	-1.0	-50.68	370.16	7.50	-43.18
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3CCC4(CCCC4)C3)C=C21	REAL300008263176	0	48	-1.0	-50.41	386.43	7.56	-42.85
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCC3(CCCC3)C2)C=C1	REAL300008263177	0	45	-1.0	-56.64	363.07	6.94	-49.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263178	0	46	-1.0	-54.97	352.68	6.03	-48.94
CC1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300008263179	0	45	-1.0	-51.57	355.51	6.75	-44.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263180	0	45	-1.0	-55.46	355.24	7.21	-48.25
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263181	0	46	-1.0	-45.31	374.91	6.34	-38.97
O=C([O-])CC1(CS(=O)(=O)NC2CCC3(CCCC3)C2)CC1	REAL300008263182	0	45	-1.0	-46.53	349.86	6.10	-40.43
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263183	0	45	-1.0	-50.88	361.65	6.99	-43.89
COC1=C(S(=O)(=O)NC2CCC3(CCCC3)C2)SC(C(=O)[O-])=C1	REAL300008263184	0	43	-1.0	-46.15	360.51	5.46	-40.69
O=C([O-])C1CC2=CC(S(=O)(=O)NC3CCC4(CCCC4)C3)=CC=C2O1	REAL300008263185	0	47	-1.0	-49.31	376.36	6.89	-42.42
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1C(F)(F)F	REAL300008263186	0	45	-1.0	-46.92	369.88	7.04	-39.88
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3CCC4(CCCC4)C3)C=C2)CC1	REAL300008263187	0	49	-1.0	-51.99	385.82	8.12	-43.87
CCC1=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C(C(=O)[O-])O1	REAL300008263188	0	45	-1.0	-52.52	364.83	6.15	-46.37
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263189	0	44	-1.0	-43.89	358.13	7.84	-36.05
O=C([O-])C1=CC2=CC(S(=O)(=O)NC3CCC4(CCCC4)C3)=CC=C2S1	REAL300008263190	0	45	-1.0	-50.26	377.28	7.71	-42.55
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263191	0	44	-1.0	-39.01	357.68	7.83	-31.18
CC1=NC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300008263192	0	44	-1.0	-45.58	351.29	4.94	-40.64
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263193	0	46	-1.0	-47.78	353.17	6.04	-41.74
COC1=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=CC=C1C(=O)[O-]	REAL300008263194	0	46	-1.0	-53.38	367.02	6.31	-47.07
COC1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C(CC(=O)[O-])=C1	REAL300008263195	0	49	-1.0	-56.91	382.20	6.96	-49.95
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1F	REAL300008263196	0	45	-1.0	-50.22	367.37	7.06	-43.16
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263197	0	45	-1.0	-46.15	378.48	7.23	-38.92
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1	REAL300008263198	0	51	-1.0	-49.46	395.52	8.01	-41.45
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263199	0	42	-1.0	-51.75	330.00	4.55	-47.20
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NC3CCC4(CCCC4)C3)C=CC=C12	REAL300008263200	0	48	-1.0	-50.14	376.86	8.49	-41.65
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263201	0	42	-1.0	-50.84	343.31	5.28	-45.56
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=CC=C1Cl	REAL300008263202	0	42	-1.0	-50.07	352.28	6.63	-43.44
O=C([O-])C1=C(S(=O)(=O)NC2CCC3(CCCC3)C2)OC=C1	REAL300008263203	0	39	-1.0	-59.35	315.23	4.69	-54.66
O=C([O-])C1(S(=O)(=O)NC2CCC3(CCCC3)C2)CCC1	REAL300008263204	0	42	-1.0	-43.22	319.30	5.32	-37.90
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263205	0	46	-1.0	-48.48	359.00	6.44	-42.04
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263206	0	39	-1.0	-56.42	315.67	3.30	-53.12
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263207	0	42	-1.0	-51.75	330.00	4.55	-47.20
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300008263208	0	44	-2.0	-135.56	366.61	7.19	-128.37
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263209	0	49	-1.0	-53.65	386.75	6.41	-47.24
O=C([O-])C1=CC=NC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263210	0	41	-1.0	-47.14	336.44	4.43	-42.71
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263211	0	45	-1.0	-56.78	353.12	7.39	-49.39
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263212	0	39	-1.0	-45.47	340.27	4.92	-40.55
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3(CCCC3)C2)=C1	REAL300008263212	1	38	-2.0	-96.59	335.10	4.71	-91.88
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C2=CC=CC=C12	REAL300008263213	0	48	-1.0	-50.20	376.59	8.54	-41.66
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263214	0	49	-1.0	-54.37	390.75	7.08	-47.29
COC1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C(C(=O)[O-])=C1	REAL300008263215	0	46	-1.0	-50.83	359.38	6.47	-44.36
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=CC=N1	REAL300008263216	0	41	-1.0	-54.07	335.96	4.47	-49.60
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=NN1	REAL300008263217	0	39	-1.0	-43.47	324.15	2.52	-40.95
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263218	0	42	-1.0	-54.15	339.92	4.08	-50.07
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NC3CCC4(CCCC4)C3)C=C2C=C1	REAL300008263219	0	48	-1.0	-51.05	385.32	8.48	-42.57
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2CCC3(CCCC3)C2)C1	REAL300008263220	0	42	-1.0	-51.68	326.94	5.24	-46.44
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC2CCC3(CCCC3)C2)C1	REAL300008263221	0	45	-1.0	-54.53	346.56	5.92	-48.61
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3(CCCC3)C2)S1	REAL300008263222	0	42	-1.0	-48.91	351.41	5.98	-42.93
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263223	0	48	-1.0	-53.28	375.40	9.42	-43.86
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2CCC3(CCCC3)C2)=C1	REAL300008263224	0	45	-1.0	-45.71	364.99	7.83	-37.88
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263225	0	45	-1.0	-56.05	352.58	7.49	-48.56
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NC1CCC3(CCCC3)C1)=C2	REAL300008263226	0	42	-1.0	-47.37	369.44	6.86	-40.51
O=C([O-])C1=NC(S(=O)(=O)NC2CCC3(CCCC3)C2)=C2C=CC=CN21	REAL300008263227	0	45	-1.0	-62.93	366.18	5.05	-57.88
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC3CCC4(CCCC4)C3)=C2C=C1	REAL300008263228	0	45	-1.0	-44.95	366.22	7.66	-37.29
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263229	0	42	-1.0	-53.10	335.19	5.60	-47.50
O=C([O-])C1CCCCN1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263230	0	47	-1.0	-50.89	352.03	6.19	-44.70
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=NN1	REAL300008263231	0	39	-1.0	-43.47	324.15	2.52	-40.95
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263232	0	44	-1.0	-44.70	331.27	4.82	-39.88
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263233	0	39	-1.0	-56.42	315.67	3.30	-53.12
O=C([O-])C1=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C(Cl)S1	REAL300008263234	0	39	-1.0	-41.62	340.32	6.71	-34.91
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263235	0	42	-1.0	-56.86	319.51	5.96	-50.90
CC1=CC(S(=O)(=O)NC2CCC3(CCCC3)C2)=CN=C1C(=O)[O-]	REAL300008263236	0	44	-1.0	-50.43	351.94	4.96	-45.47
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263237	0	45	-1.0	-56.05	352.58	7.49	-48.56
CCOC1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300008263238	0	49	-1.0	-59.02	388.60	7.19	-51.83
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CCC4(CCCC4)C3)C=C2C1	REAL300008263239	0	49	-1.0	-48.98	384.56	8.11	-40.87
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC1CCC2(CCCC2)C1	REAL300008263240	0	41	-1.0	-44.18	324.97	5.33	-38.85
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC3CCC4(CCCC4)C3)C=C2C=C1	REAL300008263241	0	47	-1.0	-54.28	381.19	6.60	-47.68
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1	REAL300008263242	0	36	-1.0	-48.22	303.70	5.37	-42.85
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263243	0	36	-1.0	-58.91	306.55	5.12	-53.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263244	0	39	-1.0	-61.10	321.59	6.00	-55.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263245	0	40	-1.0	-59.75	334.61	4.97	-54.78
CC1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1C(=O)[O-]	REAL300008263246	0	39	-1.0	-53.18	322.56	5.66	-47.52
O=C([O-])C1=C(S(=O)(=O)NC2CC3CC2CC3F)C=CS1	REAL300008263247	0	33	-1.0	-46.01	291.92	4.90	-41.11
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263248	0	36	-1.0	-58.91	306.55	5.12	-53.79
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1	REAL300008263249	0	36	-1.0	-48.22	303.70	5.37	-42.85
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263250	0	36	-1.0	-50.03	295.99	5.94	-44.09
O=C([O-])C1=CC(S(=O)(=O)NC2CC3CC2CC3F)=CN1	REAL300008263251	0	34	-1.0	-51.41	296.68	2.89	-48.52
O=C([O-])CN1C=C(S(=O)(=O)NC2CC3CC2CC3F)C=N1	REAL300008263252	0	36	-1.0	-53.98	311.09	3.25	-50.73
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)S1	REAL300008263253	0	33	-1.0	-47.17	300.25	4.24	-42.93
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263254	0	33	-1.0	-56.11	283.63	2.17	-53.94
O=C([O-])C1CCCN(S(=O)(=O)NC2CC3CC2CC3F)C1	REAL300008263255	0	41	-1.0	-53.78	322.85	4.12	-49.66
O=C([O-])C1CCN(S(=O)(=O)NC2CC3CC2CC3F)CC1	REAL300008263256	0	41	-1.0	-51.78	320.06	4.45	-47.33
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263257	0	36	-1.0	-50.03	295.99	5.94	-44.09
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263258	0	36	-1.0	-44.11	312.84	6.47	-37.64
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)O1	REAL300008263259	0	33	-1.0	-53.89	291.81	3.49	-50.40
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC3CC2CC3F)O1	REAL300008263260	0	36	-1.0	-51.02	310.02	3.94	-47.08
O=C([O-])C1CCCN1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263261	0	38	-1.0	-57.88	307.83	3.90	-53.98
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CC3CC2CC3F)C=C1	REAL300008263262	0	39	-1.0	-57.83	330.46	5.85	-51.98
O=C([O-])C1CCN(S(=O)(=O)NC2CC3CC2CC3F)CC1	REAL300008263263	0	41	-1.0	-51.78	320.06	4.45	-47.33
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263264	0	39	-1.0	-59.23	332.08	5.88	-53.35
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)O1	REAL300008263265	0	33	-1.0	-53.89	291.81	3.49	-50.40
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1	REAL300008263266	0	40	-1.0	-50.43	337.78	5.41	-45.02
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263267	0	40	-1.0	-45.79	346.15	6.09	-39.70
O=C([O-])C1=CSC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263268	0	33	-1.0	-51.65	296.85	4.38	-47.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1C	REAL300008263269	0	42	-1.0	-62.44	339.13	6.54	-55.90
CC1=CC=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1C(=O)[O-]	REAL300008263270	0	39	-1.0	-53.94	324.21	6.16	-47.78
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263271	0	43	-1.0	-54.41	363.22	4.87	-49.54
O=C([O-])C1=CC(S(=O)(=O)NC2CC3CC2CC3F)=CS1	REAL300008263272	0	33	-1.0	-52.66	296.83	4.43	-48.23
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263273	0	39	-1.0	-46.68	332.51	7.23	-39.45
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263274	0	39	-1.0	-49.14	316.90	5.76	-43.38
O=C([O-])C1=C(S(=O)(=O)NC2CC3CC2CC3F)C2=CC=CC=C2S1	REAL300008263275	0	39	-1.0	-60.30	328.55	7.30	-53.00
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1	REAL300008263276	0	39	-1.0	-48.94	325.88	6.14	-42.80
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1[N+](=O)[O-]	REAL300008263277	0	41	-1.0	-43.01	346.44	6.19	-36.82
O=C([O-])C1=COC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263278	0	33	-1.0	-48.87	293.69	3.25	-45.62
O=C([O-])C1=COC(S(=O)(=O)[N-]C2CC3CC2CC3F)=C1	REAL300008263278	1	32	-2.0	-103.00	285.50	3.05	-99.95
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263279	0	39	-1.0	-55.23	328.72	5.90	-49.33
CC1=C(S(=O)(=O)NC2CC3CC2CC3F)C=C(C(=O)[O-])O1	REAL300008263280	0	36	-1.0	-52.81	313.40	4.23	-48.58
O=C([O-])C1=CN=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263281	0	35	-1.0	-46.64	303.34	3.37	-43.27
O=C([O-])C1=NSC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263282	0	32	-1.0	-51.16	285.60	3.39	-47.77
O=C([O-])C1=C(S(=O)(=O)NC2CC3CC2CC3F)SC=N1	REAL300008263283	0	32	-1.0	-63.81	288.07	2.76	-61.05
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263284	0	35	-1.0	-52.94	294.70	4.19	-48.75
O=C([O-])CCCCCS(=O)(=O)NC1CC2CC1CC2F	REAL300008263285	0	41	-1.0	-54.40	332.79	5.56	-48.84
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=N1	REAL300008263286	0	35	-1.0	-51.46	304.03	3.38	-48.08
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263287	0	36	-1.0	-46.92	324.89	5.67	-41.25
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263288	0	36	-1.0	-46.87	329.45	5.77	-41.10
COC1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1C(=O)[O-]	REAL300008263289	0	40	-1.0	-59.25	333.82	5.19	-54.06
CC1=CC(S(=O)(=O)NC2CC3CC2CC3F)=CC=C1C(=O)[O-]	REAL300008263290	0	39	-1.0	-47.75	318.59	5.90	-41.85
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NC3CC4CC3CC4F)C=CC=C12	REAL300008263291	0	41	-1.0	-53.35	339.87	5.52	-47.83
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263292	0	43	-1.0	-54.41	363.22	4.87	-49.54
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263293	0	36	-1.0	-46.92	324.89	5.67	-41.25
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263294	0	36	-1.0	-49.45	305.96	5.77	-43.68
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263295	0	39	-1.0	-54.93	335.52	6.41	-48.52
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3CC4CC3CC4F)C=C12	REAL300008263296	0	42	-1.0	-52.14	355.12	6.50	-45.64
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CC3CC2CC3F)C=C1	REAL300008263297	0	39	-1.0	-57.83	330.46	5.85	-51.98
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263298	0	40	-1.0	-59.75	334.61	4.97	-54.78
CC1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1C(=O)[O-]	REAL300008263299	0	39	-1.0	-53.18	322.56	5.66	-47.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263300	0	39	-1.0	-61.10	321.59	6.00	-55.10
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263301	0	40	-1.0	-49.71	341.56	5.17	-44.54
O=C([O-])CC1(CS(=O)(=O)NC2CC3CC2CC3F)CC1	REAL300008263302	0	39	-1.0	-47.33	314.25	4.93	-42.40
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263303	0	39	-1.0	-55.23	328.72	5.90	-49.33
COC1=C(S(=O)(=O)NC2CC3CC2CC3F)SC(C(=O)[O-])=C1	REAL300008263304	0	37	-1.0	-45.94	328.54	4.34	-41.60
O=C([O-])C1CC2=CC(S(=O)(=O)NC3CC4CC3CC4F)=CC=C2O1	REAL300008263305	0	41	-1.0	-50.79	344.98	5.84	-44.95
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1C(F)(F)F	REAL300008263306	0	39	-1.0	-46.50	333.67	6.16	-40.34
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3CC4CC3CC4F)C=C2)CC1	REAL300008263307	0	43	-1.0	-53.94	351.31	7.27	-46.67
CCC1=C(S(=O)(=O)NC2CC3CC2CC3F)C=C(C(=O)[O-])O1	REAL300008263308	0	39	-1.0	-52.36	332.94	5.03	-47.33
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263309	0	38	-1.0	-43.41	324.32	6.61	-36.80
O=C([O-])C1=CC2=CC(S(=O)(=O)NC3CC4CC3CC4F)=CC=C2S1	REAL300008263310	0	39	-1.0	-52.07	344.42	6.62	-45.45
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263311	0	38	-1.0	-39.69	324.28	6.62	-33.07
CC1=NC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1C(=O)[O-]	REAL300008263312	0	38	-1.0	-45.98	319.63	3.88	-42.10
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263313	0	40	-1.0	-51.77	334.65	5.00	-46.77
COC1=CC(S(=O)(=O)NC2CC3CC2CC3F)=CC=C1C(=O)[O-]	REAL300008263314	0	40	-1.0	-53.52	330.82	5.44	-48.08
COC1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C(CC(=O)[O-])=C1	REAL300008263315	0	43	-1.0	-58.10	348.61	5.71	-52.39
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1F	REAL300008263316	0	39	-1.0	-52.78	334.17	5.95	-46.83
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263317	0	39	-1.0	-46.69	347.20	6.16	-40.53
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1	REAL300008263318	0	45	-1.0	-50.92	358.62	7.03	-43.89
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263319	0	36	-1.0	-49.68	298.79	3.44	-46.24
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NC3CC4CC3CC4F)C=CC=C12	REAL300008263320	0	42	-1.0	-52.10	343.02	7.33	-44.77
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263321	0	36	-1.0	-55.01	309.75	4.07	-50.94
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263322	0	36	-1.0	-44.05	317.41	6.57	-37.48
O=C([O-])C1=CC(S(=O)(=O)NC2CC3CC2CC3F)=CC=C1Cl	REAL300008263323	0	36	-1.0	-51.75	319.04	5.52	-46.23
O=C([O-])C1=C(S(=O)(=O)NC2CC3CC2CC3F)OC=C1	REAL300008263324	0	33	-1.0	-58.29	285.01	3.89	-54.40
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263325	0	40	-1.0	-49.04	325.47	5.27	-43.77
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC2CC3CC2CC3F)=C1OC	REAL300008263326	0	48	-1.0	-52.92	395.97	6.29	-46.63
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263327	0	33	-1.0	-56.11	283.63	2.17	-53.94
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263328	0	36	-1.0	-49.68	298.79	3.44	-46.24
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1C(=O)[O-]	REAL300008263329	0	38	-2.0	-139.30	333.39	6.09	-133.21
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263330	0	43	-1.0	-58.67	353.24	5.24	-53.43
O=C([O-])C1=CC=NC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263331	0	35	-1.0	-47.44	304.91	3.27	-44.17
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC1CC2CC1CC2F	REAL300008263332	0	39	-1.0	-59.04	315.69	6.49	-52.55
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC3CC2CC3F)=C1	REAL300008263333	0	32	-2.0	-98.37	299.70	3.59	-94.78
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263333	1	33	-1.0	-47.66	306.68	3.76	-43.90
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C2=CC=CC=C12	REAL300008263334	0	42	-1.0	-50.72	344.59	7.36	-43.36
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263335	0	43	-1.0	-59.33	356.46	5.90	-53.43
COC1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C(C(=O)[O-])=C1	REAL300008263336	0	40	-1.0	-50.72	325.51	5.25	-45.47
O=C([O-])C1=CC(S(=O)(=O)NC2CC3CC2CC3F)=CC=N1	REAL300008263337	0	35	-1.0	-60.81	302.60	3.36	-57.45
O=C([O-])C1=CC(S(=O)(=O)NC2CC3CC2CC3F)=NN1	REAL300008263338	0	33	-1.0	-45.58	290.54	1.36	-44.22
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263339	0	36	-1.0	-54.73	303.89	2.77	-51.96
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NC3CC4CC3CC4F)C=C2C=C1	REAL300008263340	0	42	-1.0	-52.57	354.06	7.43	-45.14
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC2CC3CC2CC3F)C1	REAL300008263341	0	39	-1.0	-55.46	310.50	5.02	-50.44
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC3CC2CC3F)S1	REAL300008263342	0	36	-1.0	-49.58	319.51	4.86	-44.72
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263343	0	42	-1.0	-52.14	343.55	8.28	-43.86
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2CC3CC2CC3F)=C1	REAL300008263344	0	39	-1.0	-50.30	331.32	6.65	-43.65
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263345	0	39	-1.0	-57.55	319.10	6.42	-51.13
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NC1CC3CC1CC3F)=C2	REAL300008263346	0	36	-1.0	-48.53	337.82	5.72	-42.81
O=C([O-])C1=NC(S(=O)(=O)NC2CC3CC2CC3F)=C2C=CC=CN12	REAL300008263347	0	39	-1.0	-64.95	335.05	3.79	-61.16
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC3CC4CC3CC4F)=C2C=C1	REAL300008263348	0	39	-1.0	-46.26	330.25	6.58	-39.68
O=C([O-])C1CCCCN1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263349	0	41	-1.0	-50.90	320.74	5.06	-45.84
O=C([O-])C1=CC(S(=O)(=O)NC2CC3CC2CC3F)=NN1	REAL300008263350	0	33	-1.0	-45.58	290.54	1.36	-44.22
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263351	0	38	-1.0	-61.95	305.97	4.27	-57.68
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263352	0	33	-1.0	-56.11	283.63	2.17	-53.94
O=C([O-])C1=C(S(=O)(=O)NC2CC3CC2CC3F)C=C(Cl)S1	REAL300008263353	0	33	-1.0	-41.97	307.28	5.48	-36.49
CC1=CC(S(=O)(=O)NC2CC3CC2CC3F)=CN=C1C(=O)[O-]	REAL300008263354	0	38	-1.0	-51.80	320.79	3.91	-47.89
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263355	0	39	-1.0	-57.55	319.10	6.42	-51.13
CCOC1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1C(=O)[O-]	REAL300008263356	0	43	-1.0	-65.25	355.67	6.10	-59.15
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CC4CC3CC4F)C=C2C1	REAL300008263357	0	43	-1.0	-52.08	353.59	7.05	-45.03
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC1CC2CC1CC2F	REAL300008263358	0	35	-1.0	-46.80	284.71	4.26	-42.54
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC3CC4CC3CC4F)C=C2C=C1	REAL300008263359	0	41	-1.0	-55.73	349.91	5.55	-50.18
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)OC	REAL300008263360	0	36	-1.0	-49.61	319.03	1.24	-48.37
COC[C@@H](CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)OC	REAL300008263361	0	36	-1.0	-55.50	319.63	1.30	-54.20
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)OC	REAL300008263362	0	39	-1.0	-53.76	334.24	2.20	-51.56
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)OC	REAL300008263363	0	40	-1.0	-56.70	340.19	1.09	-55.61
COC[C@@H](CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)OC	REAL300008263364	0	39	-1.0	-55.58	339.45	1.90	-53.68
COC[C@@H](CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1)OC	REAL300008263365	0	33	-1.0	-49.45	303.21	1.02	-48.43
COC[C@@H](CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)OC	REAL300008263366	0	36	-1.0	-55.50	319.63	1.30	-54.20
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)OC	REAL300008263367	0	36	-1.0	-49.61	319.03	1.24	-48.37
COC[C@@H](CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])OC	REAL300008263368	0	36	-1.0	-53.26	308.97	2.17	-51.09
COC[C@@H](CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)OC	REAL300008263369	0	36	-1.0	-52.37	324.14	-0.59	-52.96
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1)OC	REAL300008263370	0	33	-1.0	-47.87	311.85	0.42	-47.45
COC[C@@H](CNS(=O)(=O)N1CCCC(C(=O)[O-])C1)OC	REAL300008263371	0	41	-1.0	-49.83	334.91	0.29	-49.54
COC[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)OC	REAL300008263372	0	41	-1.0	-53.54	336.48	0.40	-53.14
COC[C@@H](CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])OC	REAL300008263373	0	36	-1.0	-53.26	308.97	2.17	-51.09
COC[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])OC	REAL300008263374	0	36	-1.0	-46.77	325.38	2.71	-44.06
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1)OC	REAL300008263375	0	36	-1.0	-50.10	322.40	0.09	-50.01
COC[C@@H](CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)OC	REAL300008263376	0	39	-1.0	-60.90	342.83	1.96	-58.94
COC[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)OC	REAL300008263377	0	41	-1.0	-53.54	336.48	0.40	-53.14
COC[C@@H](CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)OC	REAL300008263378	0	39	-1.0	-61.56	342.83	1.95	-59.61
COC[C@@H](CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)OC	REAL300008263379	0	40	-1.0	-49.77	350.88	1.55	-48.22
COC[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC)OC	REAL300008263380	0	40	-1.0	-45.18	350.43	2.26	-42.92
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1)OC	REAL300008263381	0	33	-1.0	-51.46	312.82	0.32	-51.14
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)OC	REAL300008263382	0	42	-1.0	-57.44	351.41	2.71	-54.73
COC[C@@H](CNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-])OC	REAL300008263383	0	39	-1.0	-57.13	336.69	2.33	-54.80
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@H](COC)OC)=C1	REAL300008263384	0	43	-1.0	-56.30	374.65	1.00	-55.30
COC[C@@H](CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1)OC	REAL300008263385	0	33	-1.0	-50.30	311.28	0.32	-49.98
COC[C@@H](CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-])OC	REAL300008263386	0	39	-1.0	-45.05	347.64	3.16	-41.89
COC[C@@H](CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)OC	REAL300008263387	0	39	-1.0	-51.34	328.68	2.06	-49.28
COC[C@@H](CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21)OC	REAL300008263388	0	39	-1.0	-52.55	344.86	3.71	-48.84
COC[C@@H](CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)OC	REAL300008263389	0	39	-1.0	-49.83	341.98	2.05	-47.78
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1)OC	REAL300008263390	0	41	-1.0	-41.79	357.76	2.32	-39.47
COC[C@@H](CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)OC	REAL300008263391	0	39	-1.0	-53.41	341.80	2.07	-51.34
COC[C@@H](CNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)OC	REAL300008263392	0	36	-1.0	-52.10	324.02	0.39	-51.71
COC[C@@H](CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)OC	REAL300008263393	0	35	-1.0	-49.17	314.76	-0.52	-49.69
COC[C@@H](CNS(=O)(=O)C1=CSN=C1C(=O)[O-])OC	REAL300008263394	0	32	-1.0	-53.90	297.39	-0.45	-54.35
COC[C@@H](CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1)OC	REAL300008263395	0	32	-1.0	-59.82	300.05	-0.99	-60.81
COC[C@@H](CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-])OC	REAL300008263396	0	35	-1.0	-54.53	308.02	0.23	-54.30
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)OC	REAL300008263397	0	35	-1.0	-51.33	315.30	-0.54	-51.87
COC[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)OC	REAL300008263398	0	36	-1.0	-49.68	336.32	1.80	-47.88
COC[C@@H](CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)OC	REAL300008263399	0	36	-1.0	-49.60	340.88	1.90	-47.70
COC[C@@H](CNS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)OC	REAL300008263400	0	40	-1.0	-57.57	346.72	1.32	-56.25
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)OC	REAL300008263401	0	39	-1.0	-49.28	335.58	1.83	-47.45
COC[C@@H](CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12)OC	REAL300008263402	0	41	-1.0	-54.35	352.42	1.69	-52.66
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@H](COC)OC)=C1	REAL300008263403	0	43	-1.0	-56.30	374.65	1.00	-55.30
COC[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)OC	REAL300008263404	0	36	-1.0	-49.68	336.32	1.80	-47.88
COC[C@@H](CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1C)OC	REAL300008263405	0	36	-1.0	-50.82	318.78	1.98	-48.84
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)OC	REAL300008263406	0	39	-1.0	-48.87	348.33	2.61	-46.26
COC[C@@H](CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1)OC	REAL300008263407	0	42	-1.0	-52.27	365.99	2.57	-49.70
COC[C@@H](CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)OC	REAL300008263408	0	39	-1.0	-60.90	342.83	1.96	-58.94
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)OC	REAL300008263409	0	40	-1.0	-56.70	340.19	1.09	-55.61
COC[C@@H](CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)OC	REAL300008263410	0	39	-1.0	-55.58	339.45	1.90	-53.68
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)OC	REAL300008263411	0	39	-1.0	-53.76	334.24	2.20	-51.56
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC)OC	REAL300008263412	0	40	-1.0	-47.56	352.29	1.28	-46.28
COC[C@@H](CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)OC	REAL300008263413	0	39	-1.0	-53.41	341.80	2.07	-51.34
COC[C@@H](CNS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1)OC	REAL300008263414	0	37	-1.0	-47.98	337.82	-0.42	-48.40
COC[C@@H](CNS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1)OC	REAL300008263415	0	39	-1.0	-46.96	357.55	2.45	-44.51
COC[C@@H](CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1)OC	REAL300008263416	0	41	-1.0	-50.34	356.40	1.95	-48.39
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)OC	REAL300008263417	0	39	-1.0	-49.13	349.74	2.11	-47.02
COC[C@@H](CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1)OC	REAL300008263418	0	43	-1.0	-54.63	365.17	3.12	-51.51
CCC1=C(S(=O)(=O)NC[C@H](COC)OC)C=C(C(=O)[O-])O1	REAL300008263419	0	39	-1.0	-54.07	340.04	1.08	-52.99
COC[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])OC	REAL300008263420	0	38	-1.0	-47.75	337.20	2.84	-44.91
COC[C@@H](CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1)OC	REAL300008263421	0	39	-1.0	-53.05	357.30	2.75	-50.30
COC[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])OC	REAL300008263422	0	38	-1.0	-41.62	337.09	2.88	-38.74
COC[C@@H](CNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1)OC	REAL300008263423	0	38	-1.0	-47.14	335.21	0.10	-47.04
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)OC	REAL300008263424	0	40	-1.0	-49.61	340.00	1.13	-48.48
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1)OC	REAL300008263425	0	40	-1.0	-54.75	346.70	1.33	-53.42
COC[C@@H](CNS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-])OC	REAL300008263426	0	43	-1.0	-59.35	360.24	1.87	-57.48
COC[C@@H](CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)OC	REAL300008263427	0	39	-1.0	-52.27	347.06	2.08	-50.19
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)OC	REAL300008263428	0	39	-1.0	-48.48	358.64	2.30	-46.18
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)OC	REAL300008263429	0	45	-1.0	-51.52	372.21	2.87	-48.65
COC[C@@H](CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)OC	REAL300008263430	0	36	-1.0	-48.18	311.51	-0.37	-48.55
COC[C@@H](CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)OC	REAL300008263431	0	42	-1.0	-52.07	355.64	3.52	-48.55
COC[C@@H](CNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1)OC	REAL300008263432	0	36	-1.0	-49.72	322.13	0.21	-49.51
COC[C@@H](CNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-])OC	REAL300008263433	0	36	-1.0	-46.66	329.94	2.82	-43.84
COC[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)OC	REAL300008263434	0	36	-1.0	-50.06	331.94	1.65	-48.41
COC[C@@H](CNS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-])OC	REAL300008263435	0	40	-1.0	-51.37	338.03	1.51	-49.86
COC[C@@H](CNS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC)OC	REAL300008263436	0	48	-1.0	-51.98	406.74	2.38	-49.60
COC[C@@H](CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)OC	REAL300008263437	0	36	-1.0	-48.18	311.51	-0.37	-48.55
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)OC	REAL300008263438	0	38	-2.0	-132.92	346.11	2.20	-130.72
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H](COC)OC	REAL300008263439	0	43	-1.0	-53.74	364.45	1.51	-52.23
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)OC	REAL300008263440	0	35	-1.0	-47.31	315.78	-0.62	-47.93
COC[C@@H](CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])OC	REAL300008263441	0	39	-1.0	-58.43	332.93	2.40	-56.03
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC	REAL300008263442	0	33	-1.0	-47.26	319.25	-0.06	-47.32
COC[C@@H](C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC	REAL300008263442	1	32	-2.0	-93.96	316.41	-0.28	-94.24
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21)OC	REAL300008263443	0	42	-1.0	-51.37	355.43	3.55	-47.82
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H](COC)OC	REAL300008263444	0	43	-1.0	-56.13	362.04	2.01	-54.12
COC[C@@H](CNS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-])OC	REAL300008263445	0	40	-1.0	-54.13	338.44	1.47	-52.66
COC[C@@H](CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)OC	REAL300008263446	0	35	-1.0	-54.20	315.50	-0.53	-54.73
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)OC	REAL300008263447	0	36	-1.0	-54.73	321.32	-0.99	-55.72
COC[C@@H](CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1)OC	REAL300008263448	0	42	-1.0	-53.52	365.50	3.54	-49.98
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)OC	REAL300008263449	0	36	-1.0	-51.42	329.67	0.97	-50.45
COC[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-])OC	REAL300008263450	0	42	-1.0	-56.10	354.84	4.44	-51.66
COC[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F)OC	REAL300008263451	0	39	-1.0	-46.65	341.75	2.97	-43.68
COC[C@@H](CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])OC	REAL300008263452	0	39	-1.0	-58.63	330.87	2.54	-56.09
COC[C@@H](CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)OC	REAL300008263453	0	36	-1.0	-49.67	349.32	1.87	-47.80
COC[C@@H](CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)OC	REAL300008263454	0	39	-1.0	-67.18	345.90	-0.11	-67.29
COC[C@@H](CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)OC	REAL300008263455	0	39	-1.0	-46.24	345.55	2.64	-43.60
COC[C@@H](CNS(=O)(=O)N1CCCCC1C(=O)[O-])OC	REAL300008263456	0	41	-1.0	-52.03	326.83	1.35	-50.68
COC[C@@H](CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)OC	REAL300008263457	0	33	-1.0	-44.33	319.97	1.70	-42.63
COC[C@@H](CNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)OC	REAL300008263458	0	38	-1.0	-52.63	331.21	0.07	-52.56
COC[C@@H](CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])OC	REAL300008263459	0	39	-1.0	-58.63	330.87	2.54	-56.09
CCOC1=CC=C(S(=O)(=O)NC[C@H](COC)OC)C=C1C(=O)[O-]	REAL300008263460	0	43	-1.0	-60.59	368.57	2.23	-58.36
COC[C@@H](CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)OC	REAL300008263461	0	43	-1.0	-52.58	365.03	3.18	-49.40
COC[C@@H](CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-])OC	REAL300008263462	0	35	-1.0	-47.28	304.80	0.34	-46.94
COC[C@@H](CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1)OC	REAL300008263463	0	41	-1.0	-57.26	361.34	1.67	-55.59
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300008263464	0	37	-1.0	-51.62	327.98	2.68	-48.94
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263465	0	44	-1.0	-46.57	365.39	4.87	-41.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300008263466	0	29	-1.0	-41.21	293.77	1.87	-39.34
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263467	0	39	-1.0	-46.60	320.30	2.73	-43.87
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300008263468	0	35	-1.0	-41.28	317.35	3.65	-37.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008263469	0	36	-1.0	-44.74	310.49	2.74	-42.00
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008263470	0	38	-1.0	-56.07	347.41	-0.20	-56.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008263471	0	36	-1.0	-43.00	332.71	2.07	-40.93
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1OC	REAL300008263472	0	43	-1.0	-46.97	358.08	2.33	-44.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300008263473	0	35	-1.0	-41.78	316.33	3.66	-38.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300008263474	0	38	-1.0	-48.10	323.66	1.34	-46.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008263475	0	48	-1.0	-45.17	386.67	6.05	-39.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008263476	0	38	-1.0	-48.05	329.29	1.40	-46.65
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263477	0	38	-1.0	-46.07	329.60	3.72	-42.35
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008263478	0	32	-1.0	-46.05	303.83	3.01	-43.04
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008263479	0	32	-1.0	-43.63	308.01	2.90	-40.73
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008263480	0	37	-1.0	-52.19	318.53	4.61	-47.58
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008263481	0	38	-1.0	-43.65	346.24	4.24	-39.41
CO[C@H](C)[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008263482	0	42	-1.0	-47.82	368.56	-1.20	-49.02
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300008263483	0	43	-1.0	-45.74	369.09	4.14	-41.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300008263484	0	35	-1.0	-44.57	314.53	3.01	-41.56
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008263485	0	38	-1.0	-48.22	332.12	2.79	-45.43
COCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263486	0	39	-1.0	-45.13	339.88	1.97	-43.16
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=N1	REAL300008263487	0	38	-1.0	-45.59	335.50	-0.09	-45.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008263488	0	41	-1.0	-56.49	371.50	0.49	-56.00
CO[C@H](C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008263489	0	37	-1.0	-50.93	334.27	-1.73	-52.66
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=C1C	REAL300008263490	0	42	-1.0	-45.13	340.83	2.93	-42.20
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008263491	0	37	-1.0	-45.67	331.25	3.40	-42.27
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008263492	0	35	-1.0	-42.69	330.34	3.58	-39.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008263493	0	37	-1.0	-50.90	327.68	2.68	-48.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300008263494	0	41	-1.0	-53.54	360.63	3.53	-50.01
CCN1N=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1C	REAL300008263495	0	41	-1.0	-48.59	340.36	2.07	-46.52
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300008263496	0	38	-1.0	-48.10	329.56	1.34	-46.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300008263497	0	41	-1.0	-50.71	349.34	3.18	-47.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300008263498	0	38	-1.0	-53.44	332.16	2.67	-50.77
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300008263499	0	38	-1.0	-56.96	324.98	1.22	-55.74
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008263500	0	44	-1.0	-47.07	330.52	4.90	-42.17
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008263501	0	40	-1.0	-51.34	351.29	1.65	-49.69
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1OC	REAL300008263502	0	40	-1.0	-55.27	355.76	1.94	-53.33
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300008263503	0	35	-1.0	-43.51	324.31	3.43	-40.08
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300008263504	0	35	-1.0	-44.39	304.11	3.00	-41.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008263505	0	38	-1.0	-45.59	341.57	5.05	-40.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008263506	0	37	-1.0	-41.02	334.72	4.32	-36.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008263507	0	36	-1.0	-46.28	330.27	1.89	-44.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008263508	0	39	-1.0	-45.85	334.94	3.83	-42.02
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300008263509	0	47	-1.0	-48.42	372.56	3.10	-45.32
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008263510	0	35	-1.0	-45.58	320.88	3.21	-42.37
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263511	0	43	-1.0	-48.30	351.88	2.09	-46.21
C[C@H](NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CC(F)=C1	REAL300008266001	0	34	-1.0	-46.80	303.17	4.94	-41.86
C[C@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1)C1=CC=CC(F)=C1	REAL300008266002	0	40	-1.0	-56.24	358.78	6.19	-50.05
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)=CN1	REAL300008266003	0	38	-1.0	-51.93	358.02	3.97	-47.96
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266004	0	37	-1.0	-52.21	341.27	3.14	-49.07
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)O1	REAL300008266005	0	37	-1.0	-51.90	354.26	4.62	-47.28
O=C([O-])CCCS(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266006	0	39	-1.0	-53.54	355.57	4.88	-48.66
O=C([O-])C1CCCN1S(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266007	0	42	-1.0	-59.66	368.08	5.37	-54.29
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)O1	REAL300008266008	0	37	-1.0	-51.90	354.26	4.62	-47.28
O=C([O-])CCCS(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266009	0	39	-1.0	-53.54	355.57	4.88	-48.66
O=C([O-])C1=COC(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300008266010	0	37	-1.0	-50.57	354.51	4.37	-46.20
O=C([O-])CCCCCS(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266011	0	45	-1.0	-54.82	398.57	6.44	-48.38
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266012	0	41	-1.0	-49.34	368.96	4.48	-44.86
O=C([O-])CC1(CS(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300008266013	0	43	-1.0	-51.57	380.73	6.10	-45.47
O=C([O-])C1=C(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)OC=C1	REAL300008266014	0	37	-1.0	-61.37	350.85	4.67	-56.70
O=C([O-])C1(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)CCC1	REAL300008266015	0	40	-1.0	-42.78	352.56	5.41	-37.37
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266016	0	37	-1.0	-52.21	341.27	3.14	-49.07
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300008266017	0	37	-1.0	-45.48	352.98	2.50	-42.98
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008266018	0	40	-1.0	-54.55	359.57	5.40	-49.15
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008266019	0	43	-1.0	-56.47	376.46	5.95	-50.52
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266020	0	40	-1.0	-56.18	366.21	5.59	-50.59
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300008266021	0	37	-1.0	-45.48	352.98	2.50	-42.98
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266022	0	42	-1.0	-44.60	369.05	5.08	-39.52
O=C([O-])C1=CNN=C1S(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266023	0	37	-1.0	-52.21	341.27	3.14	-49.07
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008266024	0	40	-1.0	-59.65	351.79	6.10	-53.55
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008266025	0	44	-1.0	-47.63	344.10	6.03	-41.60
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008266026	0	44	-1.0	-51.83	342.95	6.01	-45.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266027	0	47	-1.0	-54.63	357.57	6.92	-47.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266028	0	48	-1.0	-54.34	363.35	5.85	-48.49
CC1=CC=C(S(=O)(=O)NCC2CCCCC2(C)C)C=C1C(=O)[O-]	REAL300008266029	0	47	-1.0	-51.20	358.98	6.55	-44.65
CC1(C)CCCCC1CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008266030	0	41	-1.0	-46.50	326.16	5.80	-40.70
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008266031	0	44	-1.0	-51.83	342.95	6.01	-45.82
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008266032	0	44	-1.0	-47.63	344.10	6.03	-41.60
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008266033	0	44	-1.0	-49.94	333.55	6.89	-43.05
CC1(C)CCCCC1CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008266034	0	42	-1.0	-50.00	331.47	3.73	-46.27
CC1(C)CCCCC1CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008266035	0	44	-1.0	-48.78	347.50	4.14	-44.64
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008266036	0	41	-1.0	-46.42	335.20	5.14	-41.28
CC1(C)CCCCC1CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008266037	0	41	-1.0	-51.26	319.05	3.05	-48.21
CC1(C)CCCCC1CNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008266038	0	49	-1.0	-47.44	359.06	5.08	-42.36
CC1(C)CCCCC1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008266039	0	49	-1.0	-46.04	360.73	5.11	-40.93
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008266040	0	44	-1.0	-49.94	333.55	6.89	-43.05
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008266041	0	44	-1.0	-43.45	350.24	7.43	-36.02
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008266042	0	41	-1.0	-48.62	327.70	4.39	-44.23
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CCCCC2(C)C)O1	REAL300008266043	0	44	-1.0	-48.58	345.94	4.85	-43.73
CC1(C)CCCCC1CNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008266044	0	46	-1.0	-45.88	343.67	4.85	-41.03
CC1(C)CCCCC1CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008266045	0	47	-1.0	-56.75	367.92	6.75	-50.00
CC1(C)CCCCC1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008266046	0	49	-1.0	-46.04	360.73	5.11	-40.93
CC1(C)CCCCC1CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008266047	0	47	-1.0	-58.31	366.74	6.73	-51.58
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008266048	0	41	-1.0	-48.62	327.70	4.39	-44.23
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008266049	0	48	-1.0	-47.27	375.19	6.31	-40.96
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266050	0	48	-1.0	-44.35	375.00	6.98	-37.37
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008266051	0	41	-1.0	-48.54	337.32	5.05	-43.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCCCC2(C)C)=C1C	REAL300008266052	0	50	-1.0	-56.07	375.75	7.45	-48.62
CC1=CC=CC(S(=O)(=O)NCC2CCCCC2(C)C)=C1C(=O)[O-]	REAL300008266053	0	47	-1.0	-54.28	361.47	7.15	-47.13
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCCCC2(C)C)=C1	REAL300008266054	0	51	-1.0	-52.85	399.19	5.73	-47.12
CC1(C)CCCCC1CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008266055	0	41	-1.0	-49.97	334.60	5.04	-44.93
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008266056	0	47	-1.0	-41.97	371.23	7.89	-34.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266057	0	47	-1.0	-47.92	352.08	6.78	-41.14
CC1(C)CCCCC1CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008266058	0	47	-1.0	-53.85	367.14	8.07	-45.78
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008266059	0	47	-1.0	-47.87	366.29	6.81	-41.06
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CCCCC2(C)C)C=C1[N+](=O)[O-]	REAL300008266060	0	49	-1.0	-41.43	382.38	7.05	-34.38
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008266061	0	41	-1.0	-48.05	329.12	4.12	-43.93
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008266062	0	47	-1.0	-50.71	365.11	6.79	-43.92
CC1=C(S(=O)(=O)NCC2CCCCC2(C)C)C=C(C(=O)[O-])O1	REAL300008266063	0	44	-1.0	-52.02	347.72	5.11	-46.91
CC1(C)CCCCC1CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008266064	0	43	-1.0	-45.90	338.11	4.21	-41.69
CC1(C)CCCCC1CNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008266065	0	40	-1.0	-50.18	321.61	4.28	-45.90
CC1(C)CCCCC1CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008266066	0	40	-1.0	-53.80	325.73	3.73	-50.07
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008266067	0	43	-1.0	-53.22	329.14	5.09	-48.13
CC1(C)CCCCC1CNS(=O)(=O)CCCCCC(=O)[O-]	REAL300008266068	0	49	-1.0	-52.01	371.97	6.21	-45.80
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008266069	0	43	-1.0	-49.76	338.83	4.22	-45.54
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008266070	0	44	-1.0	-46.26	360.84	6.53	-39.73
COC1=CC=C(S(=O)(=O)NCC2CCCCC2(C)C)C=C1C(=O)[O-]	REAL300008266071	0	48	-1.0	-57.54	370.25	6.08	-51.46
CC1=CC(S(=O)(=O)NCC2CCCCC2(C)C)=CC=C1C(=O)[O-]	REAL300008266072	0	47	-1.0	-47.02	358.95	6.56	-40.46
CN(CCC(=O)[O-])S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266073	0	45	-1.0	-47.81	342.05	4.24	-43.57
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008266074	0	49	-1.0	-51.49	375.71	6.43	-45.06
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCCCC2(C)C)=C1	REAL300008266075	0	51	-1.0	-52.85	399.19	5.73	-47.12
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008266076	0	44	-1.0	-46.26	360.84	6.53	-39.73
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266077	0	44	-1.0	-48.94	344.65	6.63	-42.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266078	0	47	-1.0	-49.65	372.30	7.24	-42.41
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3CCCCC3(C)C)C=C21	REAL300008266079	0	50	-1.0	-50.21	389.92	7.35	-42.86
CC1(C)CCCCC1CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008266080	0	47	-1.0	-56.75	367.92	6.75	-50.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266081	0	48	-1.0	-54.34	363.35	5.85	-48.49
CC1=CC=C(S(=O)(=O)NCC2CCCCC2(C)C)C=C1C(=O)[O-]	REAL300008266082	0	47	-1.0	-51.20	358.98	6.55	-44.65
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266083	0	47	-1.0	-54.63	357.57	6.92	-47.71
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266084	0	48	-1.0	-44.97	378.48	6.03	-38.94
CC1(C)CCCCC1CNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008266085	0	47	-1.0	-47.25	353.30	5.90	-41.35
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008266086	0	47	-1.0	-50.71	365.11	6.79	-43.92
COC1=C(S(=O)(=O)NCC2CCCCC2(C)C)SC(C(=O)[O-])=C1	REAL300008266087	0	45	-1.0	-46.40	361.23	4.31	-42.09
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008266088	0	49	-1.0	-48.30	379.75	6.69	-41.61
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008266089	0	47	-1.0	-46.25	373.07	6.82	-39.43
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008266090	0	51	-1.0	-51.84	389.07	7.90	-43.94
CCC1=C(S(=O)(=O)NCC2CCCCC2(C)C)C=C(C(=O)[O-])O1	REAL300008266091	0	47	-1.0	-51.59	367.33	5.93	-45.66
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008266092	0	46	-1.0	-43.68	361.75	7.58	-36.10
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008266093	0	47	-1.0	-50.15	382.00	7.52	-42.63
CC1(C)CCCCC1CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008266094	0	46	-1.0	-38.72	360.38	7.55	-31.17
CC1=NC=C(S(=O)(=O)NCC2CCCCC2(C)C)C=C1C(=O)[O-]	REAL300008266095	0	46	-1.0	-45.51	355.61	4.74	-40.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266096	0	48	-1.0	-47.41	364.54	5.86	-41.55
COC1=CC(S(=O)(=O)NCC2CCCCC2(C)C)=CC=C1C(=O)[O-]	REAL300008266097	0	48	-1.0	-52.92	370.23	6.09	-46.83
COC1=CC=C(S(=O)(=O)NCC2CCCCC2(C)C)C(CC(=O)[O-])=C1	REAL300008266098	0	51	-1.0	-56.71	386.18	6.50	-50.21
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008266099	0	47	-1.0	-47.55	370.58	6.83	-40.72
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008266100	0	47	-1.0	-45.21	383.16	7.02	-38.19
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2CCCCC2(C)C)C=C1	REAL300008266101	0	53	-1.0	-49.50	399.03	7.70	-41.80
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266102	0	44	-1.0	-50.99	336.00	4.36	-46.63
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008266103	0	50	-1.0	-49.71	379.15	8.24	-41.47
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2CCCCC2(C)C)=C1	REAL300008266104	0	44	-1.0	-49.66	345.68	4.97	-44.69
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008266105	0	44	-1.0	-49.68	355.45	6.41	-43.27
CC1(C)CCCCC1CNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008266106	0	41	-1.0	-52.44	320.16	4.87	-47.57
CC1(C)CCCCC1CNS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008266107	0	44	-1.0	-43.42	327.63	5.24	-38.18
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2CCCCC2(C)C)=C1	REAL300008266108	0	48	-1.0	-48.28	362.89	6.22	-42.06
CC1(C)CCCCC1CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008266109	0	41	-1.0	-51.26	319.05	3.05	-48.21
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266110	0	44	-1.0	-50.99	336.00	4.36	-46.63
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008266111	0	46	-2.0	-135.17	369.80	6.97	-128.20
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266112	0	51	-1.0	-52.97	390.75	6.14	-46.83
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008266113	0	43	-1.0	-46.72	340.33	4.14	-42.58
CC1(C)CCCCC1CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008266114	0	47	-1.0	-55.09	356.70	7.17	-47.92
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008266115	0	41	-1.0	-44.99	342.61	4.66	-40.33
CC1(C)CCCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008266115	1	40	-2.0	-97.05	341.97	4.31	-92.74
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008266116	0	50	-1.0	-49.83	378.83	8.26	-41.57
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266117	0	51	-1.0	-53.29	393.42	6.69	-46.60
COC1=CC=C(S(=O)(=O)NCC2CCCCC2(C)C)C(C(=O)[O-])=C1	REAL300008266118	0	48	-1.0	-50.63	363.00	6.20	-44.43
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008266119	0	43	-1.0	-53.84	339.01	4.23	-49.61
CC1(C)CCCCC1CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008266120	0	41	-1.0	-42.84	326.42	2.27	-40.57
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC1(C)C	REAL300008266121	0	44	-1.0	-53.56	344.46	3.76	-49.80
CC1(C)CCCCC1CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008266122	0	50	-1.0	-50.88	388.86	8.28	-42.60
CC1(C)CCCCC1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008266123	0	44	-1.0	-52.11	333.06	5.16	-46.95
CC1(C)CCCCC1CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008266124	0	47	-1.0	-53.57	351.19	5.74	-47.83
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CCCCC2(C)C)S1	REAL300008266125	0	44	-1.0	-48.47	354.20	5.71	-42.76
CC1(C)CCCCC1CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008266126	0	50	-1.0	-52.97	379.28	9.18	-43.79
CC1(C)CCCCC1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008266127	0	47	-1.0	-45.09	367.71	7.59	-37.50
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008266128	0	47	-1.0	-55.92	356.60	7.24	-48.68
CC1(C)CCCCC1CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008266129	0	44	-1.0	-47.28	372.69	6.60	-40.68
CC1(C)CCCCC1CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008266130	0	47	-1.0	-65.31	370.46	4.65	-60.66
CC1(C)CCCCC1CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008266131	0	47	-1.0	-43.89	369.55	7.25	-36.64
CC1(C)CCCCC1CNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008266132	0	44	-1.0	-53.07	339.60	5.35	-47.72
CC1(C)CCCCC1CNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008266133	0	49	-1.0	-50.00	351.17	6.10	-43.90
CC1(C)CCCCC1CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008266134	0	41	-1.0	-42.84	326.42	2.27	-40.57
CC1(C)CCCCC1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008266135	0	46	-1.0	-57.22	342.76	5.17	-52.05
CC1(C)CCCCC1CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008266136	0	41	-1.0	-51.26	319.05	3.05	-48.21
CC1(C)CCCCC1CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008266137	0	41	-1.0	-41.33	343.09	6.42	-34.91
CC1(C)CCCCC1CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008266138	0	44	-1.0	-58.11	326.06	5.92	-52.19
CC1=CC(S(=O)(=O)NCC2CCCCC2(C)C)=CN=C1C(=O)[O-]	REAL300008266139	0	46	-1.0	-50.20	356.82	4.78	-45.42
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008266140	0	47	-1.0	-55.92	356.60	7.24	-48.68
CCOC1=CC=C(S(=O)(=O)NCC2CCCCC2(C)C)C=C1C(=O)[O-]	REAL300008266141	0	51	-1.0	-57.93	392.08	6.99	-50.94
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008266142	0	51	-1.0	-47.99	388.21	7.89	-40.10
CC1(C)CCCCC1CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008266143	0	43	-1.0	-43.93	327.82	5.10	-38.83
CC1(C)CCCCC1CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008266144	0	49	-1.0	-54.23	384.69	6.40	-47.83
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C1	REAL300008266145	0	54	-1.0	-50.00	396.48	9.70	-40.30
O=C([O-])C1=CC=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266146	0	54	-1.0	-55.63	403.62	9.96	-45.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266147	0	57	-1.0	-60.28	409.92	9.85	-50.43
CC1=CC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C1C(=O)[O-]	REAL300008266148	0	57	-1.0	-57.40	419.59	10.36	-47.04
O=C([O-])C1=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=CS1	REAL300008266149	0	51	-1.0	-48.47	382.97	8.96	-39.51
O=C([O-])C1=CC=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266150	0	54	-1.0	-55.63	403.62	9.96	-45.67
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C1	REAL300008266151	0	54	-1.0	-50.00	396.48	9.70	-40.30
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266152	0	54	-1.0	-51.78	384.87	10.04	-41.74
O=C([O-])C1=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=CN1	REAL300008266153	0	52	-1.0	-52.96	393.19	7.68	-45.28
O=C([O-])CN1C=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=N1	REAL300008266154	0	54	-1.0	-50.59	415.50	7.56	-43.03
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)S1	REAL300008266155	0	51	-1.0	-48.99	394.21	9.04	-39.95
O=C([O-])C1=CNN=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266156	0	51	-1.0	-53.10	376.07	6.82	-46.28
O=C([O-])C1CCCN(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C1	REAL300008266157	0	59	-1.0	-50.67	408.42	8.23	-42.44
O=C([O-])C1CCN(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)CC1	REAL300008266158	0	59	-1.0	-46.64	396.07	8.25	-38.39
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266159	0	54	-1.0	-51.78	384.87	10.04	-41.74
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)O1	REAL300008266160	0	51	-1.0	-52.19	387.90	7.80	-44.39
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)O1	REAL300008266161	0	54	-1.0	-53.13	406.54	8.80	-44.33
O=C([O-])CCCS(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266162	0	53	-1.0	-51.28	386.86	8.54	-42.74
O=C([O-])C1CCCN1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266163	0	56	-1.0	-58.92	390.37	8.92	-50.00
O=C([O-])C1=CC=C(CS(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C1	REAL300008266164	0	57	-1.0	-56.39	425.36	10.68	-45.71
O=C([O-])C1CCN(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)CC1	REAL300008266165	0	59	-1.0	-46.64	396.07	8.25	-38.39
O=C([O-])C1=CC=CC(CS(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266166	0	57	-1.0	-57.71	424.62	10.63	-47.08
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)O1	REAL300008266167	0	51	-1.0	-52.19	387.90	7.80	-44.39
O=C([O-])CCCS(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266168	0	53	-1.0	-51.28	386.86	8.54	-42.74
O=C([O-])C1=CSC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266169	0	51	-1.0	-52.83	401.94	8.68	-44.15
CC1=CC=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1C(=O)[O-]	REAL300008266170	0	57	-1.0	-54.01	420.69	10.65	-43.36
O=C([O-])C1=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=CS1	REAL300008266171	0	51	-1.0	-52.24	402.05	8.59	-43.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266172	0	57	-1.0	-52.20	413.34	10.12	-42.08
O=C([O-])CC1=CC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C1	REAL300008266173	0	57	-1.0	-49.30	422.46	10.64	-38.66
O=C([O-])C1=COC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266174	0	51	-1.0	-51.11	396.63	7.71	-43.40
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266175	0	57	-1.0	-52.40	428.37	10.26	-42.14
CC1=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C(C(=O)[O-])O1	REAL300008266176	0	54	-1.0	-56.32	387.63	8.37	-47.95
O=C([O-])C1=CN=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266177	0	53	-1.0	-49.37	398.88	8.13	-41.24
O=C([O-])C1=NSC=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266178	0	50	-1.0	-52.99	374.57	7.43	-45.56
O=C([O-])C1=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)SC=N1	REAL300008266179	0	50	-1.0	-66.79	370.11	7.08	-59.71
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266180	0	53	-1.0	-54.44	379.85	8.16	-46.28
O=C([O-])CCCCCS(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266181	0	59	-1.0	-51.68	429.85	10.10	-41.58
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=N1	REAL300008266182	0	53	-1.0	-51.40	405.89	7.70	-43.70
CC1=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=CC=C1C(=O)[O-]	REAL300008266183	0	57	-1.0	-48.91	412.17	10.23	-38.68
CN(CCC(=O)[O-])S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266184	0	55	-1.0	-50.27	394.66	8.13	-42.14
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266185	0	54	-1.0	-52.21	390.25	9.89	-42.32
O=C([O-])C1=CC=C(CS(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C1	REAL300008266186	0	57	-1.0	-56.39	425.36	10.68	-45.71
CC1=CC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C1C(=O)[O-]	REAL300008266187	0	57	-1.0	-57.40	419.59	10.36	-47.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266188	0	57	-1.0	-60.28	409.92	9.85	-50.43
O=C([O-])CC1(CS(=O)(=O)NC(CC2CCCC2)CC2CCCC2)CC1	REAL300008266189	0	57	-1.0	-51.84	401.38	9.70	-42.14
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266190	0	57	-1.0	-52.40	428.37	10.26	-42.14
CCC1=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C(C(=O)[O-])O1	REAL300008266191	0	57	-1.0	-58.31	420.23	9.10	-49.21
CC1=NC=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C=C1C(=O)[O-]	REAL300008266192	0	56	-1.0	-47.51	422.62	8.41	-39.10
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266193	0	54	-1.0	-47.95	384.10	7.06	-40.89
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266194	0	54	-1.0	-53.07	401.69	8.80	-44.27
O=C([O-])C1=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)OC=C1	REAL300008266195	0	51	-1.0	-57.01	374.37	8.60	-48.41
O=C([O-])C1(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)CCC1	REAL300008266196	0	54	-1.0	-43.38	378.87	8.51	-34.87
O=C([O-])C1=CNN=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266197	0	51	-1.0	-53.10	376.07	6.82	-46.28
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266198	0	54	-1.0	-47.95	384.10	7.06	-40.89
O=C([O-])C1=CC=NC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=C1	REAL300008266199	0	53	-1.0	-48.48	400.79	8.39	-40.09
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266200	0	57	-1.0	-58.46	414.95	11.16	-47.30
O=C([O-])C1=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=CC=N1	REAL300008266201	0	53	-1.0	-54.91	399.83	8.18	-46.73
O=C([O-])C1=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=NN1	REAL300008266202	0	51	-1.0	-45.21	395.37	5.94	-39.27
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266203	0	54	-1.0	-56.61	391.30	7.11	-49.50
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C1	REAL300008266204	0	54	-1.0	-53.36	388.90	9.00	-44.36
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)C1	REAL300008266205	0	57	-1.0	-53.48	406.48	9.09	-44.39
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)S1	REAL300008266206	0	54	-1.0	-52.80	410.20	9.56	-43.24
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266207	0	57	-1.0	-58.75	409.83	10.78	-47.97
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266208	0	54	-1.0	-54.04	407.12	9.03	-45.01
O=C([O-])C1CCCCN1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266209	0	59	-1.0	-53.39	410.61	9.40	-43.99
O=C([O-])C1=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=NN1	REAL300008266210	0	51	-1.0	-45.21	395.37	5.94	-39.27
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266211	0	56	-1.0	-49.06	394.12	7.88	-41.18
O=C([O-])C1=CNN=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266212	0	51	-1.0	-53.10	376.07	6.82	-46.28
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266213	0	54	-1.0	-57.87	381.52	9.46	-48.41
CC1=CC(S(=O)(=O)NC(CC2CCCC2)CC2CCCC2)=CN=C1C(=O)[O-]	REAL300008266214	0	56	-1.0	-51.97	415.44	8.60	-43.37
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266215	0	57	-1.0	-58.75	409.83	10.78	-47.97
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC(CC1CCCC1)CC1CCCC1	REAL300008266216	0	53	-1.0	-45.92	384.04	8.22	-37.70
CC(C)C1=CC=C(C(=O)C2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)C=C1	REAL300008266217	0	52	-1.0	-55.77	420.16	8.97	-46.80
CC(C)C1=CC=C(C(=O)C2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)C=C1	REAL300008266218	0	52	-1.0	-55.77	420.16	8.97	-46.80
CC(C)C1=CC=C(C(=O)C2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)C=C1	REAL300008266219	0	54	-1.0	-51.95	429.65	8.39	-43.56
CC(C)C1=CC=C(C(=O)C2CCN(S(=O)(=O)C3(C(=O)[O-])CCC3)CC2)C=C1	REAL300008266220	0	53	-1.0	-48.75	407.53	9.04	-39.71
CC(C)C1=CC=C(C(=O)C2CCN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300008266221	0	53	-1.0	-59.93	423.56	9.47	-50.46
CC(C)C1=CC=C(C(=O)C2CCN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])CC2)C=C1	REAL300008266222	0	53	-1.0	-58.69	430.79	9.68	-49.01
CC(C)C1=CC=C(C(=O)C2CCN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C=C1	REAL300008266223	0	53	-1.0	-58.98	414.49	10.06	-48.92
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300008266224	0	42	-1.0	-49.88	367.75	8.41	-41.47
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300008266225	0	42	-1.0	-54.61	369.41	8.43	-46.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300008266226	0	45	-1.0	-56.46	377.51	8.95	-47.51
CC1=CC=C(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)C=C1C(=O)[O-]	REAL300008266227	0	45	-1.0	-52.21	383.62	8.93	-43.28
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300008266228	0	39	-1.0	-49.52	345.44	7.64	-41.88
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300008266229	0	42	-1.0	-54.61	369.41	8.43	-46.18
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300008266230	0	42	-1.0	-49.88	367.75	8.41	-41.47
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300008266231	0	42	-1.0	-66.41	361.77	9.65	-56.76
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C1	REAL300008266232	0	40	-1.0	-52.37	357.92	6.17	-46.20
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C1	REAL300008266233	0	42	-1.0	-52.67	372.15	6.54	-46.13
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300008266234	0	39	-1.0	-49.30	359.86	7.53	-41.77
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300008266235	0	39	-1.0	-52.42	345.35	5.48	-46.94
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300008266236	0	47	-1.0	-50.53	387.09	7.56	-42.97
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300008266237	0	47	-1.0	-48.06	389.25	7.66	-40.40
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300008266238	0	42	-1.0	-66.41	361.77	9.65	-56.76
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300008266239	0	39	-1.0	-51.41	354.17	6.82	-44.59
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)O1	REAL300008266240	0	42	-1.0	-49.57	372.77	7.26	-42.31
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)CCCC(=O)[O-])C1	REAL300008266241	0	41	-1.0	-52.20	353.83	7.04	-45.16
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)N2CCCC2C(=O)[O-])C1	REAL300008266242	0	44	-1.0	-58.13	369.72	7.57	-50.56
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300008266243	0	45	-1.0	-57.87	391.59	9.15	-48.72
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300008266244	0	47	-1.0	-48.06	389.25	7.66	-40.40
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300008266245	0	45	-1.0	-59.23	391.60	9.14	-50.09
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300008266246	0	39	-1.0	-51.41	354.17	6.82	-44.59
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)CCCC(=O)[O-])C1	REAL300008266247	0	41	-1.0	-52.20	353.83	7.04	-45.16
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300008266248	0	39	-1.0	-50.03	362.60	7.47	-42.56
CC1=CC=CC(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)=C1C(=O)[O-]	REAL300008266249	0	45	-1.0	-58.40	378.55	9.47	-48.93
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300008266250	0	39	-1.0	-51.44	361.06	7.48	-43.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300008266251	0	45	-1.0	-50.54	371.71	8.77	-41.77
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300008266252	0	45	-1.0	-49.74	389.94	9.19	-40.55
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C1	REAL300008266253	0	39	-1.0	-50.22	354.28	6.57	-43.65
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300008266254	0	45	-1.0	-52.92	391.57	9.21	-43.71
CC1=C(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)C=C(C(=O)[O-])O1	REAL300008266255	0	42	-1.0	-53.12	365.09	7.39	-45.73
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300008266256	0	41	-1.0	-48.40	364.57	6.64	-41.76
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CSN=C2C(=O)[O-])C1	REAL300008266257	0	38	-1.0	-53.84	339.77	6.08	-47.76
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C1	REAL300008266258	0	38	-1.0	-65.49	351.78	6.28	-59.21
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C1	REAL300008266259	0	41	-1.0	-68.98	358.53	7.89	-61.09
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)CCCCCC(=O)[O-])C1	REAL300008266260	0	47	-1.0	-53.33	396.83	8.61	-44.72
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300008266261	0	41	-1.0	-51.55	365.28	6.66	-44.89
CC1=CC(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)=CC=C1C(=O)[O-]	REAL300008266262	0	45	-1.0	-48.99	385.41	8.98	-40.01
CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300008266263	0	43	-1.0	-50.10	367.18	6.61	-43.49
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300008266264	0	42	-1.0	-51.04	362.06	8.63	-42.41
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300008266265	0	45	-1.0	-57.87	391.59	9.15	-48.72
CC1=CC=C(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)C=C1C(=O)[O-]	REAL300008266266	0	45	-1.0	-52.21	383.62	8.93	-43.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300008266267	0	45	-1.0	-56.46	377.51	8.95	-47.51
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1	REAL300008266268	0	45	-1.0	-51.14	380.97	8.30	-42.84
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300008266269	0	45	-1.0	-52.92	391.57	9.21	-43.71
CCC1=C(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)C=C(C(=O)[O-])O1	REAL300008266270	0	45	-1.0	-51.48	392.43	8.33	-43.15
CC1=NC=C(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)C=C1C(=O)[O-]	REAL300008266271	0	44	-1.0	-46.73	380.85	7.14	-39.59
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300008266272	0	42	-1.0	-54.78	363.18	6.87	-47.91
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)=C1	REAL300008266273	0	42	-1.0	-51.63	372.50	7.41	-44.22
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C1	REAL300008266274	0	39	-1.0	-61.15	350.63	6.87	-54.28
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1	REAL300008266275	0	42	-1.0	-46.57	350.47	7.68	-38.89
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300008266276	0	39	-1.0	-52.42	345.35	5.48	-46.94
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300008266277	0	42	-1.0	-54.78	363.18	6.87	-47.91
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300008266278	0	41	-1.0	-49.32	365.62	6.57	-42.75
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C1	REAL300008266279	0	45	-1.0	-58.16	381.51	9.57	-48.59
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300008266280	0	41	-1.0	-56.55	365.47	6.66	-49.89
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300008266281	0	39	-1.0	-44.91	352.89	4.71	-40.20
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300008266282	0	42	-1.0	-55.49	368.10	6.20	-49.29
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300008266283	0	42	-1.0	-52.92	357.75	7.59	-45.33
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300008266284	0	45	-1.0	-54.28	372.99	8.07	-46.21
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)S1	REAL300008266285	0	42	-1.0	-49.99	379.48	8.13	-41.86
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300008266286	0	45	-1.0	-63.28	383.36	9.58	-53.70
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C1	REAL300008266287	0	42	-1.0	-54.35	366.89	7.82	-46.53
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300008266288	0	47	-1.0	-54.96	373.39	8.18	-46.78
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300008266289	0	39	-1.0	-44.91	352.89	4.71	-40.20
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300008266290	0	44	-1.0	-59.95	367.30	7.56	-52.39
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300008266291	0	39	-1.0	-52.42	345.35	5.48	-46.94
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	REAL300008266292	0	42	-1.0	-57.95	349.60	8.21	-49.74
CC1=CC(S(=O)(=O)N2CCC(C)(C3=CC=C(Cl)C=C3)C2)=CN=C1C(=O)[O-]	REAL300008266293	0	44	-1.0	-52.02	381.78	7.19	-44.83
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300008266294	0	45	-1.0	-63.28	383.36	9.58	-53.70
CC1(C2=CC=C(Cl)C=C2)CCN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C1	REAL300008266295	0	41	-1.0	-58.41	357.36	7.83	-50.58
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1	REAL300008266296	0	40	-1.0	-49.32	330.78	4.50	-44.82
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266297	0	40	-1.0	-54.50	330.81	4.49	-50.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266298	0	43	-1.0	-54.07	348.15	5.81	-48.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266299	0	44	-1.0	-55.85	355.92	4.60	-51.25
CC1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1C(=O)[O-]	REAL300008266300	0	43	-1.0	-51.59	346.98	5.04	-46.55
O=C([O-])C1=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=CS1	REAL300008266301	0	37	-1.0	-50.51	316.91	4.66	-45.85
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266302	0	40	-1.0	-54.50	330.81	4.49	-50.01
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1	REAL300008266303	0	40	-1.0	-49.32	330.78	4.50	-44.82
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266304	0	40	-1.0	-50.10	324.89	5.64	-44.46
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=CN1	REAL300008266305	0	38	-1.0	-52.43	319.33	2.22	-50.21
O=C([O-])CN1C=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=N1	REAL300008266306	0	40	-1.0	-51.54	335.36	2.62	-48.92
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)S1	REAL300008266307	0	37	-1.0	-47.68	325.76	4.02	-43.66
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266308	0	37	-1.0	-53.77	306.91	1.54	-52.23
O=C([O-])C1CCCN(S(=O)(=O)NCC2(C3CC3)CCCO2)C1	REAL300008266309	0	45	-1.0	-50.95	352.90	3.90	-47.05
O=C([O-])C1CCN(S(=O)(=O)NCC2(C3CC3)CCCO2)CC1	REAL300008266310	0	45	-1.0	-52.87	352.57	3.92	-48.95
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266311	0	40	-1.0	-50.10	324.89	5.64	-44.46
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266312	0	40	-1.0	-47.05	339.47	6.27	-40.78
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)O1	REAL300008266313	0	37	-1.0	-49.45	315.56	2.88	-46.57
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C3CC3)CCCO2)O1	REAL300008266314	0	40	-1.0	-49.27	338.51	3.61	-45.66
O=C([O-])C1CCCN1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266315	0	42	-1.0	-56.54	330.61	3.65	-52.89
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2(C3CC3)CCCO2)C=C1	REAL300008266316	0	43	-1.0	-59.95	359.31	5.49	-54.46
O=C([O-])C1CCN(S(=O)(=O)NCC2(C3CC3)CCCO2)CC1	REAL300008266317	0	45	-1.0	-52.87	352.57	3.92	-48.95
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266318	0	43	-1.0	-57.35	354.60	5.21	-52.14
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)O1	REAL300008266319	0	37	-1.0	-49.45	315.56	2.88	-46.57
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1	REAL300008266320	0	44	-1.0	-48.69	361.87	4.78	-43.91
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266321	0	44	-1.0	-44.51	374.75	5.72	-38.79
O=C([O-])C1=CSC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266322	0	37	-1.0	-50.71	326.67	3.91	-46.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1C	REAL300008266323	0	46	-1.0	-58.66	367.13	6.20	-52.46
CC1=CC=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1C(=O)[O-]	REAL300008266324	0	43	-1.0	-54.05	352.14	5.78	-48.27
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266325	0	47	-1.0	-55.35	385.87	4.20	-51.15
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=CS1	REAL300008266326	0	37	-1.0	-50.72	322.46	3.53	-47.19
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266327	0	43	-1.0	-45.40	361.44	6.76	-38.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266328	0	43	-1.0	-50.94	342.58	5.65	-45.29
O=C([O-])C1=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C2=CC=CC=C2S1	REAL300008266329	0	43	-1.0	-54.76	356.73	6.86	-47.90
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1	REAL300008266330	0	43	-1.0	-48.89	352.97	5.28	-43.61
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1[N+](=O)[O-]	REAL300008266331	0	45	-1.0	-42.01	369.24	5.56	-36.45
O=C([O-])C1=COC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266332	0	37	-1.0	-50.04	315.81	2.61	-47.43
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266333	0	43	-1.0	-52.30	352.97	5.27	-47.03
CC1=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C(C(=O)[O-])O1	REAL300008266334	0	40	-1.0	-52.08	337.43	4.01	-48.07
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266335	0	39	-1.0	-48.25	325.97	2.70	-45.55
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266336	0	36	-1.0	-50.34	313.09	3.02	-47.32
O=C([O-])C1=C(S(=O)(=O)NCC2(C3CC3)CCCO2)SC=N1	REAL300008266337	0	36	-1.0	-64.00	310.68	2.30	-61.70
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266338	0	39	-1.0	-56.21	318.59	3.98	-52.23
O=C([O-])CCCCCS(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266339	0	45	-1.0	-51.88	359.83	4.69	-47.19
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=N1	REAL300008266340	0	39	-1.0	-51.14	326.67	2.71	-48.43
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266341	0	40	-1.0	-48.73	347.53	5.00	-43.73
COC1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1C(=O)[O-]	REAL300008266342	0	44	-1.0	-60.29	358.08	4.56	-55.73
CC1=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=CC=C1C(=O)[O-]	REAL300008266343	0	43	-1.0	-48.54	346.97	5.05	-43.49
CN(CCC(=O)[O-])S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266344	0	41	-1.0	-48.78	330.25	2.71	-46.07
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCC3(C4CC4)CCCO3)C=CC=C21	REAL300008266345	0	45	-1.0	-53.66	366.48	5.30	-48.36
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266346	0	47	-1.0	-55.35	385.87	4.20	-51.15
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266347	0	40	-1.0	-48.73	347.53	5.00	-43.73
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266348	0	40	-1.0	-49.59	336.09	5.36	-44.23
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266349	0	43	-1.0	-51.39	364.17	6.10	-45.29
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3(C4CC4)CCCO3)C=C21	REAL300008266350	0	46	-1.0	-51.27	377.74	5.84	-45.43
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2(C3CC3)CCCO2)C=C1	REAL300008266351	0	43	-1.0	-59.95	359.31	5.49	-54.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266352	0	44	-1.0	-55.85	355.92	4.60	-51.25
CC1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1C(=O)[O-]	REAL300008266353	0	43	-1.0	-51.59	346.98	5.04	-46.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266354	0	43	-1.0	-54.07	348.15	5.81	-48.26
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266355	0	44	-1.0	-46.80	369.83	4.80	-42.00
O=C([O-])CC1(CS(=O)(=O)NCC2(C3CC3)CCCO2)CC1	REAL300008266356	0	43	-1.0	-49.84	341.12	4.39	-45.45
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266357	0	43	-1.0	-52.30	352.97	5.27	-47.03
COC1=C(S(=O)(=O)NCC2(C3CC3)CCCO2)SC(C(=O)[O-])=C1	REAL300008266358	0	41	-1.0	-48.10	351.81	3.19	-44.91
O=C([O-])C1CC2=CC(S(=O)(=O)NCC3(C4CC4)CCCO3)=CC=C2O1	REAL300008266359	0	45	-1.0	-49.61	367.62	5.17	-44.44
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1C(F)(F)F	REAL300008266360	0	43	-1.0	-48.06	360.92	5.31	-42.75
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCC3(C4CC4)CCCO3)C=C2)CC1	REAL300008266361	0	47	-1.0	-53.47	376.93	6.38	-47.09
CCC1=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C(C(=O)[O-])O1	REAL300008266362	0	43	-1.0	-53.56	359.91	4.67	-48.89
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266363	0	42	-1.0	-43.34	353.00	6.32	-37.02
O=C([O-])C1=CC2=CC(S(=O)(=O)NCC3(C4CC4)CCCO3)=CC=C2S1	REAL300008266364	0	43	-1.0	-51.97	368.67	5.99	-45.98
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266365	0	42	-1.0	-39.62	352.91	6.29	-33.33
CC1=NC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1C(=O)[O-]	REAL300008266366	0	42	-1.0	-46.01	342.42	3.23	-42.78
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266367	0	44	-1.0	-48.57	355.94	4.61	-43.96
COC1=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=CC=C1C(=O)[O-]	REAL300008266368	0	44	-1.0	-54.51	358.07	4.57	-49.94
COC1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C(CC(=O)[O-])=C1	REAL300008266369	0	47	-1.0	-58.36	378.71	5.24	-53.12
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1F	REAL300008266370	0	43	-1.0	-50.89	358.43	5.32	-45.57
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266371	0	43	-1.0	-47.46	369.85	5.49	-41.97
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1	REAL300008266372	0	49	-1.0	-50.16	383.96	6.14	-44.02
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266373	0	40	-1.0	-53.40	327.42	3.11	-50.29
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3(C4CC4)CCCO3)C=CC=C12	REAL300008266374	0	46	-1.0	-51.52	369.75	7.10	-44.42
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266375	0	40	-1.0	-50.44	333.53	3.46	-46.98
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=CC=C1Cl	REAL300008266376	0	40	-1.0	-52.39	343.31	4.89	-47.50
O=C([O-])C1=C(S(=O)(=O)NCC2(C3CC3)CCCO2)OC=C1	REAL300008266377	0	37	-1.0	-55.07	308.02	3.36	-51.71
O=C([O-])C1(S(=O)(=O)NCC2(C3CC3)CCCO2)CCC1	REAL300008266378	0	40	-1.0	-43.53	320.22	3.98	-39.55
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266379	0	44	-1.0	-51.99	352.13	5.07	-46.92
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266380	0	37	-1.0	-53.77	306.91	1.54	-52.23
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266381	0	40	-1.0	-53.40	327.42	3.11	-50.29
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1C(=O)[O-]	REAL300008266382	0	42	-2.0	-134.68	362.40	5.74	-128.94
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266383	0	47	-1.0	-54.80	381.70	4.92	-49.88
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266384	0	39	-1.0	-48.22	331.74	2.89	-45.33
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266385	0	43	-1.0	-57.84	344.29	5.63	-52.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266386	0	37	-1.0	-45.63	335.18	3.42	-42.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3CC3)CCCO2)=C1	REAL300008266386	1	36	-2.0	-98.85	335.29	3.07	-95.78
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C2=CC=CC=C12	REAL300008266387	0	46	-1.0	-51.10	369.37	7.12	-43.98
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266388	0	47	-1.0	-55.65	375.09	5.64	-50.01
COC1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C(C(=O)[O-])=C1	REAL300008266389	0	44	-1.0	-54.51	352.19	5.05	-49.46
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=CC=N1	REAL300008266390	0	39	-1.0	-55.40	331.58	2.99	-52.41
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=NN1	REAL300008266391	0	37	-1.0	-43.74	319.01	1.02	-42.72
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266392	0	40	-1.0	-54.71	335.00	2.65	-52.06
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC3(C4CC4)CCCO3)C=C2C=C1	REAL300008266393	0	46	-1.0	-52.32	376.70	6.76	-45.56
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2(C3CC3)CCCO2)C1	REAL300008266394	0	40	-1.0	-52.78	324.88	3.52	-49.26
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2(C3CC3)CCCO2)C1	REAL300008266395	0	43	-1.0	-56.48	338.30	4.59	-51.89
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C3CC3)CCCO2)S1	REAL300008266396	0	40	-1.0	-49.23	345.61	4.46	-44.77
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266397	0	46	-1.0	-56.93	368.46	8.02	-48.91
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC2(C3CC3)CCCO2)=C1	REAL300008266398	0	43	-1.0	-45.67	358.18	6.47	-39.20
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266399	0	43	-1.0	-57.89	349.15	5.99	-51.90
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC1(C3CC3)CCCO1)=C2	REAL300008266400	0	40	-1.0	-48.57	363.22	5.48	-43.09
O=C([O-])C1=NC(S(=O)(=O)NCC2(C3CC3)CCCO2)=C2C=CC=CN21	REAL300008266401	0	43	-1.0	-66.58	361.89	3.40	-63.18
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC3(C4CC4)CCCO3)=C2C=C1	REAL300008266402	0	43	-1.0	-45.42	357.38	5.74	-39.68
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266403	0	40	-1.0	-52.67	332.19	3.73	-48.94
O=C([O-])C1CCCCN1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266404	0	45	-1.0	-51.17	342.65	4.83	-46.34
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=NN1	REAL300008266405	0	37	-1.0	-43.74	319.01	1.02	-42.72
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266406	0	42	-1.0	-61.37	333.79	3.72	-57.65
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266407	0	37	-1.0	-53.77	306.91	1.54	-52.23
O=C([O-])C1=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C(Cl)S1	REAL300008266408	0	37	-1.0	-41.80	335.68	5.17	-36.63
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266409	0	40	-1.0	-61.15	315.94	4.49	-56.66
CC1=CC(S(=O)(=O)NCC2(C3CC3)CCCO2)=CN=C1C(=O)[O-]	REAL300008266410	0	42	-1.0	-50.82	348.20	3.52	-47.30
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266411	0	43	-1.0	-57.89	349.15	5.99	-51.90
CCOC1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1C(=O)[O-]	REAL300008266412	0	47	-1.0	-58.21	379.94	5.47	-52.74
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3(C4CC4)CCCO3)C=C2C1	REAL300008266413	0	47	-1.0	-53.63	380.97	6.66	-46.97
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1(C2CC2)CCCO1	REAL300008266414	0	39	-1.0	-44.50	320.54	3.84	-40.66
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC3(C4CC4)CCCO3)C=C2C=C1	REAL300008266415	0	45	-1.0	-55.13	377.27	5.15	-49.98
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1	REAL300008266416	0	47	-1.0	-48.70	356.24	6.96	-41.74
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266417	0	47	-1.0	-54.66	356.23	6.94	-47.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266418	0	50	-1.0	-57.97	376.88	8.04	-49.93
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266419	0	51	-1.0	-56.75	390.40	6.94	-49.81
CC1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1C(=O)[O-]	REAL300008266420	0	50	-1.0	-53.79	372.20	7.47	-46.32
O=C([O-])C1=C(S(=O)(=O)NC2CCCCCCCCC2)C=CS1	REAL300008266421	0	44	-1.0	-46.58	345.55	6.92	-39.66
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266422	0	47	-1.0	-54.66	356.23	6.94	-47.72
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1	REAL300008266423	0	47	-1.0	-48.70	356.24	6.96	-41.74
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266424	0	47	-1.0	-49.37	348.55	7.94	-41.43
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCCCCCC2)=CN1	REAL300008266425	0	45	-1.0	-52.15	346.16	4.74	-47.41
O=C([O-])CN1C=C(S(=O)(=O)NC2CCCCCCCCC2)C=N1	REAL300008266426	0	47	-1.0	-49.33	362.32	5.08	-44.25
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)S1	REAL300008266427	0	44	-1.0	-48.68	347.75	6.08	-42.60
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266428	0	44	-1.0	-57.57	327.04	4.58	-52.99
O=C([O-])C1CCCN(S(=O)(=O)NC2CCCCCCCCC2)C1	REAL300008266429	0	52	-1.0	-47.19	374.78	6.10	-41.09
O=C([O-])C1CCN(S(=O)(=O)NC2CCCCCCCCC2)CC1	REAL300008266430	0	52	-1.0	-45.72	372.62	6.40	-39.32
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266431	0	47	-1.0	-49.37	348.55	7.94	-41.43
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266432	0	47	-1.0	-43.35	365.74	8.48	-34.87
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)O1	REAL300008266433	0	44	-1.0	-51.49	345.17	5.54	-45.95
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCCCCCCC2)O1	REAL300008266434	0	47	-1.0	-49.67	363.31	5.99	-43.68
O=C([O-])CCCS(=O)(=O)NC1CCCCCCCCC1	REAL300008266435	0	46	-1.0	-51.22	343.10	5.64	-45.58
O=C([O-])C1CCCN1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266436	0	49	-1.0	-46.60	355.75	5.59	-41.01
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCCCCCCCC2)C=C1	REAL300008266437	0	50	-1.0	-56.19	381.04	7.75	-48.44
O=C([O-])C1CCN(S(=O)(=O)NC2CCCCCCCCC2)CC1	REAL300008266438	0	52	-1.0	-45.72	372.62	6.40	-39.32
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266439	0	50	-1.0	-59.60	381.06	7.74	-51.86
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)O1	REAL300008266440	0	44	-1.0	-51.49	345.17	5.54	-45.95
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1	REAL300008266441	0	51	-1.0	-47.86	387.37	7.24	-40.62
O=C([O-])CCCS(=O)(=O)NC1CCCCCCCCC1	REAL300008266442	0	46	-1.0	-51.22	343.10	5.64	-45.58
O=C([O-])C1=CSC(S(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266443	0	44	-1.0	-49.58	348.62	5.99	-43.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCCCCCCCC2)=C1C	REAL300008266444	0	53	-1.0	-59.74	395.18	8.47	-51.27
CC1=CC=CC(S(=O)(=O)NC2CCCCCCCCC2)=C1C(=O)[O-]	REAL300008266445	0	50	-1.0	-53.83	379.04	8.32	-45.51
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266446	0	54	-1.0	-54.86	408.53	6.99	-47.87
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCCCCCC2)=CS1	REAL300008266447	0	44	-1.0	-52.61	348.44	6.01	-46.60
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266448	0	50	-1.0	-48.74	371.31	7.90	-40.84
O=C([O-])C1=C(S(=O)(=O)NC2CCCCCCCCC2)C2=CC=CC=C2S1	REAL300008266449	0	50	-1.0	-55.32	383.01	9.66	-45.66
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1	REAL300008266450	0	50	-1.0	-48.39	378.47	7.73	-40.66
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1[N+](=O)[O-]	REAL300008266451	0	52	-1.0	-43.92	394.40	7.97	-35.95
O=C([O-])C1=COC(S(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266452	0	44	-1.0	-49.08	345.32	5.28	-43.80
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266453	0	50	-1.0	-51.15	382.69	7.91	-43.24
CC1=C(S(=O)(=O)NC2CCCCCCCCC2)C=C(C(=O)[O-])O1	REAL300008266454	0	47	-1.0	-54.86	365.19	6.26	-48.60
O=C([O-])C1=CN=CC(S(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266455	0	46	-1.0	-48.75	351.46	5.14	-43.61
O=C([O-])C1=NSC=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266456	0	43	-1.0	-50.21	339.83	5.39	-44.82
O=C([O-])C1=C(S(=O)(=O)NC2CCCCCCCCC2)SC=N1	REAL300008266457	0	43	-1.0	-64.89	341.28	4.74	-60.15
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266458	0	46	-1.0	-53.11	347.99	6.21	-46.90
O=C([O-])CCCCCS(=O)(=O)NC1CCCCCCCCC1	REAL300008266459	0	52	-1.0	-52.06	386.09	7.21	-44.85
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=N1	REAL300008266460	0	46	-1.0	-50.70	352.14	5.16	-45.54
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266461	0	47	-1.0	-47.05	372.91	7.45	-39.60
COC1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1C(=O)[O-]	REAL300008266462	0	51	-1.0	-57.71	383.43	7.03	-50.68
CC1=CC(S(=O)(=O)NC2CCCCCCCCC2)=CC=C1C(=O)[O-]	REAL300008266463	0	50	-1.0	-47.98	372.20	7.49	-40.49
CN(CCC(=O)[O-])S(=O)(=O)NC1CCCCCCCCC1	REAL300008266464	0	48	-1.0	-45.86	347.11	4.89	-40.97
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CC1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1C(=O)[O-]	REAL300008266473	0	50	-1.0	-53.79	372.20	7.47	-46.32
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266474	0	50	-1.0	-57.97	376.88	8.04	-49.93
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266475	0	51	-1.0	-47.35	394.64	7.18	-40.17
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O=C([O-])C1=CC2=CC(S(=O)(=O)NC3CCCCCCCCC3)=CC=C2S1	REAL300008266483	0	50	-1.0	-50.42	393.99	8.45	-41.97
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CC1=NC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1C(=O)[O-]	REAL300008266485	0	49	-1.0	-48.24	367.66	5.66	-42.58
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COC1=CC(S(=O)(=O)NC2CCCCCCCCC2)=CC=C1C(=O)[O-]	REAL300008266487	0	51	-1.0	-53.90	381.28	6.97	-46.93
COC1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C(CC(=O)[O-])=C1	REAL300008266488	0	54	-1.0	-57.09	402.30	7.60	-49.49
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COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CCCCCCCCC2)=C1	REAL300008266497	0	51	-1.0	-48.17	378.42	7.27	-40.90
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266498	0	44	-1.0	-57.57	327.04	4.58	-52.99
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CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266506	0	54	-1.0	-56.36	412.26	7.86	-48.50
COC1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C(C(=O)[O-])=C1	REAL300008266507	0	51	-1.0	-50.50	377.96	7.25	-43.25
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CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCCCCCCC2)S1	REAL300008266514	0	47	-1.0	-49.71	366.70	6.69	-43.02
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O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC1CCCCCCCCC1	REAL300008266519	0	47	-1.0	-54.02	353.91	6.36	-47.66
O=C([O-])C1CCCCN1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266520	0	52	-1.0	-50.05	358.76	6.98	-43.07
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCCCCCC2)=NN1	REAL300008266521	0	44	-1.0	-44.74	341.28	3.28	-41.46
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266522	0	49	-1.0	-45.66	354.49	6.08	-39.58
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266523	0	44	-1.0	-57.57	327.04	4.58	-52.99
O=C([O-])C1=C(S(=O)(=O)NC2CCCCCCCCC2)C=C(Cl)S1	REAL300008266524	0	44	-1.0	-41.83	362.39	7.53	-34.30
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266525	0	47	-1.0	-57.50	336.77	6.75	-50.75
CC1=CC(S(=O)(=O)NC2CCCCCCCCC2)=CN=C1C(=O)[O-]	REAL300008266526	0	49	-1.0	-51.22	369.52	5.68	-45.54
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266527	0	50	-1.0	-56.20	373.05	8.32	-47.88
CCOC1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1C(=O)[O-]	REAL300008266528	0	54	-1.0	-60.75	405.35	7.93	-52.82
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CCCCCCCCC3)C=C2C1	REAL300008266529	0	54	-1.0	-48.49	399.58	8.79	-39.70
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC1CCCCCCCCC1	REAL300008266530	0	46	-1.0	-43.96	346.90	6.19	-37.77
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC3CCCCCCCCC3)C=C2C=C1	REAL300008266531	0	52	-1.0	-54.53	397.98	7.32	-47.21
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1	REAL300008266532	0	49	-1.0	-48.49	370.86	7.52	-40.97
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266533	0	49	-1.0	-51.95	370.88	7.52	-44.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266534	0	52	-1.0	-55.61	385.50	8.42	-47.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266535	0	53	-1.0	-54.43	391.27	7.35	-47.08
CC1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1C(=O)[O-]	REAL300008266536	0	52	-1.0	-51.82	386.93	8.05	-43.77
O=C([O-])C1=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=CS1	REAL300008266537	0	46	-1.0	-45.96	354.05	7.29	-38.67
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266538	0	49	-1.0	-51.95	370.88	7.52	-44.43
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1	REAL300008266539	0	49	-1.0	-48.49	370.86	7.52	-40.97
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266540	0	49	-1.0	-50.18	360.14	8.38	-41.80
O=C([O-])C1=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=CN1	REAL300008266541	0	47	-1.0	-50.86	359.41	5.24	-45.62
O=C([O-])CN1C=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=N1	REAL300008266542	0	49	-1.0	-50.01	375.44	5.63	-44.38
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)S1	REAL300008266543	0	46	-1.0	-46.85	363.15	6.65	-40.20
O=C([O-])C1=CNN=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266544	0	46	-1.0	-51.08	346.99	4.56	-46.52
O=C([O-])C1CCCN(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C1	REAL300008266545	0	54	-1.0	-47.22	386.30	6.54	-40.68
O=C([O-])C1CCN(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)CC1	REAL300008266546	0	54	-1.0	-50.59	387.90	6.65	-43.94
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266547	0	49	-1.0	-50.18	360.14	8.38	-41.80
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266548	0	49	-1.0	-43.86	377.00	8.89	-34.97
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)O1	REAL300008266549	0	46	-1.0	-49.36	355.64	5.89	-43.47
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)O1	REAL300008266550	0	49	-1.0	-48.85	373.86	6.36	-42.49
O=C([O-])CCCS(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266551	0	48	-1.0	-51.32	356.90	6.15	-45.17
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O=C([O-])C1=CC=C(CS(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1	REAL300008266553	0	52	-1.0	-56.83	394.65	8.24	-48.59
O=C([O-])C1CCN(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)CC1	REAL300008266554	0	54	-1.0	-50.59	387.90	6.65	-43.94
O=C([O-])C1=CC=CC(CS(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266555	0	52	-1.0	-59.24	394.67	8.24	-51.00
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)O1	REAL300008266556	0	46	-1.0	-49.36	355.64	5.89	-43.47
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1	REAL300008266557	0	53	-1.0	-47.65	401.94	7.81	-39.84
O=C([O-])CCCS(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266558	0	48	-1.0	-51.32	356.90	6.15	-45.17
O=C([O-])C1=CSC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266559	0	46	-1.0	-48.67	364.06	6.55	-42.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1C	REAL300008266560	0	55	-1.0	-57.13	403.82	8.87	-48.26
CC1=CC=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1C(=O)[O-]	REAL300008266561	0	52	-1.0	-53.41	387.53	8.58	-44.83
O=C([O-])C1=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=CS1	REAL300008266562	0	46	-1.0	-50.68	362.53	6.56	-44.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266563	0	52	-1.0	-47.99	380.05	8.26	-39.73
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1	REAL300008266564	0	52	-1.0	-48.26	393.04	8.31	-39.95
O=C([O-])C1=COC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266565	0	46	-1.0	-48.27	355.88	5.62	-42.65
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266566	0	52	-1.0	-51.04	393.07	8.29	-42.75
CC1=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C(C(=O)[O-])O1	REAL300008266567	0	49	-1.0	-52.71	375.62	6.61	-46.10
O=C([O-])C1=CN=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266568	0	48	-1.0	-45.99	366.04	5.72	-40.27
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O=C([O-])C1=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)SC=N1	REAL300008266570	0	45	-1.0	-53.42	352.45	5.24	-48.18
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266571	0	48	-1.0	-52.39	356.86	6.60	-45.79
O=C([O-])CCCCCS(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266572	0	54	-1.0	-52.42	399.90	7.72	-44.70
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=N1	REAL300008266573	0	48	-1.0	-50.15	366.74	5.73	-44.42
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266574	0	49	-1.0	-46.56	387.61	8.03	-38.53
COC1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1C(=O)[O-]	REAL300008266575	0	53	-1.0	-58.55	398.16	7.58	-50.97
CC1=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=CC=C1C(=O)[O-]	REAL300008266576	0	52	-1.0	-47.39	386.88	8.07	-39.32
CN(CCC(=O)[O-])S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266577	0	50	-1.0	-48.06	370.04	5.74	-42.32
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266578	0	49	-1.0	-46.56	387.61	8.03	-38.53
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266579	0	49	-1.0	-48.44	371.43	8.13	-40.31
O=C([O-])C1=CC=C(CS(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1	REAL300008266580	0	52	-1.0	-56.83	394.65	8.24	-48.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266581	0	53	-1.0	-54.43	391.27	7.35	-47.08
CC1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1C(=O)[O-]	REAL300008266582	0	52	-1.0	-51.82	386.93	8.05	-43.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266583	0	52	-1.0	-55.61	385.50	8.42	-47.19
O=C([O-])CC1(CS(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)CC1	REAL300008266584	0	52	-1.0	-46.37	381.44	7.39	-38.98
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266585	0	52	-1.0	-51.04	393.07	8.29	-42.75
COC1=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)SC(C(=O)[O-])=C1	REAL300008266586	0	50	-1.0	-46.79	389.10	5.80	-40.99
CCC1=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C(C(=O)[O-])O1	REAL300008266587	0	52	-1.0	-52.38	395.21	7.43	-44.95
CC1=NC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1C(=O)[O-]	REAL300008266588	0	51	-1.0	-46.50	382.33	6.23	-40.27
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266589	0	53	-1.0	-48.04	391.29	7.35	-40.69
COC1=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=CC=C1C(=O)[O-]	REAL300008266590	0	53	-1.0	-53.73	398.15	7.59	-46.14
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C=C1F	REAL300008266591	0	52	-1.0	-49.16	398.49	8.33	-40.83
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266592	0	49	-1.0	-51.76	362.82	5.85	-45.91
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266593	0	49	-1.0	-50.32	373.60	6.48	-43.84
O=C([O-])C1=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=CC=C1Cl	REAL300008266594	0	49	-1.0	-49.84	383.38	7.92	-41.92
O=C([O-])C1=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)OC=C1	REAL300008266595	0	46	-1.0	-52.19	348.09	6.38	-45.81
O=C([O-])C1(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)CCC1	REAL300008266596	0	49	-1.0	-44.15	355.69	6.73	-37.42
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266597	0	53	-1.0	-48.63	389.66	7.68	-40.95
O=C([O-])C1=CNN=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266598	0	46	-1.0	-51.08	346.99	4.56	-46.52
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266599	0	49	-1.0	-51.76	362.82	5.85	-45.91
O=C([O-])C1=CC=NC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266600	0	48	-1.0	-46.96	367.10	5.64	-41.32
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266601	0	52	-1.0	-55.01	384.61	8.67	-46.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266602	0	46	-1.0	-45.76	370.53	6.16	-39.60
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266602	1	45	-2.0	-97.44	368.30	5.78	-91.66
COC1=CC=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C(C(=O)[O-])=C1	REAL300008266603	0	53	-1.0	-51.00	389.57	7.68	-43.32
O=C([O-])C1=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=CC=N1	REAL300008266604	0	48	-1.0	-54.55	366.96	5.73	-48.82
O=C([O-])C1=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=NN1	REAL300008266605	0	46	-1.0	-43.08	354.36	3.77	-39.31
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266606	0	49	-1.0	-54.15	372.38	5.27	-48.88
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C1	REAL300008266607	0	49	-1.0	-51.62	359.27	6.55	-45.07
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)C1	REAL300008266608	0	52	-1.0	-53.63	377.91	7.23	-46.40
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)S1	REAL300008266609	0	49	-1.0	-48.82	382.16	7.25	-41.57
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266610	0	52	-1.0	-55.85	383.57	8.71	-47.14
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266611	0	49	-1.0	-53.32	367.51	6.84	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266612	0	54	-1.0	-49.53	377.90	7.59	-41.94
O=C([O-])C1=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=NN1	REAL300008266613	0	46	-1.0	-43.08	354.36	3.77	-39.31
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266614	0	51	-1.0	-46.37	370.48	6.34	-40.03
O=C([O-])C1=CNN=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266615	0	46	-1.0	-51.08	346.99	4.56	-46.52
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266616	0	49	-1.0	-56.29	351.14	7.26	-49.03
CC1=CC(S(=O)(=O)NCCC2C3CC4CC(C3)CC2C4)=CN=C1C(=O)[O-]	REAL300008266617	0	51	-1.0	-51.09	383.56	6.27	-44.82
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266618	0	52	-1.0	-55.85	383.57	8.71	-47.14
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCCC1C2CC3CC(C2)CC1C3	REAL300008266619	0	48	-1.0	-43.55	355.73	6.60	-36.95
CC(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266620	0	37	-1.0	-47.41	310.91	4.37	-43.04
CCC(C)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266621	0	44	-1.0	-52.47	344.11	6.59	-45.88
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300008266622	0	29	-1.0	-38.53	284.25	3.74	-34.79
COC1=CC=C(C)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266623	0	39	-1.0	-61.45	327.99	4.97	-56.48
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266624	0	35	-1.0	-41.04	307.37	5.07	-35.97
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008266625	0	36	-1.0	-52.29	318.73	4.61	-47.68
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008266626	0	38	-1.0	-57.86	326.15	1.52	-56.34
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008266627	0	36	-1.0	-38.45	314.19	3.68	-34.77
COC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1OC	REAL300008266628	0	43	-1.0	-46.72	346.65	3.68	-43.04
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266629	0	35	-1.0	-53.14	303.94	5.56	-47.58
CC1[C@@H](C)[C@@]1(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300008266630	0	43	-1.0	-54.78	324.43	4.05	-50.73
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266631	0	38	-1.0	-56.66	308.62	3.43	-53.23
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008266632	0	48	-1.0	-52.14	367.30	7.81	-44.33
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008266633	0	38	-1.0	-46.44	320.63	3.29	-43.15
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008266634	0	32	-1.0	-53.44	289.48	5.39	-48.05
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008266635	0	32	-1.0	-38.51	289.46	4.51	-34.00
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266636	0	37	-1.0	-57.35	299.55	6.42	-50.93
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008266637	0	38	-1.0	-43.86	326.69	5.79	-38.07
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008266638	0	42	-1.0	-45.42	354.14	0.26	-45.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266639	0	43	-1.0	-51.41	348.05	5.86	-45.55
CC1=CC(F)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266640	0	35	-1.0	-39.73	294.47	4.51	-35.22
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008266641	0	38	-1.0	-44.22	316.17	4.27	-39.95
COCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266642	0	39	-1.0	-53.56	320.51	3.73	-49.83
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=N1	REAL300008266643	0	38	-1.0	-51.24	321.68	1.40	-49.84
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008266644	0	41	-1.0	-65.83	350.48	2.21	-63.62
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008266645	0	37	-1.0	-46.85	316.81	-0.32	-47.17
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(C)=C1C	REAL300008266646	0	42	-1.0	-44.78	333.51	4.41	-40.37
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008266647	0	37	-1.0	-59.28	335.73	5.00	-54.28
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008266648	0	35	-1.0	-39.69	320.35	5.50	-34.19
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008266649	0	37	-1.0	-45.71	317.18	4.51	-41.20
CC1[C@@H](C)[C@@]1(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300008266650	0	42	-1.0	-58.34	344.72	-0.38	-58.72
CC1[C@@H](C)[C@@]1(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300008266651	0	41	-1.0	-37.31	307.60	1.86	-35.45
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=NN1C1=CC=CC=N1	REAL300008266652	0	41	-1.0	-59.71	347.50	6.20	-53.51
CCN1N=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1C	REAL300008266653	0	41	-1.0	-55.71	327.67	4.12	-51.59
CC(C)N1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=N1	REAL300008266654	0	38	-1.0	-42.91	317.66	3.01	-39.90
CC(C)CN1C=NC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266655	0	41	-1.0	-47.96	337.84	5.35	-42.61
CC(C)N1C=NC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266656	0	38	-1.0	-62.68	318.14	5.87	-56.81
CC(C)C1=NC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CN1	REAL300008266657	0	38	-1.0	-45.85	317.08	2.25	-43.60
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008266658	0	44	-1.0	-45.65	319.00	6.42	-39.23
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300008266659	0	45	-1.0	-60.23	382.34	7.50	-52.73
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008266660	0	40	-1.0	-45.61	334.15	3.18	-42.43
COC1=CC(Cl)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1OC	REAL300008266661	0	40	-1.0	-54.90	349.94	4.35	-50.55
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1Br	REAL300008266662	0	35	-1.0	-40.96	312.55	5.17	-35.79
CC1=C(F)C=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266663	0	35	-1.0	-41.31	292.83	4.63	-36.68
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008266664	0	38	-1.0	-55.15	333.52	7.32	-47.83
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008266665	0	37	-1.0	-47.06	323.50	5.93	-41.13
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008266666	0	36	-1.0	-42.53	318.35	3.66	-38.87
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008266667	0	39	-1.0	-55.32	344.16	5.61	-49.71
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266668	0	47	-1.0	-41.79	362.11	4.90	-36.89
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008266669	0	35	-1.0	-51.76	297.64	4.87	-46.89
COCC1=CC=C(OC)C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266670	0	43	-1.0	-63.00	361.64	4.02	-58.98
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008278001	0	45	-1.0	-58.85	371.40	7.22	-51.63
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278002	0	51	-1.0	-48.75	392.65	8.80	-39.95
CC(C)C1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278003	0	48	-1.0	-48.59	376.68	8.41	-40.18
CCCC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278004	0	48	-1.0	-48.30	381.93	8.71	-39.59
COC1=CC=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278005	0	43	-1.0	-59.50	341.15	6.34	-53.16
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=CC=C2)CC1	REAL300008278006	0	42	-1.0	-61.02	340.80	7.22	-53.80
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300008278007	0	43	-1.0	-47.20	363.53	6.29	-40.91
CC1=C(C)C(C)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C)=C1C	REAL300008278008	0	54	-1.0	-55.76	388.32	9.43	-46.33
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300008278009	0	48	-1.0	-57.11	379.81	6.45	-50.66
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278010	0	55	-1.0	-58.58	416.23	8.65	-49.93
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008278011	0	44	-1.0	-59.18	361.20	7.69	-51.49
CC1=NNC(C)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278012	0	42	-1.0	-56.15	330.80	4.27	-51.88
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278013	0	57	-1.0	-54.47	416.34	10.26	-44.21
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008278014	0	42	-1.0	-47.52	355.18	7.48	-40.04
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300008278015	0	49	-1.0	-55.90	378.60	8.96	-46.94
COC1=CC=C(OC)C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278016	0	47	-1.0	-60.60	370.57	5.63	-54.97
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1OC	REAL300008278017	0	47	-1.0	-57.41	375.72	5.70	-51.71
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)CC1	REAL300008278018	0	46	-1.0	-56.02	361.43	8.38	-47.64
CC1=NOC(C)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278019	0	41	-1.0	-54.07	330.09	5.47	-48.60
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300008278020	0	47	-1.0	-49.64	371.21	8.88	-40.76
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)CC1	REAL300008278021	0	44	-1.0	-56.42	352.91	6.35	-50.07
CC(C)CCC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278022	0	54	-1.0	-48.07	421.00	10.00	-38.07
CCOC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1OCC	REAL300008278023	0	53	-1.0	-56.50	418.34	7.53	-48.97
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)CC1	REAL300008278024	0	44	-1.0	-56.93	370.62	1.43	-55.50
CC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300008278025	0	47	-1.0	-53.46	377.50	8.18	-45.28
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1C	REAL300008278026	0	47	-1.0	-57.88	368.82	8.07	-49.81
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CCCCCC2)CC1	REAL300008278027	0	47	-1.0	-56.47	348.84	6.59	-49.88
CC1=CC2=CC=CC(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=C2N=C1	REAL300008278028	0	47	-1.0	-62.42	373.21	8.06	-54.36
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300008278029	0	45	-1.0	-70.65	367.02	7.63	-63.02
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278030	0	43	-1.0	-56.34	357.91	6.86	-49.48
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)CC1	REAL300008278031	0	44	-1.0	-62.46	371.26	1.47	-60.99
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CCCCC2)CC1	REAL300008278032	0	44	-1.0	-45.73	334.59	5.68	-40.05
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CCCC2)CC1	REAL300008278033	0	41	-1.0	-46.30	321.48	4.82	-41.48
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)CC1	REAL300008278034	0	48	-1.0	-56.62	372.61	7.79	-48.83
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=CC=CN=C12	REAL300008278035	0	47	-1.0	-57.76	367.97	7.44	-50.32
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1C	REAL300008278036	0	47	-1.0	-71.20	376.57	9.59	-61.61
CC1CCN(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300008278037	0	47	-1.0	-44.60	349.61	6.05	-38.55
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CC1	REAL300008278038	0	51	-1.0	-60.84	402.35	5.81	-55.03
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)CC1	REAL300008278039	0	45	-1.0	-62.88	376.63	4.02	-58.86
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CC1	REAL300008278040	0	49	-1.0	-61.46	388.08	10.43	-51.03
CC1CC(C)CN(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C1	REAL300008278041	0	50	-1.0	-45.46	372.29	6.67	-38.79
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300008278042	0	45	-1.0	-58.70	352.83	8.50	-50.20
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300008278043	0	49	-1.0	-51.03	391.73	9.92	-41.11
CC1=CC=C(F)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278044	0	42	-1.0	-57.42	330.82	7.00	-50.42
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)CC1	REAL300008278045	0	40	-1.0	-60.06	339.09	4.84	-55.22
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278046	0	43	-1.0	-57.40	356.77	6.83	-50.57
COC1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278047	0	43	-1.0	-57.56	345.39	5.78	-51.78
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278048	0	54	-1.0	-49.13	407.98	9.28	-39.85
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1Cl	REAL300008278049	0	42	-1.0	-47.24	351.88	7.58	-39.66
CC(C)OC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278050	0	49	-1.0	-49.21	385.70	7.33	-41.88
CCC1=CC=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278051	0	45	-1.0	-57.93	349.22	8.37	-49.56
CC1=CC=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278052	0	42	-1.0	-56.16	322.49	6.83	-49.33
CC1=NC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CN1C	REAL300008278053	0	42	-1.0	-62.09	341.37	5.44	-56.65
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CC1	REAL300008278054	0	42	-1.0	-60.93	357.53	7.73	-53.20
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=NON=C32)CC1	REAL300008278055	0	40	-1.0	-60.19	331.72	5.22	-54.97
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CC1	REAL300008278056	0	44	-1.0	-63.46	352.91	7.44	-56.02
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278057	0	45	-1.0	-55.21	368.26	6.99	-48.22
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1F	REAL300008278058	0	43	-1.0	-56.54	352.71	5.87	-50.67
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1F	REAL300008278059	0	42	-1.0	-47.72	343.14	7.17	-40.55
CC1=CC=C(CS(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278060	0	45	-1.0	-48.25	361.64	7.87	-40.38
CN1C=NC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278061	0	39	-1.0	-61.29	319.94	5.60	-55.69
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300008278062	0	38	-1.0	-56.01	310.88	4.70	-51.31
CC1CCCCN1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278063	0	47	-1.0	-45.57	344.13	6.24	-39.33
CC(C)N(C)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278064	0	43	-1.0	-55.49	330.60	5.11	-50.38
CCCN(CCC)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278065	0	49	-1.0	-44.63	372.83	6.73	-37.90
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300008278066	0	42	-1.0	-60.99	372.72	8.19	-52.80
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008278067	0	49	-1.0	-57.66	380.00	7.83	-49.83
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278068	0	44	-1.0	-54.41	351.53	7.56	-46.85
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278069	0	44	-1.0	-55.16	346.62	7.41	-47.75
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278070	0	47	-1.0	-56.12	377.54	9.06	-47.06
CC(C)CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278071	0	51	-1.0	-48.11	398.75	9.18	-38.93
COCCC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278072	0	49	-1.0	-48.95	393.01	6.98	-41.97
COCCN(CCOC)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278073	0	51	-1.0	-55.45	395.54	3.81	-51.64
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278074	0	42	-1.0	-56.88	341.15	7.45	-49.43
COC1=C(C)C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1C	REAL300008278075	0	49	-1.0	-55.01	389.54	7.38	-47.63
CC(C)CCOC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278076	0	55	-1.0	-49.77	429.45	8.82	-40.95
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CC1	REAL300008278077	0	53	-1.0	-50.24	410.49	8.66	-41.58
CC(C)COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278078	0	52	-1.0	-49.86	409.39	8.19	-41.67
CCCOC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278079	0	49	-1.0	-49.68	389.29	7.49	-42.19
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1Cl	REAL300008278080	0	43	-1.0	-55.41	361.42	6.34	-49.07
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1C	REAL300008278081	0	46	-1.0	-50.25	367.07	6.53	-43.72
CC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300008278082	0	52	-1.0	-55.37	405.22	8.07	-47.30
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C)=C1	REAL300008278083	0	46	-1.0	-55.82	351.95	6.13	-49.69
COCCOC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278084	0	50	-1.0	-51.36	401.41	5.96	-45.40
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=CC=C2F)CC1	REAL300008278085	0	42	-1.0	-51.38	345.55	7.23	-44.15
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1C	REAL300008278086	0	47	-1.0	-71.84	359.64	9.10	-62.74
CC1=NC(C)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)S1	REAL300008278087	0	41	-1.0	-57.04	344.81	4.99	-52.05
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CSC3=CC=CC=C23)CC1	REAL300008278088	0	42	-1.0	-55.40	348.80	7.67	-47.73
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2CCCC2)CC1	REAL300008278089	0	45	-1.0	-45.64	344.36	6.90	-38.74
COC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CC=C1F	REAL300008278090	0	43	-1.0	-55.00	352.71	5.87	-49.13
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CSC=C2)CC1	REAL300008278091	0	36	-1.0	-47.13	308.61	5.40	-41.73
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300008278092	0	49	-1.0	-57.63	390.12	9.90	-47.73
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300008278093	0	42	-1.0	-60.12	374.27	8.23	-51.89
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2CCCCC2)CC1	REAL300008278094	0	48	-1.0	-45.58	359.19	7.59	-37.99
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278095	0	47	-1.0	-62.50	373.18	8.08	-54.42
CNC(=O)C1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CN1C	REAL300008278096	0	47	-1.0	-59.21	379.78	4.15	-55.06
COC1=CC(C)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C)=C1	REAL300008278097	0	49	-1.0	-55.01	369.55	7.21	-47.80
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CC1	REAL300008278098	0	50	-1.0	-57.20	401.21	10.61	-46.59
COC1=CC(C)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1C	REAL300008278099	0	49	-1.0	-55.99	372.01	6.87	-49.12
CC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300008278100	0	47	-1.0	-56.71	361.69	7.65	-49.06
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300008278101	0	44	-1.0	-59.21	348.00	6.72	-52.49
CCN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300008278102	0	44	-1.0	-58.64	360.76	7.01	-51.63
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278103	0	47	-1.0	-64.14	378.99	7.75	-56.39
CN(C1CC1)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278104	0	41	-1.0	-55.16	321.17	5.13	-50.03
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300008278105	0	49	-1.0	-54.09	403.49	8.06	-46.03
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)CC1	REAL300008278106	0	42	-1.0	-71.05	345.17	5.71	-65.34
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278107	0	61	-1.0	-55.82	454.89	9.46	-46.36
CC1=CC=CC(CS(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278108	0	45	-1.0	-60.49	361.11	7.88	-52.61
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=CC(F)=C2)CC1	REAL300008278109	0	42	-1.0	-60.80	346.12	7.28	-53.52
CC1=CC=CC=C1CS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278110	0	45	-1.0	-48.20	354.55	7.84	-40.36
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278111	0	49	-1.0	-59.38	384.41	7.93	-51.45
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1	REAL300008278112	0	44	-1.0	-66.40	365.26	6.67	-59.73
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300008278113	0	46	-1.0	-57.72	376.45	7.60	-50.12
CCOCCOC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278114	0	53	-1.0	-51.59	424.37	6.95	-44.64
CCCCCOC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278115	0	55	-1.0	-49.70	433.38	9.08	-40.62
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CC1	REAL300008278116	0	49	-1.0	-56.96	365.17	8.74	-48.22
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CC1	REAL300008278117	0	45	-1.0	-49.77	364.83	8.28	-41.49
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3COCC3=C2)CC1	REAL300008278118	0	44	-1.0	-56.02	353.00	5.79	-50.23
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300008278119	0	47	-1.0	-65.53	379.60	7.74	-57.79
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1	REAL300008278120	0	45	-1.0	-69.16	357.75	2.86	-66.30
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1	REAL300008278121	0	44	-1.0	-54.78	365.82	6.67	-48.11
CCOC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C)=C1	REAL300008278122	0	49	-1.0	-56.07	374.91	7.08	-48.99
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300008278123	0	43	-1.0	-58.11	350.91	6.61	-51.50
CSC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278124	0	43	-1.0	-49.70	357.74	7.51	-42.19
CCCCCCCS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278125	0	50	-1.0	-59.57	388.38	8.10	-51.47
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300008278126	0	45	-1.0	-61.74	379.86	8.24	-53.50
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278127	0	50	-1.0	-58.35	390.86	8.37	-49.98
CCN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)N=C1C	REAL300008278128	0	45	-1.0	-61.07	361.49	6.28	-54.79
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)CC1	REAL300008278129	0	45	-1.0	-59.14	355.86	6.14	-53.00
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)CC1	REAL300008278130	0	44	-1.0	-56.93	346.75	6.58	-50.35
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2CCCO2)CC1	REAL300008278131	0	43	-1.0	-63.65	336.90	4.79	-58.86
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2CCCCO2)CC1	REAL300008278132	0	46	-1.0	-61.38	353.38	5.72	-55.66
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300008278133	0	45	-1.0	-47.48	371.93	8.01	-39.47
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1	REAL300008278134	0	48	-1.0	-55.07	382.34	8.10	-46.97
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C12	REAL300008278135	0	47	-1.0	-53.99	382.74	6.20	-47.79
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278136	0	46	-1.0	-49.82	385.12	7.07	-42.75
COCC1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278137	0	46	-1.0	-57.74	370.99	6.21	-51.53
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=C3OC(C)(C)CC3=CC=C2)CC1	REAL300008278138	0	50	-1.0	-60.93	392.97	7.76	-53.17
CCN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300008278139	0	42	-1.0	-58.38	343.06	5.07	-53.31
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=CC=C2Cl)CC1	REAL300008278140	0	42	-1.0	-49.76	353.65	7.64	-42.12
CC(C1CC1)N(C)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278141	0	47	-1.0	-44.13	355.56	6.30	-37.83
CN1N=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278142	0	39	-1.0	-55.94	317.15	4.17	-51.77
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300008278143	0	42	-1.0	-59.24	367.84	8.11	-51.13
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2CCOC2)CC1	REAL300008278144	0	43	-1.0	-60.39	332.04	4.42	-55.97
CC1CC2=CC(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=CC=C2O1	REAL300008278145	0	47	-1.0	-55.91	372.79	7.08	-48.83
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278146	0	51	-1.0	-54.59	369.14	9.06	-45.53
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300008278147	0	45	-1.0	-59.21	383.42	7.20	-52.01
CCCCCS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278148	0	44	-1.0	-59.59	345.39	6.54	-53.05
COCCN(C)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278149	0	44	-1.0	-56.11	345.23	3.82	-52.29
CN(CC1CC1)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278150	0	44	-1.0	-56.29	347.46	6.17	-50.12
CC1=NC(C2=CC=C(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C2)=CO1	REAL300008278151	0	48	-1.0	-53.83	392.85	5.54	-48.29
CN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300008278152	0	42	-1.0	-58.85	345.75	4.86	-53.99
CC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C(C)O1	REAL300008278153	0	42	-1.0	-56.79	335.38	5.94	-50.85
CC1=CSC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278154	0	39	-1.0	-55.28	329.51	6.16	-49.12
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300008278155	0	42	-1.0	-58.00	346.78	6.91	-51.09
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)CC1	REAL300008278156	0	42	-1.0	-55.40	341.93	5.14	-50.26
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300008278157	0	42	-1.0	-50.90	344.68	3.18	-47.72
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN=C3CCCN23)CC1	REAL300008278158	0	43	-1.0	-59.08	344.98	5.94	-53.14
CC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)SC=C1	REAL300008278159	0	39	-1.0	-57.07	327.71	6.20	-50.87
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)CC1	REAL300008278160	0	47	-1.0	-51.56	370.12	7.09	-44.47
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)CC1	REAL300008278161	0	46	-1.0	-59.07	361.64	8.39	-50.68
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2CCOC2)CC1	REAL300008278162	0	40	-1.0	-48.37	315.38	3.66	-44.71
CC1=CC=C(N2C=C(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=N2)C=C1	REAL300008278163	0	49	-1.0	-54.57	399.48	8.29	-46.28
CC1CC2=CC(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=CC(Cl)=C2O1	REAL300008278164	0	47	-1.0	-55.89	389.70	7.61	-48.28
CC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008278165	0	44	-1.0	-54.42	361.23	7.68	-46.74
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCCCF)CC1	REAL300008278166	0	41	-1.0	-59.67	329.38	5.88	-53.79
CC1=NN(C)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278167	0	42	-1.0	-57.74	338.70	4.78	-52.96
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)O1	REAL300008278168	0	39	-1.0	-56.78	321.58	5.33	-51.45
CC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)N(C)N=C1	REAL300008278169	0	42	-1.0	-53.75	333.14	4.94	-48.81
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)CC1	REAL300008278170	0	41	-1.0	-51.82	348.41	5.95	-45.87
CN(C)C1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278171	0	47	-1.0	-50.39	370.04	6.92	-43.47
CC1=CC2=CC=C(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C2C=C1	REAL300008278172	0	48	-1.0	-56.95	384.28	9.45	-47.50
COC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)SC=C1	REAL300008278173	0	40	-1.0	-61.35	337.17	5.21	-56.14
C=CCCCS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278174	0	42	-1.0	-59.44	335.60	6.31	-53.13
CN(C)C1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278175	0	47	-1.0	-57.27	368.52	6.90	-50.37
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2CCC2)CC1	REAL300008278176	0	42	-1.0	-45.85	329.55	6.28	-39.57
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)CC1	REAL300008278177	0	44	-1.0	-60.67	351.47	6.37	-54.30
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)CC1	REAL300008278178	0	44	-1.0	-54.07	364.66	6.55	-47.52
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)CC1	REAL300008278179	0	44	-1.0	-58.39	352.80	6.35	-52.04
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)CC1	REAL300008278180	0	45	-1.0	-58.87	377.94	8.51	-50.36
CN1CCCC2=CC=C(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C21	REAL300008278181	0	51	-1.0	-57.79	391.18	7.01	-50.78
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CC1	REAL300008278182	0	41	-1.0	-50.82	353.00	5.81	-45.01
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278183	0	47	-1.0	-62.35	369.94	6.98	-55.37
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278184	0	47	-1.0	-54.76	367.06	7.99	-46.77
CC1=CC=C(C)C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300008278185	0	47	-1.0	-66.51	368.92	9.62	-56.89
CC1=CC(C)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008278186	0	47	-1.0	-58.33	366.80	8.03	-50.30
COC1=CC=C(CCS(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278187	0	49	-1.0	-60.16	390.71	7.29	-52.87
COC1=CN=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278188	0	42	-1.0	-50.96	342.08	3.96	-47.00
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)S1	REAL300008278189	0	48	-1.0	-55.49	388.93	8.14	-47.35
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)CC1	REAL300008278190	0	46	-1.0	-48.92	366.74	8.59	-40.33
COC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CC(OC)=C1	REAL300008278191	0	47	-1.0	-51.80	375.40	5.07	-46.73
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCC2CCCCC2)CC1	REAL300008278192	0	51	-1.0	-58.93	381.99	8.17	-50.76
CC1=CC=C(CCS(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278193	0	48	-1.0	-59.37	383.71	8.68	-50.69
CC1=CC2=C(C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)OCO2	REAL300008278194	0	45	-1.0	-55.98	348.48	5.49	-50.49
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CC1	REAL300008278195	0	42	-1.0	-60.20	344.22	6.83	-53.37
COC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CC=C1Cl	REAL300008278196	0	43	-1.0	-54.07	361.42	6.33	-47.74
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCC2CCCC2)CC1	REAL300008278197	0	48	-1.0	-59.00	365.50	7.58	-51.42
CN1C=NC2=CC(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=CC=C21	REAL300008278198	0	45	-1.0	-55.77	365.77	7.85	-47.92
CC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008278199	0	47	-1.0	-64.50	363.01	8.01	-56.49
CC1=NC2=CC=C(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=C2O1	REAL300008278200	0	44	-1.0	-54.14	361.15	4.16	-49.98
CCC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1CC	REAL300008278201	0	51	-1.0	-49.07	393.47	9.03	-40.04
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278202	0	47	-1.0	-51.98	367.27	8.57	-43.41
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278203	0	49	-1.0	-59.40	377.13	8.08	-51.32
CC1=C(C)SC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278204	0	42	-1.0	-55.73	348.84	6.87	-48.86
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC(Cl)=CN=C2N)CC1	REAL300008278205	0	40	-1.0	-53.87	335.11	4.34	-49.53
CC1=NC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)S1	REAL300008278206	0	38	-1.0	-49.71	326.04	4.31	-45.40
CCC1=NC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)S1	REAL300008278207	0	41	-1.0	-55.08	346.99	5.08	-50.00
CC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(N)=NO1	REAL300008278208	0	40	-1.0	-53.04	322.35	3.88	-49.16
CN(C)C1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300008278209	0	46	-1.0	-56.84	365.55	6.20	-50.64
CC1=CC(C)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)S1	REAL300008278210	0	42	-1.0	-57.05	349.62	7.01	-50.04
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CC1	REAL300008278211	0	45	-1.0	-65.22	353.59	7.99	-57.23
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)CC1	REAL300008278212	0	42	-1.0	-50.48	341.25	5.15	-45.33
CC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CC(C)=C1F	REAL300008278213	0	45	-1.0	-53.63	362.99	7.84	-45.79
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1	REAL300008278214	0	46	-1.0	-61.14	371.88	6.23	-54.91
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)CC1	REAL300008278215	0	52	-1.0	-47.80	417.25	8.03	-39.77
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)CC1	REAL300008278216	0	43	-1.0	-54.74	344.00	6.18	-48.56
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300008278217	0	41	-1.0	-60.80	344.90	6.05	-54.75
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300008278218	0	41	-1.0	-51.33	334.10	5.32	-46.01
CC1=NC(CS(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CS1	REAL300008278219	0	41	-1.0	-51.46	346.80	4.88	-46.58
COC(CS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1CC1	REAL300008278220	0	46	-1.0	-59.54	358.57	6.04	-53.50
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)CC1	REAL300008278221	0	42	-1.0	-60.07	356.44	7.73	-52.34
CC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CC=C1Cl	REAL300008278222	0	42	-1.0	-53.61	351.36	7.58	-46.03
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC1	REAL300008278223	0	45	-1.0	-63.61	365.10	7.48	-56.13
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)CC1	REAL300008278224	0	47	-1.0	-60.11	364.75	7.73	-52.38
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CC1	REAL300008278225	0	46	-1.0	-63.46	380.99	4.34	-59.12
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)CC1	REAL300008278226	0	48	-1.0	-56.60	373.53	6.83	-49.77
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300008278227	0	42	-1.0	-47.61	360.19	7.70	-39.91
CCC1(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300008278228	0	42	-1.0	-60.14	322.98	6.79	-53.35
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278229	0	52	-1.0	-57.87	407.02	8.15	-49.72
COC(CS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1CCCC1	REAL300008278230	0	52	-1.0	-61.39	389.87	6.86	-54.53
COC(CS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1CCCCC1	REAL300008278231	0	55	-1.0	-47.58	411.93	7.67	-39.91
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2COC(C)(C)C2)CC1	REAL300008278232	0	46	-1.0	-48.79	356.03	5.06	-43.73
CCOC(CS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C1CC1	REAL300008278233	0	49	-1.0	-60.09	380.04	6.79	-53.30
CCC1=NC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CN1CC1CC1	REAL300008278234	0	52	-1.0	-60.95	410.10	8.29	-52.66
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)CC1	REAL300008278235	0	42	-1.0	-55.25	356.76	6.02	-49.23
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300008278236	0	47	-1.0	-55.99	371.08	8.39	-47.60
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278237	0	46	-1.0	-53.86	362.52	6.44	-47.42
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278238	0	42	-1.0	-53.41	359.78	5.05	-48.36
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CC1	REAL300008278239	0	49	-1.0	-59.06	376.59	9.60	-49.46
CCC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C(C)C=C1OC	REAL300008278240	0	52	-1.0	-57.41	395.54	7.71	-49.70
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=N1	REAL300008278241	0	41	-1.0	-52.99	340.03	5.30	-47.69
CC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300008278242	0	48	-1.0	-58.43	366.62	9.53	-48.90
CC(C)OC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300008278243	0	48	-1.0	-54.98	386.15	5.05	-49.93
COC1=C(F)C=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278244	0	43	-1.0	-54.54	343.57	6.57	-47.97
CCOC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1C(C)C	REAL300008278245	0	55	-1.0	-50.43	427.46	8.74	-41.69
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1F	REAL300008278246	0	51	-1.0	-55.63	395.21	8.75	-46.88
CN1N=C2CCCCC2=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278247	0	49	-1.0	-53.69	374.25	6.50	-47.19
CN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300008278248	0	51	-1.0	-60.46	388.25	6.88	-53.58
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)CC1	REAL300008278249	0	49	-1.0	-52.65	383.91	6.83	-45.82
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278250	0	42	-1.0	-53.29	343.38	5.14	-48.15
COC1=CC=C(F)C=C1CS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278251	0	46	-1.0	-50.15	374.80	6.62	-43.53
C=CCCC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278252	0	49	-1.0	-48.13	393.64	9.25	-38.88
CCC1=NN(C)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278253	0	45	-1.0	-56.77	355.50	5.26	-51.51
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)CC1	REAL300008278254	0	43	-1.0	-56.39	365.70	8.23	-48.16
CCCOC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1CC	REAL300008278255	0	55	-1.0	-55.81	431.54	9.01	-46.80
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278256	0	45	-1.0	-52.61	356.85	8.43	-44.18
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCCC2CC2)CC1	REAL300008278257	0	45	-1.0	-46.03	356.02	7.32	-38.71
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)CC1	REAL300008278258	0	43	-1.0	-57.25	362.11	8.12	-49.13
CCCC1=CC=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278259	0	48	-1.0	-47.51	369.07	8.94	-38.57
COC1=NC=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278260	0	42	-1.0	-51.91	338.49	3.75	-48.16
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)CC1	REAL300008278261	0	44	-1.0	-58.79	346.80	6.65	-52.14
CC1=NC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)N1C	REAL300008278262	0	42	-1.0	-52.16	334.82	5.41	-46.75
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC=N2)CC1	REAL300008278263	0	38	-1.0	-57.73	312.48	4.54	-53.19
CC1=CSC(C)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278264	0	42	-1.0	-47.18	333.88	6.99	-40.19
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)CC1	REAL300008278265	0	46	-1.0	-56.18	365.79	6.17	-50.01
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=NN2C2CCC2)CC1	REAL300008278266	0	46	-1.0	-51.83	363.83	6.32	-45.51
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)CC1	REAL300008278267	0	49	-1.0	-55.57	386.55	7.06	-48.51
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)CC1	REAL300008278268	0	50	-1.0	-59.27	390.92	4.52	-54.75
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CC1	REAL300008278269	0	45	-1.0	-56.12	383.82	7.41	-48.71
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN=C3CCCCN23)CC1	REAL300008278270	0	46	-1.0	-56.90	358.50	6.62	-50.28
COC1=CC(C(C)C)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1C	REAL300008278271	0	55	-1.0	-56.77	410.44	8.05	-48.72
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278272	0	49	-1.0	-57.93	387.32	7.95	-49.98
CC1CC2=CC=CC(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=C2O1	REAL300008278273	0	47	-1.0	-59.58	371.40	7.10	-52.48
CC(C)(C)C1=NC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)S1	REAL300008278274	0	47	-1.0	-54.40	384.55	6.14	-48.26
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278275	0	44	-1.0	-65.08	356.57	6.10	-58.98
CCN1N=NC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278276	0	41	-1.0	-53.67	330.41	3.83	-49.84
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1	REAL300008278277	0	48	-1.0	-45.15	356.74	6.29	-38.86
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)CC1	REAL300008278278	0	40	-1.0	-53.23	331.87	5.30	-47.93
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300008278279	0	42	-1.0	-57.22	355.82	7.94	-49.28
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278280	0	46	-1.0	-53.69	367.09	6.19	-47.50
CC1=CC(C)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C)=C1F	REAL300008278281	0	48	-1.0	-53.31	364.44	8.56	-44.75
COC1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1OC	REAL300008278282	0	47	-1.0	-56.44	366.70	6.32	-50.12
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=COC3=CC=CC=C23)CC1	REAL300008278283	0	42	-1.0	-57.30	343.90	6.69	-50.61
CN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300008278284	0	52	-1.0	-56.77	398.75	7.12	-49.65
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278285	0	51	-1.0	-56.73	395.61	7.10	-49.63
CCCCN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C)=N1	REAL300008278286	0	51	-1.0	-53.46	399.49	7.05	-46.41
CN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C2CC2)=N1	REAL300008278287	0	46	-1.0	-57.56	366.64	6.24	-51.32
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)CC1	REAL300008278288	0	43	-1.0	-51.12	355.68	6.05	-45.07
CN1N=NC2=C(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)C=CC=C21	REAL300008278289	0	44	-1.0	-66.80	360.35	4.95	-61.85
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CCCC(C)(C)C2)CC1	REAL300008278290	0	50	-1.0	-56.41	371.43	6.88	-49.53
CN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C2CCC2)=N1	REAL300008278291	0	49	-1.0	-57.21	380.70	6.62	-50.59
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278292	0	57	-1.0	-57.30	423.17	9.98	-47.32
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)CC1	REAL300008278293	0	49	-1.0	-58.24	390.97	7.15	-51.09
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)CC1	REAL300008278294	0	43	-1.0	-58.33	355.66	7.59	-50.74
COC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008278295	0	48	-1.0	-67.68	381.38	7.70	-59.98
CCCC1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278296	0	48	-1.0	-56.52	381.41	8.72	-47.80
CN1N=C2CCCC2=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278297	0	46	-1.0	-55.44	361.99	6.00	-49.44
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)CC1	REAL300008278298	0	45	-1.0	-46.27	344.91	5.97	-40.30
CC1=CC=CC(C)=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278299	0	45	-1.0	-54.61	339.04	7.92	-46.69
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278300	0	48	-1.0	-55.67	365.53	6.26	-49.41
CC(C)(C)N1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300008278301	0	48	-1.0	-51.70	380.93	6.19	-45.51
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CNN=C2C2CCC2)CC1	REAL300008278302	0	46	-1.0	-52.83	357.79	5.29	-47.54
CC1=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300008278303	0	44	-1.0	-53.93	366.92	6.32	-47.61
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300008278304	0	42	-1.0	-52.82	362.46	7.58	-45.24
CC1=NN(C)C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278305	0	42	-1.0	-55.92	339.44	4.65	-51.27
CC1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1C	REAL300008278306	0	45	-1.0	-56.67	341.39	7.43	-49.24
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278307	0	50	-1.0	-64.32	401.57	8.53	-55.79
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)CC1	REAL300008278308	0	50	-1.0	-57.01	384.69	9.59	-47.42
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CC1	REAL300008278309	0	45	-1.0	-55.57	378.38	7.53	-48.04
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)CC1	REAL300008278310	0	45	-1.0	-55.56	359.42	6.96	-48.60
CN(C1CCC1)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278311	0	44	-1.0	-45.58	338.19	5.62	-39.96
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=NOC3=C2COCC3)CC1	REAL300008278312	0	46	-1.0	-63.32	370.11	4.86	-58.46
CC(C)(C(=O)[O-])C1=CCN(C(=O)N2CCC(F)(F)CC2)CC1	REAL300008278313	0	43	-1.0	-55.42	321.19	8.07	-47.35
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)CC1	REAL300008278314	0	39	-1.0	-61.61	338.84	6.74	-54.87
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)CC1	REAL300008278315	0	46	-1.0	-48.89	366.73	8.59	-40.30
COC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=CS1	REAL300008278316	0	40	-1.0	-48.46	336.49	5.02	-43.44
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)CC1	REAL300008278317	0	49	-1.0	-53.83	381.79	7.11	-46.72
CCC(C)N1N=CC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278318	0	48	-1.0	-55.43	377.02	6.35	-49.08
CN(C(C)(C)C)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278319	0	46	-1.0	-55.84	338.96	5.52	-50.32
CCC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)O1	REAL300008278320	0	42	-1.0	-56.59	343.06	6.11	-50.48
CN(C1CCCCCC1)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278321	0	53	-1.0	-44.52	381.65	7.25	-37.27
CN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300008278322	0	53	-1.0	-57.17	408.93	5.36	-51.81
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)CC1	REAL300008278323	0	45	-1.0	-57.40	369.12	8.02	-49.38
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)CC1	REAL300008278324	0	43	-1.0	-57.52	356.24	6.07	-51.45
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CC1	REAL300008278325	0	54	-1.0	-45.34	398.97	8.70	-36.64
COC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)S1	REAL300008278326	0	40	-1.0	-55.14	339.70	4.94	-50.20
CC1=CC(C)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=NC=CC=C12	REAL300008278327	0	50	-1.0	-64.32	382.62	8.55	-55.77
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CC1	REAL300008278328	0	47	-1.0	-48.03	365.17	6.35	-41.68
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN(CCF)N=C2)CC1	REAL300008278329	0	42	-1.0	-51.60	350.18	5.20	-46.40
CCOCC1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278330	0	49	-1.0	-58.35	393.94	7.20	-51.15
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278331	0	49	-1.0	-56.66	396.61	7.73	-48.93
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)CC1	REAL300008278332	0	52	-1.0	-55.40	402.28	7.44	-47.96
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC=C2CF)CC1	REAL300008278333	0	42	-1.0	-61.18	339.37	7.63	-53.55
CC1=CN=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278334	0	41	-1.0	-50.68	332.87	5.33	-45.35
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008278335	0	48	-1.0	-58.31	369.43	9.00	-49.31
CN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300008278336	0	49	-1.0	-65.68	396.11	7.78	-57.90
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CC3CC2C3)CC1	REAL300008278337	0	42	-1.0	-57.17	328.77	5.41	-51.76
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CC1	REAL300008278338	0	43	-1.0	-56.03	354.28	7.76	-48.27
CCOCCCS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278339	0	45	-1.0	-61.74	357.92	5.02	-56.72
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCC2NC(=O)NC2=O)CC1	REAL300008278340	0	44	-1.0	-49.92	359.67	0.43	-49.49
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)CC1	REAL300008278341	0	42	-1.0	-58.44	341.38	6.89	-51.55
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2CCC(F)(F)CC2)CC1	REAL300008278342	0	45	-1.0	-61.43	349.88	6.95	-54.48
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)CC1	REAL300008278343	0	41	-1.0	-51.12	347.36	5.86	-45.26
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCOC2CCOC2)CC1	REAL300008278344	0	47	-1.0	-49.16	372.37	3.69	-45.47
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2COCCO2)CC1	REAL300008278345	0	44	-1.0	-48.29	345.92	3.86	-44.43
CC1=NC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300008278346	0	48	-1.0	-59.00	392.01	5.46	-53.54
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CC1	REAL300008278347	0	56	-1.0	-60.62	393.96	9.40	-51.22
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCN2C=NN=N2)CC1	REAL300008278348	0	40	-1.0	-63.73	331.84	4.38	-59.35
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2CC(C)(C)CO2)CC1	REAL300008278349	0	49	-1.0	-62.00	375.88	5.81	-56.19
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2CS(=O)(=O)C2)CC1	REAL300008278350	0	42	-1.0	-51.74	347.67	2.22	-49.52
CC(C)(CS(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1)C(C)(F)F	REAL300008278351	0	47	-1.0	-57.06	356.04	6.98	-50.08
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CCCCS(C)(=O)=O)CC1	REAL300008278352	0	47	-1.0	-68.73	386.43	3.30	-65.43
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2CCC(C)(C)CO2)CC1	REAL300008278353	0	52	-1.0	-62.16	391.70	6.65	-55.51
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	REAL300008278354	0	49	-1.0	-46.23	386.99	8.78	-37.45
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300008278355	0	43	-1.0	-51.94	364.45	5.53	-46.41
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CC1	REAL300008278356	0	49	-1.0	-48.39	398.42	9.35	-39.04
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CC1	REAL300008278357	0	48	-1.0	-48.16	369.30	3.86	-44.30
COCCC1(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)CC1	REAL300008278358	0	46	-1.0	-60.86	356.43	5.86	-55.00
CCN1N=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=N1	REAL300008278359	0	41	-1.0	-55.16	336.74	3.35	-51.81
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	REAL300008278360	0	52	-1.0	-46.06	384.00	8.48	-37.58
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)CC1	REAL300008278361	0	43	-1.0	-56.23	360.79	7.82	-48.41
COC1=CC=C(C=C(C)S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300008278362	0	50	-1.0	-57.58	393.53	7.60	-49.98
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278363	0	44	-1.0	-62.12	345.31	3.44	-58.68
CC1=COC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278364	0	39	-1.0	-56.39	321.56	5.18	-51.21
CC1=CC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)O1	REAL300008278365	0	39	-1.0	-56.78	321.58	5.33	-51.45
CCC1=NNC=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278366	0	42	-1.0	-51.98	329.33	3.85	-48.13
COC1=CSC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1OC	REAL300008278367	0	44	-1.0	-59.05	367.24	5.03	-54.02
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	REAL300008278368	0	51	-1.0	-47.62	377.55	6.96	-40.66
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278369	0	50	-1.0	-46.72	397.18	8.33	-38.39
COC1=CC(F)=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(F)=C1	REAL300008278370	0	43	-1.0	-57.20	353.94	6.08	-51.12
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CC1	REAL300008278371	0	43	-1.0	-57.74	361.38	6.12	-51.62
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278372	0	45	-1.0	-55.20	359.09	6.37	-48.83
CN1C=CC2=CC(S(=O)(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=CC=C21	REAL300008278373	0	46	-1.0	-59.74	370.70	8.27	-51.47
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC=C2C(C)(F)F)CC1	REAL300008278374	0	45	-1.0	-68.17	355.25	8.26	-59.91
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278375	0	50	-1.0	-58.01	399.56	8.10	-49.91
CCN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(C2CC2)=N1	REAL300008278376	0	49	-1.0	-57.52	388.17	7.10	-50.42
CC1=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300008278377	0	43	-1.0	-64.27	346.49	5.49	-58.78
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CC1	REAL300008278378	0	45	-1.0	-55.31	378.53	9.27	-46.04
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)CC1	REAL300008278379	0	38	-1.0	-57.94	344.33	4.49	-53.45
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278380	0	52	-1.0	-53.81	404.25	7.70	-46.11
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=C(Cl)OC=C2)CC1	REAL300008278381	0	36	-1.0	-55.48	311.71	4.85	-50.63
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC(Cl)=CS2)CC1	REAL300008278382	0	36	-1.0	-53.27	324.74	6.01	-47.26
COCCC1=CC=C(OC)C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300008278383	0	53	-1.0	-59.50	416.65	6.83	-52.67
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CC1	REAL300008278384	0	45	-1.0	-57.02	367.08	8.95	-48.07
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278385	0	47	-1.0	-54.02	366.99	4.18	-49.84
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)CC1	REAL300008278386	0	46	-1.0	-48.68	348.08	8.06	-40.62
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CCC(C)(C)CC2)CC1	REAL300008278387	0	50	-1.0	-46.23	365.01	6.40	-39.83
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278388	0	42	-1.0	-55.15	355.71	4.22	-50.93
COC1=NC=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=C1C	REAL300008278389	0	45	-1.0	-55.09	364.34	3.93	-51.16
CC(C)CN1C=C(S(=O)(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300008278390	0	48	-1.0	-56.87	379.93	6.68	-50.19
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300008278391	0	48	-1.0	-56.50	377.84	6.16	-50.34
CC(C)(C(=O)[O-])C1=CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)CC1	REAL300008278392	0	49	-1.0	-45.98	376.30	4.14	-41.84
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CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300008278490	0	42	-1.0	-54.07	359.69	7.85	-46.22
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(OC)C=C2CC(=O)[O-])C=C1	REAL300008278491	0	45	-1.0	-64.22	368.59	8.24	-55.98
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C=C1	REAL300008278492	0	41	-1.0	-51.42	359.99	8.59	-42.83
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C=C1	REAL300008278493	0	41	-1.0	-44.78	372.18	8.97	-35.81
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300008278494	0	47	-1.0	-50.33	387.30	9.49	-40.84
CCC1=CC=C(N(C)S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=C1	REAL300008278495	0	38	-1.0	-50.32	323.56	6.28	-44.04
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C=C1	REAL300008278496	0	44	-1.0	-51.31	360.92	9.61	-41.70
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300008278497	0	38	-1.0	-54.02	336.65	6.83	-47.19
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])C=C1	REAL300008278498	0	38	-1.0	-59.30	341.35	9.46	-49.84
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300008278499	0	38	-1.0	-49.53	344.92	8.15	-41.38
CCC1=CC=C(N(C)S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C=C1	REAL300008278500	0	35	-1.0	-52.80	298.94	6.44	-46.36
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300008278501	0	42	-1.0	-64.35	349.43	8.14	-56.21
CCC1=CC=C(N(C)S(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1	REAL300008278502	0	35	-1.0	-51.90	297.69	4.69	-47.21
CCC1=CC=C(N(C)S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=C1	REAL300008278503	0	38	-1.0	-50.32	323.56	6.28	-44.04
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300008278504	0	40	-2.0	-134.75	359.18	8.75	-126.00
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2COC)C=C1	REAL300008278505	0	45	-1.0	-49.63	376.17	7.93	-41.70
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300008278506	0	35	-1.0	-46.99	331.97	6.42	-40.57
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300008278507	0	44	-1.0	-52.88	352.76	9.55	-43.33
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1=CC=C(CC)C=C1	REAL300008278508	0	45	-1.0	-55.05	373.31	8.37	-46.68
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])C=C1	REAL300008278509	0	42	-1.0	-67.09	347.05	8.13	-58.96
CCC1=CC=C(N(C)S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1	REAL300008278510	0	35	-1.0	-45.93	318.78	4.12	-41.81
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C=C1	REAL300008278511	0	38	-1.0	-56.59	329.34	5.37	-51.22
CCC1=CC=C(N(C)S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C=C1	REAL300008278512	0	44	-1.0	-50.79	379.05	10.24	-40.55
CCC1=CC=C(N(C)S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300008278513	0	41	-1.0	-52.85	330.25	7.47	-45.38
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C=C1	REAL300008278514	0	38	-1.0	-52.70	331.46	7.39	-45.31
CCC1=CC=C(N(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300008278515	0	44	-1.0	-70.83	363.05	11.13	-59.70
CCC1=CC=C(N(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)C=C1	REAL300008278516	0	41	-1.0	-45.29	353.20	9.19	-36.10
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1	REAL300008278517	0	41	-1.0	-63.71	342.00	8.97	-54.74
CCC1=CC=C(N(C)S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C=C1	REAL300008278518	0	38	-1.0	-48.60	361.72	8.36	-40.24
CCC1=CC=C(N(C)S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C=C1	REAL300008278519	0	41	-1.0	-64.86	359.48	6.62	-58.24
CCC1=CC=C(N(C)S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C=C1	REAL300008278520	0	41	-1.0	-46.71	363.21	9.08	-37.63
CCC1=CC=C(N(C)S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1	REAL300008278521	0	35	-1.0	-45.93	318.78	4.12	-41.81
CCC1=CC=C(N(C)S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C=C1	REAL300008278522	0	35	-1.0	-55.77	328.85	8.07	-47.70
CCC1=CC=C(N(C)S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C=C1	REAL300008278523	0	40	-1.0	-49.38	344.71	6.75	-42.63
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1	REAL300008278524	0	41	-1.0	-63.71	342.00	8.97	-54.74
CCOC1=CC=C(S(=O)(=O)N(C)C2=CC=C(CC)C=C2)C=C1C(=O)[O-]	REAL300008278525	0	45	-1.0	-62.69	381.55	8.74	-53.95
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300008278526	0	45	-1.0	-52.37	378.60	9.86	-42.51
CCC1=CC=C(N(C)S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C=C1	REAL300008278527	0	37	-1.0	-59.20	313.11	6.98	-52.22
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008278528	0	45	-1.0	-49.80	360.34	4.81	-44.99
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008278529	0	45	-1.0	-53.59	360.35	4.80	-48.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278530	0	48	-1.0	-56.57	375.86	5.60	-50.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278531	0	49	-1.0	-55.25	380.75	4.63	-50.62
CC1=CC=C(S(=O)(=O)NCCC2OCCCC2(C)C)C=C1C(=O)[O-]	REAL300008278532	0	48	-1.0	-53.12	376.39	5.34	-47.78
CC1(C)CCCOC1CCNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008278533	0	42	-1.0	-48.24	343.51	4.59	-43.65
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008278534	0	45	-1.0	-53.59	360.35	4.80	-48.79
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008278535	0	45	-1.0	-49.80	360.34	4.81	-44.99
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008278536	0	45	-1.0	-51.73	349.77	5.67	-46.06
CC1(C)CCCOC1CCNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008278537	0	43	-1.0	-51.93	348.87	2.52	-49.41
CC1(C)CCCOC1CCNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008278538	0	45	-1.0	-52.35	364.91	2.93	-49.42
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008278539	0	42	-1.0	-48.62	352.61	3.93	-44.69
CC1(C)CCCOC1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008278540	0	42	-1.0	-52.84	334.15	1.74	-51.10
CC1(C)CCCOC1CCNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008278541	0	50	-1.0	-49.59	377.73	3.92	-45.67
CC1(C)CCCOC1CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008278542	0	50	-1.0	-52.28	377.39	3.94	-48.34
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008278543	0	45	-1.0	-51.73	349.77	5.67	-46.06
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008278544	0	45	-1.0	-45.38	366.28	6.19	-39.19
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008278545	0	42	-1.0	-50.91	345.11	3.17	-47.74
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2OCCCC2(C)C)O1	REAL300008278546	0	45	-1.0	-50.77	363.34	3.64	-47.13
CC1(C)CCCOC1CCNS(=O)(=O)CCCC(=O)[O-]	REAL300008278547	0	44	-1.0	-51.33	346.37	3.43	-47.90
CC1(C)CCCOC1CCNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008278548	0	47	-1.0	-57.60	360.16	3.95	-53.65
CC1(C)CCCOC1CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008278549	0	48	-1.0	-56.58	384.14	5.53	-51.05
CC1(C)CCCOC1CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008278550	0	50	-1.0	-52.28	377.39	3.94	-48.34
CC1(C)CCCOC1CCNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008278551	0	48	-1.0	-58.68	384.13	5.52	-53.16
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008278552	0	42	-1.0	-50.91	345.11	3.17	-47.74
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008278553	0	49	-1.0	-49.02	391.44	5.09	-43.93
CC1(C)CCCOC1CCNS(=O)(=O)CCCC(=O)[O-]	REAL300008278554	0	44	-1.0	-51.33	346.37	3.43	-47.90
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008278555	0	42	-1.0	-50.37	353.53	3.83	-46.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2OCCCC2(C)C)=C1C	REAL300008278556	0	51	-1.0	-57.42	391.97	6.22	-51.20
CC1=CC=CC(S(=O)(=O)NCCC2OCCCC2(C)C)=C1C(=O)[O-]	REAL300008278557	0	48	-1.0	-56.03	377.27	5.84	-50.19
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2OCCCC2(C)C)=C1	REAL300008278558	0	52	-1.0	-54.55	415.42	4.51	-50.04
CC1(C)CCCOC1CCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008278559	0	42	-1.0	-52.05	352.00	3.82	-48.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278560	0	48	-1.0	-50.33	370.08	5.46	-44.87
CC1(C)CCCOC1CCNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008278561	0	48	-1.0	-53.63	387.87	7.12	-46.51
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008278562	0	48	-1.0	-49.37	382.52	5.59	-43.78
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008278563	0	42	-1.0	-49.42	345.36	2.91	-46.51
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008278564	0	48	-1.0	-52.10	382.52	5.58	-46.52
CC1=C(S(=O)(=O)NCCC2OCCCC2(C)C)C=C(C(=O)[O-])O1	REAL300008278565	0	45	-1.0	-53.91	365.04	3.91	-50.00
CC1(C)CCCOC1CCNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008278566	0	44	-1.0	-47.83	355.52	3.00	-44.83
CC1(C)CCCOC1CCNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008278567	0	41	-1.0	-52.15	337.86	3.05	-49.10
CC1(C)CCCOC1CCNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008278568	0	41	-1.0	-55.36	341.93	2.52	-52.84
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008278569	0	44	-1.0	-54.96	346.35	3.89	-51.07
CC1(C)CCCOC1CCNS(=O)(=O)CCCCCC(=O)[O-]	REAL300008278570	0	50	-1.0	-52.29	389.37	4.99	-47.30
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008278571	0	44	-1.0	-52.08	356.21	3.01	-49.07
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008278572	0	45	-1.0	-48.25	377.09	5.31	-42.94
COC1=CC=C(S(=O)(=O)NCCC2OCCCC2(C)C)C=C1C(=O)[O-]	REAL300008278573	0	49	-1.0	-59.57	387.65	4.87	-54.70
CC1=CC(S(=O)(=O)NCCC2OCCCC2(C)C)=CC=C1C(=O)[O-]	REAL300008278574	0	48	-1.0	-49.26	376.36	5.35	-43.91
CN(CCC(=O)[O-])S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278575	0	46	-1.0	-48.40	359.80	3.01	-45.39
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008278576	0	50	-1.0	-53.89	393.10	5.22	-48.67
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2OCCCC2(C)C)=C1	REAL300008278577	0	52	-1.0	-54.55	415.42	4.51	-50.04
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008278578	0	45	-1.0	-48.25	377.09	5.31	-42.94
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278579	0	45	-1.0	-50.51	360.92	5.40	-45.11
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278580	0	48	-1.0	-50.76	388.80	6.13	-44.63
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCCC3OCCCC3(C)C)C=C21	REAL300008278581	0	51	-1.0	-51.96	407.29	6.14	-45.82
CC1(C)CCCOC1CCNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008278582	0	48	-1.0	-56.58	384.14	5.53	-51.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278583	0	49	-1.0	-55.25	380.75	4.63	-50.62
CC1=CC=C(S(=O)(=O)NCCC2OCCCC2(C)C)C=C1C(=O)[O-]	REAL300008278584	0	48	-1.0	-53.12	376.39	5.34	-47.78
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278585	0	48	-1.0	-56.57	375.86	5.60	-50.97
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278586	0	49	-1.0	-46.78	394.61	4.83	-41.95
CC1(C)CCCOC1CCNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008278587	0	48	-1.0	-47.59	370.92	4.67	-42.92
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008278588	0	48	-1.0	-52.10	382.52	5.58	-46.52
COC1=C(S(=O)(=O)NCCC2OCCCC2(C)C)SC(C(=O)[O-])=C1	REAL300008278589	0	46	-1.0	-48.58	378.57	3.08	-45.50
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008278590	0	50	-1.0	-50.25	397.17	5.47	-44.78
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008278591	0	52	-1.0	-53.42	406.48	6.69	-46.73
CCC1=C(S(=O)(=O)NCCC2OCCCC2(C)C)C=C(C(=O)[O-])O1	REAL300008278592	0	48	-1.0	-53.46	384.57	4.72	-48.74
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008278593	0	47	-1.0	-45.64	377.91	6.33	-39.31
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008278594	0	48	-1.0	-51.69	398.23	6.30	-45.39
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008278595	0	47	-1.0	-40.46	377.74	6.34	-34.12
CC1=NC=C(S(=O)(=O)NCCC2OCCCC2(C)C)C=C1C(=O)[O-]	REAL300008278596	0	47	-1.0	-47.61	371.79	3.52	-44.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278597	0	49	-1.0	-49.33	380.77	4.63	-44.70
COC1=CC(S(=O)(=O)NCCC2OCCCC2(C)C)=CC=C1C(=O)[O-]	REAL300008278598	0	49	-1.0	-55.06	387.64	4.88	-50.18
COC1=CC=C(S(=O)(=O)NCCC2OCCCC2(C)C)C(CC(=O)[O-])=C1	REAL300008278599	0	52	-1.0	-57.69	402.49	5.23	-52.46
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008278600	0	48	-1.0	-51.50	387.94	5.62	-45.88
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCCC2OCCCC2(C)C)C=C1	REAL300008278601	0	54	-1.0	-50.33	413.52	6.45	-43.88
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278602	0	45	-1.0	-52.70	352.25	3.13	-49.57
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008278603	0	51	-1.0	-51.96	396.60	7.02	-44.94
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCC2OCCCC2(C)C)=C1	REAL300008278604	0	45	-1.0	-52.02	363.07	3.76	-48.26
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008278605	0	45	-1.0	-51.80	372.86	5.19	-46.61
CC1(C)CCCOC1CCNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008278606	0	42	-1.0	-53.88	337.57	3.65	-50.23
CC1(C)CCCOC1CCNS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008278607	0	45	-1.0	-45.99	345.25	4.03	-41.96
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCC2OCCCC2(C)C)=C1	REAL300008278608	0	49	-1.0	-50.12	378.94	4.99	-45.13
CC1(C)CCCOC1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008278609	0	42	-1.0	-52.84	334.15	1.74	-51.10
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278610	0	45	-1.0	-52.70	352.25	3.13	-49.57
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008278611	0	47	-2.0	-138.10	387.23	5.77	-132.33
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278612	0	52	-1.0	-54.47	406.75	4.93	-49.54
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008278613	0	44	-1.0	-48.82	356.57	2.93	-45.89
CC1(C)CCCOC1CCNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008278614	0	48	-1.0	-55.97	374.11	5.96	-50.01
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008278615	0	42	-1.0	-47.27	360.01	3.45	-43.82
CC1(C)CCCOC1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008278615	1	41	-2.0	-97.89	357.77	3.08	-94.81
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008278616	0	51	-1.0	-52.17	396.30	7.03	-45.14
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278617	0	52	-1.0	-54.85	399.30	5.61	-49.24
COC1=CC=C(S(=O)(=O)NCCC2OCCCC2(C)C)C(C(=O)[O-])=C1	REAL300008278618	0	49	-1.0	-52.64	379.09	4.97	-47.67
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008278619	0	44	-1.0	-56.10	356.42	3.02	-53.08
CC1(C)CCCOC1CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008278620	0	42	-1.0	-45.06	343.84	1.05	-44.01
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1OCCCC1(C)C	REAL300008278621	0	45	-1.0	-55.54	361.86	2.55	-52.99
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008278622	0	51	-1.0	-52.58	406.26	7.07	-45.51
CC1(C)CCCOC1CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008278623	0	45	-1.0	-52.52	350.35	3.95	-48.57
CC1(C)CCCOC1CCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008278624	0	48	-1.0	-53.81	367.27	4.51	-49.30
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCC2OCCCC2(C)C)S1	REAL300008278625	0	45	-1.0	-50.36	370.43	4.49	-45.87
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008278626	0	51	-1.0	-55.08	395.38	7.96	-47.12
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008278627	0	48	-1.0	-56.80	372.92	5.98	-50.82
CC1(C)CCCOC1CCNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008278628	0	48	-1.0	-67.70	386.72	3.44	-64.26
CC1(C)CCCOC1CCNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008278629	0	48	-1.0	-45.84	386.95	6.04	-39.80
CC1(C)CCCOC1CCNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008278630	0	45	-1.0	-53.70	357.02	4.13	-49.57
CC1(C)CCCOC1CCNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008278631	0	50	-1.0	-50.72	367.48	4.86	-45.86
CC1(C)CCCOC1CCNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008278632	0	42	-1.0	-45.06	343.84	1.05	-44.01
CC1(C)CCCOC1CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008278633	0	47	-1.0	-57.58	360.17	3.96	-53.62
CC1(C)CCCOC1CCNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008278634	0	42	-1.0	-52.84	334.15	1.74	-51.10
CC1(C)CCCOC1CCNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008278635	0	42	-1.0	-43.17	360.50	5.21	-37.96
CC1(C)CCCOC1CCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008278636	0	45	-1.0	-56.16	340.64	4.55	-51.61
CC1=CC(S(=O)(=O)NCCC2OCCCC2(C)C)=CN=C1C(=O)[O-]	REAL300008278637	0	47	-1.0	-52.28	372.74	3.57	-48.71
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008278638	0	48	-1.0	-56.80	372.92	5.98	-50.82
CCOC1=CC=C(S(=O)(=O)NCCC2OCCCC2(C)C)C=C1C(=O)[O-]	REAL300008278639	0	52	-1.0	-59.71	409.49	5.78	-53.93
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008278640	0	52	-1.0	-52.69	405.80	6.69	-46.00
CC1(C)CCCOC1CCNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008278641	0	44	-1.0	-45.86	345.19	3.88	-41.98
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008278642	0	50	-1.0	-55.85	402.11	5.18	-50.67
O=C([O-])CCCS(=O)(=O)NCCCCCC1=CC=C(Br)C=C1	REAL300008278643	0	43	-1.0	-52.87	387.96	7.45	-45.42
O=C([O-])CCCS(=O)(=O)NCCCCCC1=CC=C(Br)C=C1	REAL300008278644	0	43	-1.0	-52.87	387.96	7.45	-45.42
O=C([O-])CCCS(=O)(=O)NCCN1C=CC2=C(Br)C=CC=C21	REAL300008278645	0	38	-1.0	-56.04	356.18	6.34	-49.70
O=C([O-])CCCS(=O)(=O)NCCN1C=CC2=C(Br)C=CC=C21	REAL300008278646	0	38	-1.0	-56.04	356.18	6.34	-49.70
O=C([O-])CCCS(=O)(=O)N1CCC2=C(C=CC(Br)=C2F)C1	REAL300008278647	0	35	-1.0	-51.45	324.65	6.45	-45.00
O=C([O-])CCCS(=O)(=O)N1CCC2=C(C=CC(Br)=C2F)C1	REAL300008278648	0	35	-1.0	-51.45	324.65	6.45	-45.00
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2=C(C=CC(Br)=C2F)C1	REAL300008278649	0	37	-1.0	-50.27	338.62	5.96	-44.31
O=C([O-])C1(S(=O)(=O)N2CCC3=C(C=CC(Br)=C3F)C2)CCC1	REAL300008278650	0	36	-1.0	-42.89	316.42	6.63	-36.26
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC3=C(C=CC(Br)=C3F)C2)C1	REAL300008278651	0	36	-1.0	-50.84	329.16	6.95	-43.89
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC2=C(C=CC(Br)=C2F)C1	REAL300008278652	0	36	-1.0	-53.54	335.26	7.14	-46.40
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC2=C(C=CC(Br)=C2F)C1	REAL300008278653	0	36	-1.0	-54.72	317.92	7.48	-47.24
CC(=O)C1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278654	0	35	-1.0	-54.27	312.85	5.50	-48.77
CCC(C)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278655	0	42	-1.0	-50.62	350.49	7.39	-43.23
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(Cl)S1)C2	REAL300008278656	0	27	-1.0	-47.35	279.92	4.61	-42.74
COC1=CC=C(C)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278657	0	37	-1.0	-50.25	315.76	5.45	-44.80
CC1=CC=C(Br)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278658	0	33	-1.0	-55.48	299.21	5.93	-49.55
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C2	REAL300008278659	0	34	-1.0	-47.94	310.79	5.25	-42.69
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278660	0	36	-1.0	-56.48	331.59	2.49	-53.99
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C2	REAL300008278661	0	34	-1.0	-46.64	316.06	4.81	-41.83
COC1=CC(C)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1OC	REAL300008278662	0	41	-1.0	-48.00	333.22	4.49	-43.51
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278663	0	33	-1.0	-46.68	291.26	5.80	-40.88
CN(C1CCCCC1)S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278664	0	41	-1.0	-48.13	326.35	5.49	-42.64
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(C3CCCCC3)C=C1)C2	REAL300008278665	0	46	-1.0	-48.07	372.80	8.78	-39.29
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3OCCOC3=C1)C2	REAL300008278666	0	36	-1.0	-49.64	315.36	4.12	-45.52
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC=C1Br)C2	REAL300008278667	0	30	-1.0	-51.35	280.19	5.43	-45.92
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC(Br)=C1)C2	REAL300008278668	0	30	-1.0	-47.21	291.37	5.64	-41.57
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278669	0	35	-1.0	-59.90	298.79	6.92	-52.98
O=C([O-])C12CC1CN(S(=O)(=O)CCC1=CC=CC(Cl)=C1)C2	REAL300008278670	0	36	-1.0	-61.76	333.02	6.85	-54.91
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278671	0	40	-1.0	-72.51	353.30	1.40	-71.11
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278672	0	41	-1.0	-55.22	354.42	6.64	-48.58
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC=CC=C3OC1)C2	REAL300008278673	0	36	-1.0	-59.07	315.88	5.35	-53.72
COCC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278674	0	37	-1.0	-51.01	326.89	4.53	-46.48
CCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=N1	REAL300008278675	0	36	-1.0	-48.50	319.92	2.59	-45.91
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278676	0	39	-1.0	-61.37	356.85	3.02	-58.35
CS(=O)(=O)CCCS(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278677	0	35	-1.0	-76.74	319.00	0.89	-75.85
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(C)=C1C	REAL300008278678	0	40	-1.0	-56.98	322.93	5.21	-51.77
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC(Br)=CC3=C1OCC3)C2	REAL300008278679	0	35	-1.0	-48.75	325.31	5.44	-43.31
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=C(Br)C=C1)C2	REAL300008278680	0	33	-1.0	-62.08	316.08	6.18	-55.90
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC=CN=C3C=C1)C2	REAL300008278681	0	35	-1.0	-52.46	310.73	5.40	-47.06
CS(=O)(=O)N1CCN(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)CC1	REAL300008278682	0	40	-1.0	-61.36	344.71	0.47	-60.89
CN(C1CCOCC1)S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278683	0	39	-1.0	-47.48	317.66	2.86	-44.62
CC1=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300008278684	0	39	-1.0	-53.57	338.24	6.05	-47.52
CCN1N=C(C)C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1C	REAL300008278685	0	39	-1.0	-51.61	329.51	4.96	-46.65
CC(C)CN1C=NC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278686	0	39	-1.0	-54.76	331.44	6.57	-48.19
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278687	0	42	-1.0	-49.69	314.57	7.27	-42.42
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OCC(F)F)C3=CC=CC=C31)C2	REAL300008278688	0	43	-1.0	-55.32	367.23	7.56	-47.76
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278689	0	38	-1.0	-61.59	337.37	4.39	-57.20
COC1=CC(Cl)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1OC	REAL300008278690	0	38	-1.0	-48.81	337.08	4.57	-44.24
CC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1Br	REAL300008278691	0	33	-1.0	-46.77	310.39	6.17	-40.60
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(Cl)C3=CC=CC=C31)C2	REAL300008278692	0	36	-1.0	-48.09	318.40	7.38	-40.71
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C2	REAL300008278693	0	35	-1.0	-44.64	321.41	6.82	-37.82
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C2	REAL300008278694	0	34	-1.0	-49.13	316.35	4.62	-44.51
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C([N+](=O)[O-])C3=CC=CN=C31)C2	REAL300008278695	0	37	-1.0	-58.80	334.00	6.13	-52.67
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278696	0	45	-1.0	-51.22	361.61	5.99	-45.23
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(C(F)F)C=C1)C2	REAL300008278697	0	33	-1.0	-51.96	304.02	5.67	-46.29
COCC1=CC=C(OC)C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278698	0	41	-1.0	-51.03	349.43	4.50	-46.53
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008281001	0	47	-1.0	-73.53	379.50	6.56	-66.97
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008281002	0	53	-1.0	-52.45	420.39	7.27	-45.18
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008281003	0	47	-1.0	-52.45	376.74	4.75	-47.70
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008281004	0	48	-1.0	-47.02	406.28	7.50	-39.52
COC1=CC=C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)C=C1C(=O)[O-]	REAL300008281005	0	52	-1.0	-58.91	421.09	7.16	-51.75
CC1=CC(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)=CC=C1C(=O)[O-]	REAL300008281006	0	51	-1.0	-48.43	409.77	7.63	-40.80
CN(CCC(=O)[O-])S(=O)(=O)N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300008281007	0	49	-1.0	-49.62	389.40	5.42	-44.20
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)=C1	REAL300008281008	0	55	-1.0	-55.14	443.78	6.96	-48.18
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008281009	0	48	-1.0	-47.02	406.28	7.50	-39.52
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300008281010	0	48	-1.0	-51.57	381.79	7.46	-44.11
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008281011	0	51	-1.0	-57.00	412.75	7.74	-49.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300008281012	0	52	-1.0	-61.92	409.96	6.79	-55.13
CC1=CC=C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)C=C1C(=O)[O-]	REAL300008281013	0	51	-1.0	-54.90	413.84	7.73	-47.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300008281014	0	51	-1.0	-57.23	397.55	7.49	-49.74
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008281015	0	51	-1.0	-46.87	400.08	6.88	-39.99
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008281016	0	51	-1.0	-48.68	415.99	7.85	-40.83
COC1=C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)SC(C(=O)[O-])=C1	REAL300008281017	0	49	-1.0	-47.53	411.52	5.94	-41.59
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008281018	0	53	-1.0	-49.23	430.66	7.75	-41.48
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008281019	0	55	-1.0	-52.63	435.69	8.88	-43.75
CCC1=C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)C=C(C(=O)[O-])O1	REAL300008281020	0	51	-1.0	-49.48	415.80	6.88	-42.60
CC1=NC=C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)C=C1C(=O)[O-]	REAL300008281021	0	50	-1.0	-46.22	402.67	5.76	-40.46
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300008281022	0	52	-1.0	-48.79	416.15	6.98	-41.81
COC1=CC(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)=CC=C1C(=O)[O-]	REAL300008281023	0	52	-1.0	-55.56	416.22	7.31	-48.25
COC1=CC=C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)C(CC(=O)[O-])=C1	REAL300008281024	0	55	-1.0	-63.49	434.20	7.85	-55.64
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008281025	0	51	-1.0	-48.46	419.03	7.90	-40.56
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008281026	0	57	-1.0	-50.61	448.66	8.78	-41.83
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008281027	0	48	-1.0	-50.12	377.60	5.33	-44.79
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)=C1	REAL300008281028	0	48	-1.0	-51.22	396.52	6.07	-45.15
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008281029	0	48	-1.0	-50.76	406.41	7.47	-43.29
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008281030	0	45	-1.0	-65.50	367.61	5.46	-60.04
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008281031	0	48	-1.0	-45.85	370.32	6.28	-39.57
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)=C1	REAL300008281032	0	52	-1.0	-66.24	409.37	7.60	-58.64
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008281033	0	45	-1.0	-51.02	366.79	4.08	-46.94
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008281034	0	48	-1.0	-50.12	377.60	5.33	-44.79
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008281035	0	50	-2.0	-139.57	416.41	8.16	-131.41
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300008281036	0	55	-1.0	-48.74	435.46	7.04	-41.70
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008281037	0	47	-1.0	-47.80	387.62	5.20	-42.60
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008281038	0	51	-1.0	-56.15	404.98	8.21	-47.94
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008281039	0	45	-1.0	-46.07	390.89	5.70	-40.37
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300008281040	0	55	-1.0	-61.41	431.27	7.70	-53.71
COC1=CC=C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)C(C(=O)[O-])=C1	REAL300008281041	0	52	-1.0	-71.33	411.30	7.72	-63.61
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008281042	0	47	-1.0	-56.83	369.26	4.65	-52.18
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008281043	0	45	-1.0	-44.47	369.80	3.48	-40.99
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008281044	0	48	-1.0	-55.20	391.28	4.72	-50.48
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008281045	0	48	-1.0	-53.21	381.23	6.22	-46.99
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008281046	0	51	-1.0	-54.75	397.81	6.74	-48.01
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)S1	REAL300008281047	0	48	-1.0	-51.71	387.64	6.24	-45.47
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008281048	0	51	-1.0	-63.04	401.96	8.08	-54.96
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008281049	0	51	-1.0	-67.00	415.67	5.84	-61.16
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008281050	0	51	-1.0	-47.08	417.11	8.44	-38.64
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008281051	0	48	-1.0	-54.35	390.49	6.43	-47.92
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008281052	0	53	-1.0	-52.12	389.00	6.66	-45.46
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008281053	0	45	-1.0	-44.47	369.80	3.48	-40.99
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008281054	0	50	-1.0	-58.94	391.14	6.20	-52.74
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008281055	0	45	-1.0	-51.02	366.79	4.08	-46.94
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008281056	0	45	-1.0	-59.06	392.63	7.44	-51.62
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008281057	0	48	-1.0	-57.66	371.64	6.81	-50.85
CC1=CC(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)=CN=C1C(=O)[O-]	REAL300008281058	0	50	-1.0	-52.87	393.57	5.29	-47.58
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008281059	0	51	-1.0	-63.04	401.96	8.08	-54.96
CCOC1=CC=C(S(=O)(=O)N(C)C[C@H]2C[C@@H](OC(C)(C)C)C2)C=C1C(=O)[O-]	REAL300008281060	0	55	-1.0	-59.83	443.11	8.06	-51.77
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008281061	0	55	-1.0	-48.73	425.25	8.50	-40.23
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008281062	0	47	-1.0	-61.68	375.51	6.44	-55.24
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1	REAL300008281063	0	35	-1.0	-50.69	321.36	5.12	-45.57
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281064	0	35	-1.0	-54.36	320.33	5.06	-49.30
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281065	0	38	-1.0	-58.42	336.00	6.01	-52.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281066	0	39	-1.0	-56.51	341.77	4.94	-51.57
CC1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300008281067	0	38	-1.0	-54.75	341.44	5.76	-48.99
O=C([O-])C1=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=CS1	REAL300008281068	0	32	-1.0	-46.04	303.53	4.84	-41.20
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281069	0	35	-1.0	-54.36	320.33	5.06	-49.30
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1	REAL300008281070	0	35	-1.0	-50.69	321.36	5.12	-45.57
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281071	0	35	-1.0	-48.69	310.67	5.98	-42.71
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=CN1	REAL300008281072	0	33	-1.0	-52.16	309.90	2.83	-49.33
O=C([O-])CN1C=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=N1	REAL300008281073	0	35	-1.0	-52.58	324.89	3.19	-49.39
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)S1	REAL300008281074	0	32	-1.0	-49.38	313.57	4.24	-45.14
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281075	0	32	-1.0	-52.11	297.48	2.15	-49.96
O=C([O-])C1CCCN(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C1	REAL300008281076	0	40	-1.0	-50.09	337.51	4.16	-45.93
O=C([O-])C1CCN(S(=O)(=O)NCC2CC(C(F)(F)F)C2)CC1	REAL300008281077	0	40	-1.0	-53.79	338.47	4.25	-49.54
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281078	0	35	-1.0	-48.69	310.67	5.98	-42.71
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281079	0	35	-1.0	-42.84	327.39	6.50	-36.34
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)O1	REAL300008281080	0	32	-1.0	-51.49	306.13	3.49	-48.00
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)O1	REAL300008281081	0	35	-1.0	-50.98	324.36	3.95	-47.03
O=C([O-])CCCS(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281082	0	34	-1.0	-53.00	306.38	3.70	-49.30
O=C([O-])C1CCCN1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281083	0	37	-1.0	-57.10	320.13	4.21	-52.89
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1	REAL300008281084	0	38	-1.0	-60.50	345.16	5.84	-54.66
O=C([O-])C1CCN(S(=O)(=O)NCC2CC(C(F)(F)F)C2)CC1	REAL300008281085	0	40	-1.0	-53.79	338.47	4.25	-49.54
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281086	0	38	-1.0	-60.29	345.14	5.84	-54.45
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)O1	REAL300008281087	0	32	-1.0	-51.49	306.13	3.49	-48.00
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1	REAL300008281088	0	39	-1.0	-50.35	352.46	5.40	-44.95
O=C([O-])CCCS(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281089	0	34	-1.0	-53.00	306.38	3.70	-49.30
O=C([O-])C1=CSC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281090	0	32	-1.0	-50.82	314.49	4.14	-46.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1C	REAL300008281091	0	41	-1.0	-59.51	353.47	6.55	-52.96
CC1=CC=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1C(=O)[O-]	REAL300008281092	0	38	-1.0	-52.99	337.52	6.18	-46.81
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281093	0	42	-1.0	-53.34	375.39	4.78	-48.56
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=CS1	REAL300008281094	0	32	-1.0	-52.37	313.04	4.14	-48.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281095	0	38	-1.0	-50.18	329.55	5.81	-44.37
O=C([O-])C1=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C2=CC=CC=C2S1	REAL300008281096	0	38	-1.0	-51.35	348.88	7.43	-43.92
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1	REAL300008281097	0	38	-1.0	-50.91	343.56	5.89	-45.02
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1[N+](=O)[O-]	REAL300008281098	0	40	-1.0	-44.28	358.58	6.10	-38.18
O=C([O-])C1=COC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281099	0	32	-1.0	-50.23	305.33	3.18	-47.05
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281100	0	38	-1.0	-53.33	343.54	5.89	-47.44
CC1=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C(C(=O)[O-])O1	REAL300008281101	0	35	-1.0	-53.54	325.11	4.16	-49.38
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281102	0	34	-1.0	-48.92	316.55	3.32	-45.60
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281103	0	31	-1.0	-50.39	297.84	3.33	-47.06
O=C([O-])C1=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)SC=N1	REAL300008281104	0	31	-1.0	-54.39	301.93	2.78	-51.61
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281105	0	34	-1.0	-52.60	306.32	4.15	-48.45
O=C([O-])CCCCCS(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281106	0	40	-1.0	-54.43	349.38	5.26	-49.17
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=N1	REAL300008281107	0	34	-1.0	-52.24	316.19	3.27	-48.97
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281108	0	35	-1.0	-47.32	337.06	5.57	-41.75
COC1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300008281109	0	39	-1.0	-60.31	348.66	5.18	-55.13
CC1=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=CC=C1C(=O)[O-]	REAL300008281110	0	38	-1.0	-49.75	336.34	5.61	-44.14
CN(CCC(=O)[O-])S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281111	0	36	-1.0	-49.77	319.52	3.28	-46.49
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCC3CC(C(F)(F)F)C3)C=CC=C21	REAL300008281112	0	40	-1.0	-54.32	353.11	5.48	-48.84
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281113	0	42	-1.0	-53.34	375.39	4.78	-48.56
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281114	0	35	-1.0	-47.32	337.06	5.57	-41.75
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281115	0	35	-1.0	-48.89	320.85	5.67	-43.22
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281116	0	38	-1.0	-52.77	349.83	6.44	-46.33
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3CC(C(F)(F)F)C3)C=C12	REAL300008281117	0	41	-1.0	-53.06	367.27	6.40	-46.66
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1	REAL300008281118	0	38	-1.0	-60.50	345.16	5.84	-54.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281119	0	39	-1.0	-56.51	341.77	4.94	-51.57
CC1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300008281120	0	38	-1.0	-54.75	341.44	5.76	-48.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281121	0	38	-1.0	-58.42	336.00	6.01	-52.41
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281122	0	39	-1.0	-47.88	355.65	5.16	-42.72
O=C([O-])CC1(CS(=O)(=O)NCC2CC(C(F)(F)F)C2)CC1	REAL300008281123	0	38	-1.0	-48.86	330.68	4.95	-43.91
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281124	0	38	-1.0	-53.33	343.54	5.89	-47.44
COC1=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)SC(C(=O)[O-])=C1	REAL300008281125	0	36	-1.0	-48.19	338.58	3.34	-44.85
O=C([O-])C1CC2=CC(S(=O)(=O)NCC3CC(C(F)(F)F)C3)=CC=C2O1	REAL300008281126	0	40	-1.0	-52.12	357.15	5.74	-46.38
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCC3CC(C(F)(F)F)C3)C=C2)CC1	REAL300008281127	0	42	-1.0	-54.81	367.51	7.00	-47.81
CCC1=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C(C(=O)[O-])O1	REAL300008281128	0	38	-1.0	-53.17	344.71	4.98	-48.19
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281129	0	37	-1.0	-44.07	337.85	6.61	-37.46
O=C([O-])C1=CC2=CC(S(=O)(=O)NCC3CC(C(F)(F)F)C3)=CC=C2S1	REAL300008281130	0	38	-1.0	-52.34	358.19	6.56	-45.78
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281131	0	37	-1.0	-38.59	338.84	6.65	-31.94
CC1=NC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300008281132	0	37	-1.0	-48.39	332.84	3.83	-44.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281133	0	39	-1.0	-49.68	340.75	4.90	-44.78
COC1=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=CC=C1C(=O)[O-]	REAL300008281134	0	39	-1.0	-55.85	348.66	5.19	-50.66
COC1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C(CC(=O)[O-])=C1	REAL300008281135	0	42	-1.0	-57.61	362.24	5.54	-52.07
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1F	REAL300008281136	0	38	-1.0	-52.71	349.00	5.94	-46.77
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1	REAL300008281137	0	44	-1.0	-52.39	376.30	6.78	-45.61
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281138	0	35	-1.0	-53.17	313.27	3.44	-49.73
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3CC(C(F)(F)F)C3)C=CC=C12	REAL300008281139	0	41	-1.0	-52.46	357.61	7.33	-45.13
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281140	0	35	-1.0	-52.46	324.10	4.08	-48.38
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=CC=C1Cl	REAL300008281141	0	35	-1.0	-52.76	333.89	5.51	-47.25
O=C([O-])C1=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)OC=C1	REAL300008281142	0	32	-1.0	-61.94	301.77	3.52	-58.42
O=C([O-])C1(S(=O)(=O)NCC2CC(C(F)(F)F)C2)CCC1	REAL300008281143	0	35	-1.0	-42.45	305.19	4.29	-38.16
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281144	0	39	-1.0	-47.46	340.05	5.29	-42.17
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281145	0	32	-1.0	-52.11	297.48	2.15	-49.96
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281146	0	35	-1.0	-53.17	313.27	3.44	-49.73
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300008281147	0	37	-2.0	-136.77	348.23	6.07	-130.70
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281148	0	42	-1.0	-56.70	367.76	5.25	-51.45
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281149	0	34	-1.0	-48.58	316.55	3.18	-45.40
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281150	0	38	-1.0	-56.44	335.12	6.27	-50.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C1	REAL300008281151	0	32	-1.0	-47.58	321.03	3.76	-43.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC(C(F)(F)F)C2)=C1	REAL300008281151	1	31	-2.0	-92.84	318.80	3.40	-89.44
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C2=CC=CC=C12	REAL300008281152	0	41	-1.0	-52.07	356.25	7.30	-44.77
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281153	0	42	-1.0	-55.98	361.62	5.79	-50.19
COC1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C(C(=O)[O-])=C1	REAL300008281154	0	39	-1.0	-50.04	339.10	5.23	-44.81
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=CC=N1	REAL300008281155	0	34	-1.0	-56.79	316.39	3.28	-53.51
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=NN1	REAL300008281156	0	32	-1.0	-44.13	303.81	1.32	-42.81
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281157	0	35	-1.0	-55.25	321.87	2.81	-52.44
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC3CC(C(F)(F)F)C3)C=C2C=C1	REAL300008281158	0	41	-1.0	-54.11	367.28	7.37	-46.74
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2CC(C(F)(F)F)C2)C1	REAL300008281159	0	35	-1.0	-55.08	309.78	4.16	-50.92
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2CC(C(F)(F)F)C2)C1	REAL300008281160	0	38	-1.0	-55.33	326.75	4.75	-50.58
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)S1	REAL300008281161	0	35	-1.0	-50.91	331.64	4.79	-46.12
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281162	0	41	-1.0	-51.54	356.34	8.26	-43.28
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281163	0	38	-1.0	-56.61	332.73	6.26	-50.35
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC1CC(C(F)(F)F)C1)=C2	REAL300008281164	0	35	-1.0	-50.17	350.09	5.65	-44.52
O=C([O-])C1=NC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=C2C=CC=CN21	REAL300008281165	0	38	-1.0	-67.60	346.67	3.70	-63.90
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC3CC(C(F)(F)F)C3)=C2C=C1	REAL300008281166	0	38	-1.0	-47.52	349.45	6.29	-41.23
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281167	0	35	-1.0	-55.42	316.95	4.40	-51.02
O=C([O-])C1CCCCN1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281168	0	40	-1.0	-49.42	328.51	5.17	-44.25
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=NN1	REAL300008281169	0	32	-1.0	-44.13	303.81	1.32	-42.81
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281170	0	37	-1.0	-61.44	323.13	3.96	-57.48
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281171	0	32	-1.0	-52.11	297.48	2.15	-49.96
O=C([O-])C1=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C(Cl)S1	REAL300008281172	0	32	-1.0	-40.92	321.53	5.52	-35.40
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281173	0	35	-1.0	-59.44	301.64	4.86	-54.58
CC1=CC(S(=O)(=O)NCC2CC(C(F)(F)F)C2)=CN=C1C(=O)[O-]	REAL300008281174	0	37	-1.0	-53.09	334.05	3.87	-49.22
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281175	0	38	-1.0	-56.61	332.73	6.26	-50.35
CCOC1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300008281176	0	42	-1.0	-59.79	370.52	6.09	-53.70
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3CC(C(F)(F)F)C3)C=C2C1	REAL300008281177	0	42	-1.0	-54.76	366.82	7.00	-47.76
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1CC(C(F)(F)F)C1	REAL300008281178	0	34	-1.0	-43.63	305.22	4.14	-39.49
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC3CC(C(F)(F)F)C3)C=C2C=C1	REAL300008281179	0	40	-1.0	-57.36	363.13	5.50	-51.86
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2)=C1F	REAL300008281180	0	46	-1.0	-58.86	385.65	7.77	-51.09
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C2)=C1F	REAL300008281181	0	46	-1.0	-58.93	385.72	7.77	-51.16
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)C2)=C1F	REAL300008281182	0	43	-1.0	-64.95	365.43	7.32	-57.63
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C2)=C1F	REAL300008281183	0	46	-1.0	-58.93	385.72	7.77	-51.16
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2)=C1F	REAL300008281184	0	46	-1.0	-58.86	385.65	7.77	-51.09
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])C2)=C1F	REAL300008281185	0	46	-1.0	-79.18	375.90	8.80	-70.38
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)C2)=C1F	REAL300008281186	0	44	-1.0	-64.65	374.21	5.51	-59.14
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CN(CC(=O)[O-])N=C3)C2)=C1F	REAL300008281187	0	46	-1.0	-57.58	389.74	5.93	-51.65
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)C2)=C1F	REAL300008281188	0	43	-1.0	-59.76	377.98	6.90	-52.86
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2)=C1F	REAL300008281189	0	43	-1.0	-57.41	358.84	4.73	-52.68
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])C2)=C1F	REAL300008281190	0	46	-1.0	-79.18	375.90	8.80	-70.38
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2)=C1F	REAL300008281191	0	43	-1.0	-53.97	369.98	6.16	-47.81
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)C2)=C1F	REAL300008281192	0	46	-1.0	-59.33	388.67	6.61	-52.72
COC1=CC=CC(C2CCCN(S(=O)(=O)CCCC(=O)[O-])C2)=C1F	REAL300008281193	0	45	-1.0	-60.58	371.21	6.42	-54.16
COC1=CC=CC(C2CCCN(S(=O)(=O)N3CCCC3C(=O)[O-])C2)=C1F	REAL300008281194	0	48	-1.0	-52.37	382.55	6.19	-46.18
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2)=C1F	REAL300008281195	0	43	-1.0	-53.97	369.98	6.16	-47.81
COC1=CC=CC(C2CCCN(S(=O)(=O)CCCC(=O)[O-])C2)=C1F	REAL300008281196	0	45	-1.0	-60.58	371.21	6.42	-54.16
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)C2)=C1F	REAL300008281197	0	43	-1.0	-57.19	378.88	6.81	-50.38
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)C2)=C1F	REAL300008281198	0	43	-1.0	-57.24	376.87	6.82	-50.42
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)C2)=C1F	REAL300008281199	0	43	-1.0	-54.21	370.18	5.92	-48.29
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)C2)=C1F	REAL300008281200	0	46	-1.0	-58.73	376.01	6.49	-52.24
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)C2)=C1F	REAL300008281201	0	45	-1.0	-54.77	380.85	5.98	-48.79
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=CN=C3C(=O)[O-])C2)=C1F	REAL300008281202	0	45	-1.0	-73.11	367.82	6.91	-66.20
COC1=CC=CC(C2CCCN(S(=O)(=O)CCCCCC(=O)[O-])C2)=C1F	REAL300008281203	0	51	-1.0	-61.27	414.21	7.98	-53.29
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)C2)=C1F	REAL300008281204	0	45	-1.0	-55.74	381.08	6.01	-49.73
COC1=CC=CC(C2CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)=C1F	REAL300008281205	0	47	-1.0	-59.05	385.14	5.98	-53.07
COC1=CC=CC(C2CCCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)=C1F	REAL300008281206	0	49	-1.0	-62.08	396.44	7.66	-54.42
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)C2)=C1F	REAL300008281207	0	46	-1.0	-57.42	373.61	5.97	-51.45
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC(C)=C(C(=O)[O-])O3)C2)=C1F	REAL300008281208	0	46	-1.0	-66.43	388.40	6.74	-59.69
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)C2)=C1F	REAL300008281209	0	43	-1.0	-67.12	367.04	6.20	-60.92
COC1=CC=CC(C2CCCN(S(=O)(=O)C3(C(=O)[O-])CCC3)C2)=C1F	REAL300008281210	0	46	-1.0	-49.24	363.15	6.62	-42.62
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2)=C1F	REAL300008281211	0	43	-1.0	-57.41	358.84	4.73	-52.68
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)C2)=C1F	REAL300008281212	0	46	-1.0	-57.42	373.61	5.97	-51.45
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C2)=C1F	REAL300008281213	0	45	-1.0	-53.04	381.43	5.91	-47.13
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC=NC(C(=O)[O-])=C3)C2)=C1F	REAL300008281214	0	45	-1.0	-60.87	381.31	6.04	-54.83
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2)=C1F	REAL300008281215	0	43	-1.0	-48.97	368.71	4.05	-44.92
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=NN3C)C2)=C1F	REAL300008281216	0	46	-1.0	-63.99	386.22	5.57	-58.42
COC1=CC=CC(C2CCCN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2)=C1F	REAL300008281217	0	46	-1.0	-61.33	375.24	6.96	-54.37
COC1=CC=CC(C2CCCN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2)=C1F	REAL300008281218	0	49	-1.0	-63.99	388.68	7.34	-56.65
COC1=CC=CC(C2CCCN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])C2)=C1F	REAL300008281219	0	46	-1.0	-62.46	381.88	7.14	-55.32
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2)=C1F	REAL300008281220	0	43	-1.0	-48.97	368.71	4.05	-44.92
COC1=CC=CC(C2CCCN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C2)=C1F	REAL300008281221	0	48	-1.0	-70.73	387.02	6.62	-64.11
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2)=C1F	REAL300008281222	0	43	-1.0	-57.41	358.84	4.73	-52.68
COC1=CC=CC(C2CCCN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])C2)=C1F	REAL300008281223	0	46	-1.0	-61.35	365.96	7.51	-53.84
COC1=CC=CC(C2CCCN(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])C2)=C1F	REAL300008281224	0	45	-1.0	-63.94	366.38	6.85	-57.09
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)CCC2=C1	REAL300008281225	0	50	-1.0	-54.34	414.04	5.14	-49.20
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCC2=C1	REAL300008281226	0	49	-1.0	-55.15	398.19	4.29	-50.86
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCC2=C1	REAL300008281227	0	49	-1.0	-50.67	409.87	5.78	-44.89
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)CCCC(=O)[O-])CCC2=C1	REAL300008281228	0	51	-1.0	-53.47	411.08	6.01	-47.46
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)N3CCCC3C(=O)[O-])CCC2=C1	REAL300008281229	0	54	-1.0	-61.32	426.16	6.40	-54.92
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCC2=C1	REAL300008281230	0	49	-1.0	-50.67	409.87	5.78	-44.89
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)CCCC(=O)[O-])CCC2=C1	REAL300008281231	0	51	-1.0	-53.47	411.08	6.01	-47.46
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CCC2=C1	REAL300008281232	0	49	-1.0	-50.46	410.12	5.52	-44.94
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)CCCCCC(=O)[O-])CCC2=C1	REAL300008281233	0	57	-1.0	-54.49	454.08	7.57	-46.92
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC(CCC(C)(C)O)=CC=C2C1	REAL300008281234	0	53	-1.0	-50.36	424.49	5.61	-44.75
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CCC2=C1	REAL300008281235	0	55	-1.0	-51.71	437.01	7.25	-44.46
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CCC2=C1	REAL300008281236	0	49	-1.0	-61.00	406.85	5.81	-55.19
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3(C(=O)[O-])CCC3)CCC2=C1	REAL300008281237	0	52	-1.0	-44.78	403.32	6.20	-38.58
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCC2=C1	REAL300008281238	0	49	-1.0	-55.15	398.19	4.29	-50.86
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCC2=C1	REAL300008281239	0	49	-1.0	-45.35	408.58	3.65	-41.70
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CCC2=C1	REAL300008281240	0	52	-1.0	-54.12	415.67	6.56	-47.56
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CCC2=C1	REAL300008281241	0	55	-1.0	-56.97	429.10	6.97	-50.00
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])CCC2=C1	REAL300008281242	0	52	-1.0	-54.47	422.16	6.72	-47.75
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCC2=C1	REAL300008281243	0	49	-1.0	-45.35	408.58	3.65	-41.70
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CCC2=C1	REAL300008281244	0	54	-1.0	-60.88	427.36	6.24	-54.64
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCC2=C1	REAL300008281245	0	49	-1.0	-55.15	398.19	4.29	-50.86
CC(C)(O)CCC1=CC=C2CN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])CCC2=C1	REAL300008281246	0	52	-1.0	-57.10	404.73	7.06	-50.04
CC(NS(=O)(=O)C1=CC=CC=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281247	0	38	-1.0	-38.72	326.69	6.48	-32.24
CC(NS(=O)(=O)C1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281248	0	38	-1.0	-42.35	336.14	6.48	-35.87
CC(NS(C)(=O)=O)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281249	0	31	-1.0	-37.08	271.50	3.48	-33.60
CC(NS(=O)(=O)C1=CC=CS1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281250	0	35	-1.0	-37.70	320.08	5.62	-32.08
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300008281251	0	38	-1.0	-38.82	341.78	6.40	-32.42
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300008281252	0	38	-1.0	-40.44	332.13	4.14	-36.30
CC(NS(=O)(=O)CCC1CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281253	0	41	-1.0	-37.66	346.07	6.69	-30.97
CC(NS(=O)(=O)CC1=NOC=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281254	0	37	-1.0	-43.85	327.84	4.64	-39.21
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=NN1C	REAL300008281255	0	41	-1.0	-54.82	351.30	5.02	-49.80
COCCC(C)S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281256	0	44	-1.0	-42.66	366.54	4.97	-37.69
CCC(C)CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281257	0	43	-1.0	-37.43	349.15	6.49	-30.94
CC(NS(=O)(=O)CCOCC1CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281258	0	45	-1.0	-40.43	379.97	5.95	-34.48
CCOCC(C)CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281259	0	47	-1.0	-36.60	385.51	5.91	-30.69
CC1=NOC(CS(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008281260	0	40	-1.0	-37.96	349.80	5.52	-32.44
CC(NS(=O)(=O)CCC1CCCO1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281261	0	45	-1.0	-42.45	370.88	5.46	-36.99
CN1N=NC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281262	0	37	-1.0	-40.99	323.87	2.98	-38.01
CC(NS(=O)(=O)CCC1CCC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281263	0	44	-1.0	-43.97	365.31	7.08	-36.89
COCC1(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008281264	0	42	-1.0	-57.51	348.10	5.86	-51.65
CC(NS(=O)(=O)CCC1CCOC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281265	0	45	-1.0	-38.13	368.41	5.16	-32.97
CN1C=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300008281266	0	38	-1.0	-58.19	335.07	4.71	-53.48
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300008281267	0	41	-1.0	-39.33	348.11	7.15	-32.18
CCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281268	0	34	-1.0	-37.10	292.97	4.33	-32.77
CC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008281269	0	41	-1.0	-39.20	348.11	7.14	-32.06
CC(NS(=O)(=O)C=CC1=CC=CC=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281270	0	42	-1.0	-43.12	365.48	7.77	-35.35
CCCCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281271	0	40	-1.0	-37.24	335.97	5.90	-31.34
CC(NS(=O)(=O)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281272	0	41	-1.0	-40.41	352.85	7.37	-33.04
CC1=NOC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281273	0	40	-1.0	-40.80	338.03	5.04	-35.76
CC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281274	0	41	-1.0	-53.57	345.43	7.62	-45.95
CC1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CN1C	REAL300008281275	0	41	-1.0	-62.12	353.79	6.28	-55.84
CN1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008281276	0	38	-1.0	-61.70	334.18	6.53	-55.17
CC(NS(=O)(=O)C1=CC=CN=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281277	0	37	-1.0	-42.60	324.75	4.57	-38.03
CC(NS(=O)(=O)C1CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281278	0	35	-1.0	-54.02	302.08	5.43	-48.59
CC(NS(=O)(=O)CC1CCCC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281279	0	44	-1.0	-43.98	359.05	6.95	-37.03
CC(NS(=O)(=O)C1=CSC=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281280	0	35	-1.0	-36.89	318.11	5.44	-31.45
CCCCCCCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281281	0	49	-1.0	-37.27	400.46	8.25	-29.02
CC(NS(=O)(=O)CC1CCCO1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281282	0	42	-1.0	-39.97	348.48	4.78	-35.19
CC(NS(=O)(=O)CC1CCCCO1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281283	0	45	-1.0	-39.57	367.06	5.57	-34.00
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300008281284	0	41	-1.0	-41.03	353.69	5.00	-36.03
CN1N=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281285	0	38	-1.0	-50.25	328.59	4.52	-45.73
CC(NS(=O)(=O)CC1CCOC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281286	0	42	-1.0	-38.67	345.14	4.58	-34.09
CCCCCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281287	0	43	-1.0	-37.25	357.46	6.68	-30.57
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C(C)O1	REAL300008281288	0	41	-1.0	-53.57	353.47	6.46	-47.11
CC1=CSC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008281289	0	38	-1.0	-38.24	341.65	6.28	-31.96
CC(NS(=O)(=O)C1=CC=CO1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281290	0	35	-1.0	-53.12	313.21	5.09	-48.03
CC(NS(=O)(=O)C1=COC=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281291	0	35	-1.0	-38.86	310.27	4.43	-34.43
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)SC=C1	REAL300008281292	0	38	-1.0	-43.15	337.71	5.95	-37.20
CC(NS(=O)(=O)C1=CNC=N1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281293	0	35	-1.0	-48.65	312.84	3.86	-44.79
CC(NS(=O)(=O)CCCF)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281294	0	37	-1.0	-35.44	321.05	5.27	-30.17
CC(NS(=O)(=O)CCCCF)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281295	0	40	-1.0	-38.26	342.55	6.05	-32.21
CC1=NN(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281296	0	41	-1.0	-50.96	354.39	5.16	-45.80
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300008281297	0	38	-1.0	-53.45	334.95	5.94	-47.51
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N(C)N=C1	REAL300008281298	0	41	-1.0	-39.87	342.22	5.05	-34.82
C=C(C)CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281299	0	38	-1.0	-38.17	325.88	5.58	-32.59
C=CCCCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281300	0	41	-1.0	-37.16	348.78	6.47	-30.69
CC(NS(=O)(=O)CC1CCC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281301	0	41	-1.0	-44.20	344.01	6.30	-37.90
CC(NS(=O)(=O)CCC1CCCC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281302	0	47	-1.0	-43.87	381.30	7.62	-36.25
CC(NS(=O)(=O)C1(C)CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281303	0	38	-1.0	-42.77	319.94	5.66	-37.11
CC1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300008281304	0	37	-1.0	-38.85	336.91	4.39	-34.46
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(N)=NO1	REAL300008281305	0	39	-1.0	-39.96	332.55	3.59	-36.37
CC1=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(N)=NO1	REAL300008281305	1	38	-2.0	-107.99	345.80	3.98	-104.01
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300008281306	0	40	-1.0	-40.76	343.40	5.27	-35.49
COC(CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300008281307	0	45	-1.0	-39.23	372.82	5.81	-33.42
CCC1(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008281308	0	41	-1.0	-56.90	332.04	7.11	-49.79
CC(NS(=O)(=O)CCCC1CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281309	0	44	-1.0	-37.28	367.57	7.47	-29.81
CC1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N1C	REAL300008281310	0	41	-1.0	-52.04	349.94	5.74	-46.30
CCN1N=NC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281311	0	40	-1.0	-47.03	343.14	4.05	-42.98
CC1=NN(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008281312	0	41	-1.0	-50.32	350.58	5.10	-45.22
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300008281313	0	41	-1.0	-53.40	356.43	6.72	-46.68
CC1=CN=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008281314	0	40	-1.0	-40.30	343.26	5.30	-35.00
CCOCCCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281315	0	44	-1.0	-36.97	369.99	5.16	-31.81
CC(NS(=O)(=O)CC1COCCO1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281316	0	43	-1.0	-38.74	357.41	3.82	-34.92
COCCC1(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008281317	0	45	-1.0	-57.09	365.74	6.17	-50.92
CCN1N=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300008281318	0	40	-1.0	-43.50	353.70	3.61	-39.89
CCN1N=CC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300008281318	1	39	-2.0	-115.81	360.46	3.41	-112.40
CC1=COC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300008281319	0	38	-1.0	-42.97	337.59	5.40	-37.57
CC(NS(=O)(=O)C1=C(Cl)OC=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281320	0	35	-1.0	-49.95	329.77	5.40	-44.55
CC(NS(=O)(=O)C1=CN=CS1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300008281321	0	34	-1.0	-37.30	314.45	3.69	-33.61
COC1=CC=C(C2CCN(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)C2(C)C)C=C1F	REAL300008281322	0	47	-1.0	-57.07	384.50	5.67	-51.40
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2(C)C)C=C1F	REAL300008281323	0	46	-1.0	-54.82	374.17	5.17	-49.65
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2(C)C)C=C1F	REAL300008281324	0	46	-1.0	-53.17	379.98	6.35	-46.82
COC1=CC=C(C2CCN(S(=O)(=O)CCCC(=O)[O-])C2(C)C)C=C1F	REAL300008281325	0	48	-1.0	-55.96	383.07	6.67	-49.29
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2(C)C)C=C1F	REAL300008281326	0	46	-1.0	-53.17	379.98	6.35	-46.82
COC1=CC=C(C2CCN(S(=O)(=O)CCCC(=O)[O-])C2(C)C)C=C1F	REAL300008281327	0	48	-1.0	-55.96	383.07	6.67	-49.29
COC1=CC=C(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)C2(C)C)C=C1F	REAL300008281328	0	46	-1.0	-51.42	383.83	6.20	-45.22
COC1=CC=C(C2CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2(C)C)C=C1F	REAL300008281329	0	50	-1.0	-53.07	391.72	6.08	-46.99
COC1=CC=C(C2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2(C)C)C=C1F	REAL300008281330	0	52	-1.0	-50.95	406.98	7.95	-43.00
COC1=CC=C(C2CCN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)C2(C)C)C=C1F	REAL300008281331	0	46	-1.0	-66.57	379.25	6.49	-60.08
COC1=CC=C(C2CCN(S(=O)(=O)C3(C(=O)[O-])CCC3)C2(C)C)C=C1F	REAL300008281332	0	49	-1.0	-42.69	366.99	6.78	-35.91
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2(C)C)C=C1F	REAL300008281333	0	46	-1.0	-54.82	374.17	5.17	-49.65
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2(C)C)C=C1F	REAL300008281334	0	46	-1.0	-47.56	378.95	4.25	-43.31
COC1=CC=C(C2CCN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2(C)C)C=C1F	REAL300008281335	0	49	-1.0	-57.14	387.12	7.21	-49.93
COC1=CC=C(C2CCN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2(C)C)C=C1F	REAL300008281336	0	52	-1.0	-58.51	402.45	7.70	-50.81
COC1=CC=C(C2CCN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])C2(C)C)C=C1F	REAL300008281337	0	49	-1.0	-58.02	394.33	7.38	-50.64
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)C2(C)C)C=C1F	REAL300008281338	0	46	-1.0	-47.56	378.95	4.25	-43.31
COC1=CC=C(C2CCN(S(=O)(=O)C3=NNC=C3C(=O)[O-])C2(C)C)C=C1F	REAL300008281339	0	46	-1.0	-54.82	374.17	5.17	-49.65
COC1=CC=C(C2CCN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])C2(C)C)C=C1F	REAL300008281340	0	49	-1.0	-61.81	376.94	7.76	-54.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281341	0	43	-1.0	-55.06	320.82	5.57	-49.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281342	0	44	-1.0	-53.87	333.85	4.40	-49.47
CC1=CC=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C1C(=O)[O-]	REAL300008281343	0	43	-1.0	-50.51	320.47	5.18	-45.33
CC(C)(C)C(C)(C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008281344	0	37	-1.0	-47.41	288.14	4.49	-42.92
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008281345	0	40	-1.0	-50.07	307.56	2.65	-47.42
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008281346	0	37	-1.0	-47.04	295.14	3.70	-43.34
CC(C)(C)C(C)(C)NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008281347	0	45	-1.0	-46.93	314.60	3.80	-43.13
CC(C)(C)C(C)(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008281348	0	45	-1.0	-50.81	319.34	4.30	-46.51
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008281349	0	40	-1.0	-44.14	309.68	5.98	-38.16
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)(C)C(C)(C)C)O1	REAL300008281350	0	40	-1.0	-48.92	307.64	3.71	-45.21
CC(C)(C)C(C)(C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008281351	0	43	-1.0	-56.32	327.91	5.47	-50.85
CC(C)(C)C(C)(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008281352	0	45	-1.0	-50.81	319.34	4.30	-46.51
CC(C)(C)C(C)(C)NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008281353	0	43	-1.0	-58.20	327.79	5.51	-52.69
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008281354	0	44	-1.0	-47.15	334.68	4.93	-42.22
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281355	0	44	-1.0	-45.06	343.61	5.67	-39.39
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008281356	0	37	-1.0	-48.63	296.51	3.69	-44.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C)C(C)(C)C)=C1C	REAL300008281357	0	46	-1.0	-56.54	337.14	6.05	-50.49
CC1=CC=CC(S(=O)(=O)NC(C)(C)C(C)(C)C)=C1C(=O)[O-]	REAL300008281358	0	43	-1.0	-53.23	317.94	5.67	-47.56
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C)C(C)(C)C)=C1	REAL300008281359	0	47	-1.0	-53.80	359.48	4.35	-49.45
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008281360	0	37	-1.0	-50.18	294.76	3.70	-46.48
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008281361	0	43	-1.0	-42.69	333.58	6.66	-36.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281362	0	43	-1.0	-48.37	314.57	5.35	-43.02
CC(C)(C)C(C)(C)NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008281363	0	43	-1.0	-50.71	327.57	6.88	-43.83
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008281364	0	43	-1.0	-47.84	326.06	5.41	-42.43
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C1[N+](=O)[O-]	REAL300008281365	0	45	-1.0	-41.42	344.45	5.75	-35.67
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008281366	0	43	-1.0	-50.48	327.18	5.51	-44.97
CC1=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C(C(=O)[O-])O1	REAL300008281367	0	40	-1.0	-51.85	307.86	3.84	-48.01
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008281368	0	39	-1.0	-45.40	299.64	2.76	-42.64
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008281369	0	36	-1.0	-51.38	282.59	2.98	-48.40
CC(C)(C)C(C)(C)NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008281370	0	36	-1.0	-55.31	285.90	2.32	-52.99
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008281371	0	39	-1.0	-53.17	288.67	3.68	-49.49
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008281372	0	39	-1.0	-49.65	299.25	2.84	-46.81
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008281373	0	40	-1.0	-45.93	321.08	5.13	-40.80
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008281374	0	40	-1.0	-45.97	325.63	5.24	-40.73
COC1=CC=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C1C(=O)[O-]	REAL300008281375	0	44	-1.0	-57.39	330.92	4.71	-52.68
CC1=CC(S(=O)(=O)NC(C)(C)C(C)(C)C)=CC=C1C(=O)[O-]	REAL300008281376	0	43	-1.0	-47.03	319.29	5.17	-41.86
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008281377	0	45	-1.0	-51.25	337.69	5.16	-46.09
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C)C(C)(C)C)=C1	REAL300008281378	0	47	-1.0	-53.80	359.48	4.35	-49.45
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008281379	0	40	-1.0	-45.93	321.08	5.13	-40.80
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281380	0	40	-1.0	-49.05	300.91	5.19	-43.86
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281381	0	43	-1.0	-49.64	335.02	5.99	-43.65
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C21	REAL300008281382	0	46	-1.0	-50.02	350.64	5.99	-44.03
CC(C)(C)C(C)(C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008281383	0	43	-1.0	-56.32	327.91	5.47	-50.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281384	0	44	-1.0	-53.87	333.85	4.40	-49.47
CC1=CC=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C1C(=O)[O-]	REAL300008281385	0	43	-1.0	-50.51	320.47	5.18	-45.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281386	0	43	-1.0	-55.06	320.82	5.57	-49.49
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281387	0	44	-1.0	-45.18	338.86	4.73	-40.45
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008281388	0	43	-1.0	-50.48	327.18	5.51	-44.97
COC1=C(S(=O)(=O)NC(C)(C)C(C)(C)C)SC(C(=O)[O-])=C1	REAL300008281389	0	41	-1.0	-47.47	323.15	3.06	-44.41
CC1=C(Br)C=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C1C(=O)[O-]	REAL300008281390	0	43	-1.0	-47.78	341.16	5.74	-42.04
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008281391	0	45	-1.0	-48.38	341.30	5.32	-43.06
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008281392	0	43	-1.0	-46.42	333.15	5.44	-40.98
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008281393	0	47	-1.0	-48.67	348.36	6.46	-42.21
CCC1=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C(C(=O)[O-])O1	REAL300008281394	0	43	-1.0	-51.47	329.84	4.67	-46.80
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008281395	0	42	-1.0	-44.57	321.24	6.13	-38.44
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008281396	0	43	-1.0	-49.78	341.54	6.14	-43.64
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008281397	0	42	-1.0	-39.27	321.24	6.13	-33.14
CC1=NC=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C1C(=O)[O-]	REAL300008281398	0	42	-1.0	-46.14	315.70	3.34	-42.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281399	0	44	-1.0	-47.44	333.65	4.44	-43.00
COC1=CC(S(=O)(=O)NC(C)(C)C(C)(C)C)=CC=C1C(=O)[O-]	REAL300008281400	0	44	-1.0	-52.93	331.41	4.71	-48.22
COC1=CC=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C(CC(=O)[O-])=C1	REAL300008281401	0	47	-1.0	-57.84	346.16	5.18	-52.66
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008281402	0	43	-1.0	-47.63	331.17	5.46	-42.17
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008281403	0	43	-1.0	-45.95	343.05	5.63	-40.32
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008281404	0	49	-1.0	-48.70	356.73	6.29	-42.41
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281405	0	40	-1.0	-49.46	297.10	3.20	-46.26
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008281406	0	46	-1.0	-49.52	341.00	6.93	-42.59
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(C)(C)C(C)(C)C)=C1	REAL300008281407	0	40	-1.0	-49.57	307.38	3.86	-45.71
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008281408	0	40	-1.0	-44.09	314.25	6.09	-38.00
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008281409	0	40	-1.0	-49.69	315.54	5.01	-44.68
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(C)(C)C(C)(C)C)=C1	REAL300008281410	0	44	-1.0	-48.94	324.27	4.97	-43.97
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC(C)(C)C(C)(C)C)=C1OC	REAL300008281411	0	52	-1.0	-49.01	392.70	5.89	-43.12
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281412	0	40	-1.0	-49.46	297.10	3.20	-46.26
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008281413	0	42	-2.0	-135.67	330.42	5.58	-130.09
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281414	0	47	-1.0	-52.80	351.15	4.83	-47.97
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008281415	0	39	-1.0	-49.43	299.74	3.29	-46.14
CC(C)(C)C(C)(C)NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008281416	0	43	-1.0	-56.82	317.43	5.88	-50.94
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008281417	0	37	-1.0	-45.24	304.41	3.55	-41.69
CC(C)(C)C(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008281417	1	36	-2.0	-94.06	309.54	3.57	-90.49
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008281418	0	46	-1.0	-49.67	340.44	6.93	-42.74
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281419	0	47	-1.0	-53.56	355.68	5.33	-48.23
COC1=CC=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C(C(=O)[O-])=C1	REAL300008281420	0	44	-1.0	-51.41	322.48	4.77	-46.64
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008281421	0	39	-1.0	-53.12	300.34	2.83	-50.29
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(C)(C)C	REAL300008281422	0	40	-1.0	-53.24	305.99	2.41	-50.83
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008281423	0	46	-1.0	-50.77	349.33	6.92	-43.85
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)(C)C(C)(C)C)S1	REAL300008281424	0	40	-1.0	-49.28	313.88	4.27	-45.01
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008281425	0	46	-1.0	-53.41	339.60	7.83	-45.58
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008281426	0	43	-1.0	-45.38	327.21	6.23	-39.15
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008281427	0	43	-1.0	-56.94	316.84	5.78	-51.16
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008281428	0	40	-1.0	-47.51	333.35	5.21	-42.30
CC(C)(C)C(C)(C)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008281429	0	43	-1.0	-60.66	331.28	3.73	-56.93
CC(C)(C)C(C)(C)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008281430	0	43	-1.0	-44.10	332.78	6.39	-37.71
CC(C)(C)C(C)(C)NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008281431	0	45	-1.0	-50.56	303.48	4.65	-45.91
CC(C)(C)C(C)(C)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008281432	0	37	-1.0	-42.34	306.07	5.19	-37.15
CC1=CC(S(=O)(=O)NC(C)(C)C(C)(C)C)=CN=C1C(=O)[O-]	REAL300008281433	0	42	-1.0	-49.51	314.87	3.22	-46.29
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008281434	0	43	-1.0	-56.94	316.84	5.78	-51.16
CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(C)(C)C)C=C1C(=O)[O-]	REAL300008281435	0	47	-1.0	-57.91	352.18	5.61	-52.30
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008281436	0	47	-1.0	-47.89	349.91	6.53	-41.36
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008281437	0	39	-1.0	-44.36	288.44	3.62	-40.74
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008281438	0	45	-1.0	-53.84	345.48	5.04	-48.80
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C1	REAL300008281439	0	42	-1.0	-47.88	360.15	6.85	-41.03
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281440	0	42	-1.0	-52.81	360.32	6.82	-45.99
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281441	0	45	-1.0	-55.08	375.08	7.75	-47.33
CC1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C1C(=O)[O-]	REAL300008281442	0	45	-1.0	-52.32	376.37	7.38	-44.94
O=C([O-])C1=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=CS1	REAL300008281443	0	39	-1.0	-46.94	343.36	6.60	-40.34
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281444	0	42	-1.0	-52.81	360.32	6.82	-45.99
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C1	REAL300008281445	0	42	-1.0	-47.88	360.15	6.85	-41.03
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281446	0	42	-1.0	-50.29	349.53	7.68	-42.61
O=C([O-])C1=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=CN1	REAL300008281447	0	40	-1.0	-49.51	348.82	4.54	-44.97
O=C([O-])CN1C=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=N1	REAL300008281448	0	42	-1.0	-51.03	364.75	4.97	-46.06
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)S1	REAL300008281449	0	39	-1.0	-46.22	352.57	5.95	-40.27
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281450	0	39	-1.0	-51.94	336.42	3.86	-48.08
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281450	1	38	-2.0	-124.00	336.72	3.66	-120.34
O=C([O-])C1CCCN(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C1	REAL300008281451	0	47	-1.0	-47.58	375.43	5.86	-41.72
O=C([O-])C1CCN(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)CC1	REAL300008281452	0	47	-1.0	-45.62	376.61	6.07	-39.55
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281453	0	42	-1.0	-50.29	349.53	7.68	-42.61
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)O1	REAL300008281454	0	39	-1.0	-48.04	344.92	5.20	-42.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)O1	REAL300008281454	1	38	-2.0	-102.04	344.11	5.06	-96.98
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)O1	REAL300008281455	0	42	-1.0	-48.44	363.29	5.65	-42.79
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)O1	REAL300008281455	1	41	-2.0	-102.17	362.35	5.54	-96.63
O=C([O-])CCCS(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281456	0	41	-1.0	-53.23	346.32	5.45	-47.78
O=C([O-])C1CCCN1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281457	0	44	-1.0	-59.50	360.78	5.98	-53.52
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C1	REAL300008281458	0	45	-1.0	-59.92	384.09	7.54	-52.38
O=C([O-])C1CCN(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)CC1	REAL300008281459	0	47	-1.0	-45.62	376.61	6.07	-39.55
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281460	0	45	-1.0	-60.95	384.10	7.53	-53.42
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)O1	REAL300008281461	0	39	-1.0	-48.04	344.92	5.20	-42.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)O1	REAL300008281461	1	38	-2.0	-102.04	344.11	5.06	-96.98
O=C([O-])CCCS(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281462	0	41	-1.0	-53.23	346.32	5.45	-47.78
O=C([O-])C1=CSC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281463	0	39	-1.0	-49.01	353.48	5.87	-43.14
CC1=CC=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1C(=O)[O-]	REAL300008281464	0	45	-1.0	-54.06	377.01	7.92	-46.14
O=C([O-])C1=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=CS1	REAL300008281465	0	39	-1.0	-50.95	351.98	5.84	-45.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281466	0	45	-1.0	-47.89	369.49	7.61	-40.28
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C1	REAL300008281467	0	45	-1.0	-48.67	382.33	7.62	-41.05
O=C([O-])C1=COC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281468	0	39	-1.0	-48.05	345.16	4.95	-43.10
O=C([O-])C1=COC(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281468	1	38	-2.0	-100.02	344.36	4.80	-95.22
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281469	0	45	-1.0	-51.99	382.48	7.59	-44.40
CC1=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C(C(=O)[O-])O1	REAL300008281470	0	42	-1.0	-52.01	364.37	5.93	-46.08
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281471	0	41	-1.0	-46.38	355.48	5.01	-41.37
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281472	0	38	-1.0	-51.76	337.67	5.25	-46.51
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281472	1	37	-2.0	-122.79	338.07	4.98	-117.81
O=C([O-])C1=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)SC=N1	REAL300008281473	0	38	-1.0	-62.97	340.62	4.55	-58.42
O=C([O-])C1=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)SC=N1	REAL300008281473	1	37	-2.0	-124.46	340.93	4.41	-120.05
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281474	0	41	-1.0	-53.68	346.17	6.00	-47.68
O=C([O-])CCCCCS(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281475	0	47	-1.0	-54.97	389.31	7.01	-47.96
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=N1	REAL300008281476	0	41	-1.0	-49.67	356.03	5.05	-44.62
CC1=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=CC=C1C(=O)[O-]	REAL300008281477	0	45	-1.0	-47.10	376.30	7.36	-39.74
CN(CCC(=O)[O-])S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281478	0	43	-1.0	-48.98	359.73	5.04	-43.94
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281479	0	42	-1.0	-50.73	360.52	7.59	-43.14
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C1	REAL300008281480	0	45	-1.0	-59.92	384.09	7.54	-52.38
CC1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C1C(=O)[O-]	REAL300008281481	0	45	-1.0	-52.32	376.37	7.38	-44.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281482	0	45	-1.0	-55.08	375.08	7.75	-47.33
O=C([O-])CC1(CS(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)CC1	REAL300008281483	0	45	-1.0	-47.78	367.20	6.70	-41.08
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281484	0	45	-1.0	-51.99	382.48	7.59	-44.40
CCC1=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C(C(=O)[O-])O1	REAL300008281485	0	45	-1.0	-50.48	381.54	6.69	-43.79
CC1=NC=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C=C1C(=O)[O-]	REAL300008281486	0	44	-1.0	-44.70	372.45	5.55	-39.15
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281487	0	42	-1.0	-50.09	352.05	5.18	-44.91
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281488	0	42	-1.0	-48.74	363.03	5.77	-42.97
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281488	1	41	-2.0	-104.38	362.08	5.66	-98.72
O=C([O-])C1=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)OC=C1	REAL300008281489	0	39	-1.0	-53.30	337.53	5.67	-47.63
O=C([O-])C1=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)OC=C1	REAL300008281489	1	38	-2.0	-122.85	337.81	5.47	-117.38
O=C([O-])C1(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)CCC1	REAL300008281490	0	42	-1.0	-43.20	344.98	6.04	-37.16
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281491	0	39	-1.0	-51.94	336.42	3.86	-48.08
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281491	1	38	-2.0	-124.00	336.72	3.66	-120.34
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281492	0	42	-1.0	-50.09	352.05	5.18	-44.91
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281493	0	41	-1.0	-47.22	356.38	4.95	-42.27
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281494	0	45	-1.0	-57.82	373.82	7.98	-49.84
O=C([O-])C1=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=CC=N1	REAL300008281495	0	41	-1.0	-54.67	356.38	5.02	-49.65
O=C([O-])C1=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=NN1	REAL300008281496	0	39	-1.0	-42.65	343.48	3.23	-39.42
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281497	0	42	-1.0	-52.88	362.09	4.59	-48.29
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C1	REAL300008281498	0	42	-1.0	-53.14	348.83	5.86	-47.28
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)C1	REAL300008281499	0	45	-1.0	-56.37	367.20	6.56	-49.81
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)S1	REAL300008281500	0	42	-1.0	-49.03	371.44	6.56	-42.47
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281501	0	45	-1.0	-58.80	369.86	7.88	-50.92
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281502	0	42	-1.0	-55.34	356.97	6.15	-49.19
O=C([O-])C1CCCCN1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281503	0	47	-1.0	-49.43	359.95	6.56	-42.87
O=C([O-])C1=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=NN1	REAL300008281504	0	39	-1.0	-42.65	343.48	3.23	-39.42
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281505	0	44	-1.0	-45.95	362.27	5.56	-40.39
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281506	0	39	-1.0	-51.94	336.42	3.86	-48.08
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281506	1	38	-2.0	-124.00	336.72	3.66	-120.34
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281507	0	42	-1.0	-59.99	340.53	6.58	-53.41
CC1=CC(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=CN=C1C(=O)[O-]	REAL300008281508	0	44	-1.0	-50.32	372.92	5.60	-44.72
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281509	0	45	-1.0	-58.80	369.86	7.88	-50.92
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281510	0	41	-1.0	-44.53	345.12	5.90	-38.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281511	0	39	-1.0	-57.14	314.34	6.81	-50.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281512	0	40	-1.0	-55.67	330.86	6.24	-49.43
CC1=CC=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C=C1C(=O)[O-]	REAL300008281513	0	39	-1.0	-51.04	324.72	6.89	-44.15
CN(C1CC2(CC2)C1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008281514	0	33	-1.0	-61.31	294.16	6.08	-55.23
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008281515	0	33	-1.0	-46.77	300.96	5.48	-41.29
CN(C1CC2(CC2)C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008281516	0	41	-1.0	-48.65	327.27	5.51	-43.14
CN(C1CC2(CC2)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008281517	0	41	-1.0	-46.34	327.66	5.55	-40.79
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008281518	0	36	-1.0	-58.01	317.57	8.04	-49.97
CN(C1CC2(CC2)C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008281519	0	39	-1.0	-56.43	332.50	7.10	-49.33
CN(C1CC2(CC2)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008281520	0	41	-1.0	-46.34	327.66	5.55	-40.79
CN(C1CC2(CC2)C1)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008281521	0	39	-1.0	-59.04	331.93	7.11	-51.93
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008281522	0	40	-1.0	-47.30	334.70	6.42	-40.88
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281523	0	40	-1.0	-44.20	338.06	7.08	-37.12
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008281524	0	33	-1.0	-49.70	301.89	5.38	-44.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2CC3(CC3)C2)=C1C	REAL300008281525	0	42	-1.0	-50.24	342.83	7.85	-42.39
CC1=CC=CC(S(=O)(=O)N(C)C2CC3(CC3)C2)=C1C(=O)[O-]	REAL300008281526	0	39	-1.0	-53.23	316.65	7.38	-45.85
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2CC3(CC3)C2)=C1	REAL300008281527	0	43	-1.0	-52.62	363.77	6.08	-46.54
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008281528	0	33	-1.0	-50.31	295.33	5.19	-45.12
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008281529	0	39	-1.0	-55.80	338.94	8.42	-47.38
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281530	0	39	-1.0	-48.91	308.76	6.54	-42.37
CN(C1CC2(CC2)C1)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008281531	0	39	-1.0	-52.68	329.92	8.40	-44.28
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008281532	0	39	-1.0	-48.38	330.36	7.16	-41.22
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C=C1[N+](=O)[O-]	REAL300008281533	0	41	-1.0	-41.40	346.98	7.38	-34.02
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008281534	0	39	-1.0	-51.10	325.84	6.91	-44.19
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008281535	0	32	-1.0	-65.29	289.46	4.53	-60.76
CN(C1CC2(CC2)C1)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008281536	0	32	-1.0	-55.33	278.66	3.61	-51.72
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008281537	0	36	-1.0	-47.80	325.43	6.88	-40.92
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008281538	0	36	-1.0	-47.81	330.00	6.99	-40.82
COC1=CC=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C=C1C(=O)[O-]	REAL300008281539	0	40	-1.0	-57.15	335.99	6.43	-50.72
CC1=CC(S(=O)(=O)N(C)C2CC3(CC3)C2)=CC=C1C(=O)[O-]	REAL300008281540	0	39	-1.0	-47.39	324.18	6.92	-40.47
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008281541	0	41	-1.0	-55.85	341.97	7.01	-48.84
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2CC3(CC3)C2)=C1	REAL300008281542	0	43	-1.0	-52.62	363.77	6.08	-46.54
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008281543	0	36	-1.0	-47.80	325.43	6.88	-40.92
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281544	0	36	-1.0	-51.19	294.81	6.25	-44.94
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281545	0	39	-1.0	-49.80	324.26	6.87	-42.93
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N(C)C3CC4(CC4)C3)C=C21	REAL300008281546	0	42	-1.0	-50.52	355.65	7.71	-42.81
CN(C1CC2(CC2)C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008281547	0	39	-1.0	-56.43	332.50	7.10	-49.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281548	0	40	-1.0	-55.67	330.86	6.24	-49.43
CC1=CC=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C=C1C(=O)[O-]	REAL300008281549	0	39	-1.0	-51.04	324.72	6.89	-44.15
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281550	0	39	-1.0	-57.14	314.34	6.81	-50.33
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281551	0	40	-1.0	-45.35	333.31	6.22	-39.13
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008281552	0	39	-1.0	-51.10	325.84	6.91	-44.19
COC1=C(S(=O)(=O)N(C)C2CC3(CC3)C2)SC(C(=O)[O-])=C1	REAL300008281553	0	37	-1.0	-47.27	330.68	4.91	-42.36
CC1=C(Br)C=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C=C1C(=O)[O-]	REAL300008281554	0	39	-1.0	-45.40	342.59	7.43	-37.97
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008281555	0	41	-1.0	-48.76	345.52	7.04	-41.72
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008281556	0	39	-1.0	-46.44	338.81	7.18	-39.26
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008281557	0	43	-1.0	-51.89	349.76	8.02	-43.87
CCC1=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C=C(C(=O)[O-])O1	REAL300008281558	0	39	-1.0	-51.34	324.85	5.86	-45.48
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008281559	0	38	-1.0	-59.53	322.90	7.80	-51.73
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008281560	0	39	-1.0	-49.75	346.58	7.86	-41.89
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008281561	0	38	-1.0	-50.88	329.03	8.20	-42.68
CC1=NC=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C=C1C(=O)[O-]	REAL300008281562	0	38	-1.0	-45.27	320.16	5.07	-40.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281563	0	40	-1.0	-47.81	326.75	5.95	-41.86
COC1=CC(S(=O)(=O)N(C)C2CC3(CC3)C2)=CC=C1C(=O)[O-]	REAL300008281564	0	40	-1.0	-53.39	335.97	6.44	-46.95
COC1=CC=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C(CC(=O)[O-])=C1	REAL300008281565	0	43	-1.0	-63.43	346.37	6.45	-56.98
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008281566	0	39	-1.0	-50.13	336.33	7.18	-42.95
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008281567	0	39	-1.0	-44.93	347.75	7.37	-37.56
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008281568	0	45	-1.0	-49.07	361.34	8.01	-41.06
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008281569	0	42	-1.0	-49.94	336.80	8.08	-41.86
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008281570	0	36	-1.0	-57.99	322.13	8.15	-49.84
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008281571	0	36	-1.0	-49.40	321.22	6.75	-42.65
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)C2CC3(CC3)C2)=C1	REAL300008281572	0	40	-1.0	-62.80	330.23	6.85	-55.95
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N(C)C2CC3(CC3)C2)=C1OC	REAL300008281573	0	48	-1.0	-49.35	387.80	7.26	-42.09
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008281574	0	38	-2.0	-134.35	335.57	7.32	-127.03
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281575	0	43	-1.0	-47.65	356.95	6.61	-41.04
CN(C1CC2(CC2)C1)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008281576	0	39	-1.0	-54.77	321.93	7.52	-47.25
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008281577	0	33	-1.0	-45.76	308.36	5.01	-40.75
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008281578	0	42	-1.0	-51.15	337.96	8.21	-42.94
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1CC2(CC2)C1	REAL300008281579	0	43	-1.0	-55.22	352.15	7.15	-48.07
COC1=CC=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C(C(=O)[O-])=C1	REAL300008281580	0	40	-1.0	-67.03	324.13	6.44	-60.59
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008281581	0	42	-1.0	-51.03	354.08	8.63	-42.40
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)C2CC3(CC3)C2)S1	REAL300008281582	0	36	-1.0	-48.53	318.78	6.05	-42.48
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008281583	0	42	-1.0	-70.40	346.50	9.81	-60.59
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008281584	0	39	-1.0	-42.34	336.96	7.83	-34.51
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008281585	0	39	-1.0	-62.44	316.90	7.17	-55.27
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008281586	0	36	-1.0	-47.39	338.51	6.96	-40.43
CN(C1CC2(CC2)C1)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008281587	0	39	-1.0	-66.57	330.04	4.78	-61.79
CN(C1CC2(CC2)C1)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008281588	0	39	-1.0	-45.27	336.77	7.56	-37.71
CN(C1CC2(CC2)C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008281589	0	41	-1.0	-52.47	309.91	6.05	-46.42
CN(C1CC2(CC2)C1)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008281590	0	33	-1.0	-53.53	306.79	6.61	-46.92
CC1=CC(S(=O)(=O)N(C)C2CC3(CC3)C2)=CN=C1C(=O)[O-]	REAL300008281591	0	38	-1.0	-50.63	321.09	5.12	-45.51
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008281592	0	39	-1.0	-62.44	316.90	7.17	-55.27
CCOC1=CC=C(S(=O)(=O)N(C)C2CC3(CC3)C2)C=C1C(=O)[O-]	REAL300008281593	0	43	-1.0	-57.60	357.85	7.34	-50.26
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008281594	0	43	-1.0	-49.08	352.79	8.23	-40.85
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008281595	0	41	-1.0	-54.07	349.94	6.76	-47.31
O=C([O-])C1=CC(S(=O)(=O)NC(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)=CN1	REAL300008281596	0	35	-1.0	-57.59	335.97	4.15	-53.44
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281597	0	33	-2.0	-117.88	326.76	3.65	-114.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)O1	REAL300008281598	0	33	-2.0	-93.73	334.19	5.07	-88.66
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)O1	REAL300008281598	1	34	-1.0	-57.73	338.52	5.31	-52.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)O1	REAL300008281599	0	33	-2.0	-93.73	334.19	5.07	-88.66
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)O1	REAL300008281599	1	34	-1.0	-57.73	338.52	5.31	-52.42
O=C([O-])C1=COC(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)=C1	REAL300008281600	0	33	-2.0	-93.65	334.43	4.80	-88.85
O=C([O-])CCCCCS(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281601	0	41	-2.0	-91.90	387.10	6.72	-85.18
O=C([O-])CC1(CS(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)CC1	REAL300008281602	0	39	-2.0	-99.31	368.01	6.40	-92.91
O=C([O-])C1=C(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)OC=C1	REAL300008281603	0	33	-2.0	-117.64	327.86	5.46	-112.18
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281604	0	33	-2.0	-117.88	326.76	3.65	-114.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)=NN1	REAL300008281605	0	33	-2.0	-90.38	333.02	2.92	-87.46
O=C([O-])C1=CC(S(=O)(=O)NC(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)=NN1	REAL300008281605	1	34	-1.0	-50.55	336.85	3.17	-47.38
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281606	0	36	-2.0	-97.63	354.74	5.86	-91.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)=NN1	REAL300008281607	0	33	-2.0	-90.38	333.02	2.92	-87.46
O=C([O-])C1=CC(S(=O)(=O)NC(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)=NN1	REAL300008281607	1	34	-1.0	-50.55	336.85	3.17	-47.38
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281608	0	36	-2.0	-116.33	338.45	6.26	-110.07
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CN=CC=C21	REAL300008281609	0	40	-1.0	-52.05	345.54	6.07	-45.98
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281610	0	40	-1.0	-55.50	345.56	6.07	-49.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=CC2=CN=CC=C21	REAL300008281611	0	43	-1.0	-60.16	362.11	7.05	-53.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=CC2=CN=CC=C21	REAL300008281612	0	44	-1.0	-58.28	360.09	5.87	-52.41
CC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300008281613	0	43	-1.0	-56.51	361.58	6.60	-49.91
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CC2=CN=CC=C21	REAL300008281614	0	37	-1.0	-49.11	329.99	5.88	-43.23
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281615	0	40	-1.0	-55.50	345.56	6.07	-49.43
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CN=CC=C21	REAL300008281616	0	40	-1.0	-52.05	345.54	6.07	-45.98
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281617	0	40	-1.0	-52.41	335.91	6.96	-45.45
C[C@@H](NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281618	0	38	-1.0	-53.69	334.15	3.77	-49.92
C[C@@H](NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=CC2=CN=CC=C21	REAL300008281619	0	40	-1.0	-52.60	350.23	4.17	-48.43
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC2=CN=CC=C21	REAL300008281620	0	37	-1.0	-51.11	337.62	5.22	-45.89
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281621	0	37	-1.0	-54.49	322.52	3.15	-51.34
C[C@@H](NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC2=CN=CC=C21	REAL300008281622	0	45	-1.0	-52.57	368.68	5.37	-47.20
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC2=CN=CC=C21	REAL300008281623	0	45	-1.0	-55.08	364.44	5.47	-49.61
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281624	0	40	-1.0	-52.41	335.91	6.96	-45.45
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281625	0	40	-1.0	-46.20	352.71	7.49	-38.71
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC2=CN=CC=C21	REAL300008281626	0	37	-1.0	-53.69	331.35	4.53	-49.16
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)O1	REAL300008281627	0	40	-1.0	-52.45	349.55	4.97	-47.48
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281628	0	39	-1.0	-55.39	330.82	4.71	-50.68
C[C@@H](NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281629	0	42	-1.0	-62.31	344.74	5.34	-56.97
C[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CN=CC=C21	REAL300008281630	0	43	-1.0	-61.39	368.55	6.80	-54.59
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC2=CN=CC=C21	REAL300008281631	0	45	-1.0	-55.08	364.44	5.47	-49.61
C[C@@H](NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281632	0	43	-1.0	-63.48	368.59	6.79	-56.69
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC2=CN=CC=C21	REAL300008281633	0	37	-1.0	-53.69	331.35	4.53	-49.16
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC2=CN=CC=C21	REAL300008281634	0	44	-1.0	-51.95	376.64	6.35	-45.60
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281635	0	39	-1.0	-55.39	330.82	4.71	-50.68
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC2=CN=CC=C21	REAL300008281636	0	37	-1.0	-52.23	338.56	5.14	-47.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)=C1C	REAL300008281637	0	46	-1.0	-61.77	380.09	7.47	-54.30
CC1=CC=CC(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)=C1C(=O)[O-]	REAL300008281638	0	43	-1.0	-56.26	363.74	7.15	-49.11
C[C@@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281639	0	37	-1.0	-55.13	337.23	5.11	-50.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)C1=CC=CC2=CN=CC=C21	REAL300008281640	0	43	-1.0	-51.44	356.29	6.88	-44.56
C[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=CC2=CN=CC=C21	REAL300008281641	0	43	-1.0	-52.10	367.74	6.85	-45.25
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=CC2=CN=CC=C21	REAL300008281642	0	37	-1.0	-52.05	331.54	4.25	-47.80
C[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281643	0	43	-1.0	-54.60	367.73	6.84	-47.76
CC1=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)C=C(C(=O)[O-])O1	REAL300008281644	0	40	-1.0	-57.05	350.51	5.23	-51.82
C[C@@H](NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281645	0	39	-1.0	-51.05	340.69	4.28	-46.77
C[C@@H](NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281646	0	36	-1.0	-52.95	324.29	4.34	-48.61
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=CC2=CN=CC=C21	REAL300008281647	0	36	-1.0	-56.70	327.88	3.83	-52.87
C[C@@H](NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281648	0	39	-1.0	-55.59	332.93	5.18	-50.41
C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281649	0	45	-1.0	-56.83	373.82	6.27	-50.56
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CC2=CN=CC=C21	REAL300008281650	0	39	-1.0	-54.21	341.47	4.25	-49.96
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281651	0	40	-1.0	-51.40	362.29	6.57	-44.83
COC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300008281652	0	44	-1.0	-62.74	372.84	6.14	-56.60
CC1=CC(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)=CC=C1C(=O)[O-]	REAL300008281653	0	43	-1.0	-51.42	361.57	6.62	-44.80
C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281654	0	41	-1.0	-51.50	346.44	4.43	-47.07
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281655	0	40	-1.0	-51.40	362.29	6.57	-44.83
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@H](C)C1=CC=CC2=CN=CC=C21	REAL300008281656	0	40	-1.0	-56.54	343.78	6.40	-50.14
C[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CN=CC=C21	REAL300008281657	0	43	-1.0	-61.39	368.55	6.80	-54.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=CC2=CN=CC=C21	REAL300008281658	0	44	-1.0	-58.28	360.09	5.87	-52.41
CC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300008281659	0	43	-1.0	-56.51	361.58	6.60	-49.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=CC2=CN=CC=C21	REAL300008281660	0	43	-1.0	-60.16	362.11	7.05	-53.11
C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1=CC=CC2=CN=CC=C21	REAL300008281661	0	43	-1.0	-49.97	355.83	5.97	-44.00
C[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281662	0	43	-1.0	-54.60	367.73	6.84	-47.76
COC1=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)SC(C(=O)[O-])=C1	REAL300008281663	0	41	-1.0	-51.28	371.97	4.59	-46.69
C[C@@H](NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1)C1=CC=CC2=CN=CC=C21	REAL300008281664	0	45	-1.0	-53.59	382.42	6.74	-46.85
C[C@@H](NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1)C1=CC=CC2=CN=CC=C21	REAL300008281665	0	47	-1.0	-56.08	391.72	7.95	-48.13
CCC1=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)C=C(C(=O)[O-])O1	REAL300008281666	0	43	-1.0	-56.88	372.02	6.06	-50.82
CC1=NC=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)C=C1C(=O)[O-]	REAL300008281667	0	42	-1.0	-50.50	357.02	4.78	-45.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)C1=CC=CC2=CN=CC=C21	REAL300008281668	0	44	-1.0	-51.73	360.15	5.88	-45.85
COC1=CC(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)=CC=C1C(=O)[O-]	REAL300008281669	0	44	-1.0	-57.19	372.80	6.14	-51.05
C[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=CC=CC2=CN=CC=C21	REAL300008281670	0	43	-1.0	-51.88	373.16	6.89	-44.99
C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC2=CN=CC=C21	REAL300008281671	0	49	-1.0	-53.02	398.73	7.71	-45.31
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CC2=CN=CC=C21	REAL300008281672	0	40	-1.0	-55.89	336.09	4.28	-51.61
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)=C1	REAL300008281673	0	40	-1.0	-54.64	349.29	5.11	-49.53
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281674	0	40	-1.0	-55.02	358.06	6.47	-48.55
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=CC2=CN=CC=C21	REAL300008281675	0	37	-1.0	-55.52	323.78	4.99	-50.53
C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=CC=CC2=CN=CC=C21	REAL300008281676	0	40	-1.0	-47.21	332.09	5.40	-41.81
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)=C1	REAL300008281677	0	44	-1.0	-50.89	365.44	6.29	-44.60
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281678	0	37	-1.0	-54.49	322.52	3.15	-51.34
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CC2=CN=CC=C21	REAL300008281679	0	40	-1.0	-55.89	336.09	4.28	-51.61
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC2=CN=CC=C21	REAL300008281680	0	39	-1.0	-52.20	346.21	4.25	-47.95
C[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281681	0	43	-1.0	-58.49	358.55	7.23	-51.26
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC2=CN=CC=C21	REAL300008281682	0	37	-1.0	-49.01	346.20	4.80	-44.21
COC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)C(C(=O)[O-])=C1	REAL300008281683	0	44	-1.0	-53.15	365.48	6.26	-46.89
C[C@@H](NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281684	0	39	-1.0	-57.51	341.64	4.30	-53.21
C[C@@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281685	0	37	-1.0	-47.02	329.18	2.30	-44.72
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=CC2=CN=CC=C21	REAL300008281686	0	40	-1.0	-58.29	347.15	3.80	-54.49
C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC2=CN=CC=C21	REAL300008281687	0	40	-1.0	-56.05	334.13	5.19	-50.86
C[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC2=CN=CC=C21	REAL300008281688	0	43	-1.0	-57.90	349.77	5.68	-52.22
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)S1	REAL300008281689	0	40	-1.0	-52.39	356.69	5.83	-46.56
C[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281690	0	43	-1.0	-59.26	359.49	7.31	-51.95
C[C@@H](NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1=CC=CC2=CN=CC=C21	REAL300008281691	0	43	-1.0	-66.10	378.10	4.73	-61.37
C[C@@H](NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1=CC=CC2=CN=CC=C21	REAL300008281692	0	43	-1.0	-48.36	372.21	7.24	-41.12
C[C@@H](NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281693	0	40	-1.0	-57.89	341.42	5.42	-52.47
C[C@@H](NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281694	0	45	-1.0	-57.68	350.45	6.21	-51.47
C[C@@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC2=CN=CC=C21	REAL300008281695	0	37	-1.0	-47.02	329.18	2.30	-44.72
C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281696	0	42	-1.0	-48.59	338.89	4.65	-43.94
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281697	0	37	-1.0	-54.49	322.52	3.15	-51.34
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1=CC=CC2=CN=CC=C21	REAL300008281698	0	37	-1.0	-44.12	346.75	6.51	-37.61
C[C@@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281699	0	40	-1.0	-60.69	324.61	5.80	-54.89
CC1=CC(S(=O)(=O)N[C@H](C)C2=CC=CC3=CN=CC=C32)=CN=C1C(=O)[O-]	REAL300008281700	0	42	-1.0	-54.31	358.22	4.82	-49.49
C[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281701	0	43	-1.0	-59.26	359.49	7.31	-51.95
C[C@@H](NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1=CC=CC2=CN=CC=C21	REAL300008281702	0	47	-1.0	-52.66	389.65	7.94	-44.72
C[C@@H](NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300008281703	0	39	-1.0	-46.50	330.67	5.14	-41.36
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281704	0	37	-1.0	-62.42	315.59	4.89	-57.53
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281705	0	44	-1.0	-56.48	354.11	6.97	-49.51
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)S1	REAL300008281706	0	29	-1.0	-49.74	284.09	4.13	-45.61
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281707	0	39	-1.0	-59.33	309.81	4.79	-54.54
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281708	0	35	-1.0	-54.48	311.40	5.94	-48.54
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008281709	0	36	-1.0	-54.63	303.27	4.51	-50.12
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281710	0	38	-1.0	-61.57	336.52	1.86	-59.71
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008281711	0	36	-1.0	-51.25	321.09	4.30	-46.95
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300008281712	0	43	-1.0	-55.40	349.19	4.42	-50.98
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281713	0	35	-1.0	-52.14	306.82	5.82	-46.32
CN(C1CCCCC1)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281714	0	43	-1.0	-55.31	331.66	4.93	-50.38
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281715	0	38	-1.0	-57.17	307.46	3.27	-53.90
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008281716	0	48	-1.0	-56.08	377.28	8.19	-47.89
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008281717	0	38	-1.0	-53.13	318.44	3.76	-49.37
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1Br	REAL300008281718	0	32	-1.0	-45.75	282.97	4.89	-40.86
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008281719	0	32	-1.0	-52.53	296.39	5.13	-47.40
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281720	0	37	-1.0	-64.36	307.66	6.85	-57.51
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008281721	0	38	-1.0	-56.61	336.40	6.47	-50.14
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281722	0	42	-1.0	-72.01	359.63	0.87	-71.14
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281723	0	43	-1.0	-54.34	357.72	6.34	-48.00
CC1=CC(F)=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281724	0	35	-1.0	-51.74	303.13	5.23	-46.51
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008281725	0	38	-1.0	-53.94	320.78	5.00	-48.94
COCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281726	0	39	-1.0	-57.68	330.89	4.07	-53.61
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=N1	REAL300008281727	0	38	-1.0	-49.89	324.15	2.13	-47.76
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281728	0	41	-1.0	-66.72	360.15	2.72	-64.00
CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281729	0	37	-1.0	-72.43	324.13	0.51	-71.92
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300008281730	0	42	-1.0	-55.20	336.02	5.14	-50.06
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008281731	0	37	-1.0	-58.12	331.49	5.24	-52.88
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008281732	0	35	-1.0	-56.36	318.94	5.92	-50.44
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008281733	0	37	-1.0	-54.06	316.07	4.90	-49.16
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CC1	REAL300008281734	0	42	-1.0	-63.05	344.17	0.09	-62.96
CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281735	0	41	-1.0	-56.69	320.54	2.34	-54.35
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008281736	0	41	-1.0	-50.32	343.62	5.62	-44.70
CCN1N=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008281737	0	41	-1.0	-52.25	332.25	4.52	-47.73
CC(C)N1C=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=N1	REAL300008281738	0	38	-1.0	-56.38	320.76	3.49	-52.89
CC(C)CN1C=NC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281739	0	41	-1.0	-57.97	333.65	5.98	-51.99
CC(C)N1C=NC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281740	0	38	-1.0	-57.59	314.56	5.39	-52.20
CC(C)C1=NC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CN1	REAL300008281741	0	38	-1.0	-62.24	319.74	2.83	-59.41
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281742	0	44	-1.0	-58.53	324.21	7.04	-51.49
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008281743	0	45	-1.0	-58.71	378.32	7.57	-51.14
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281744	0	40	-1.0	-64.33	341.60	3.92	-60.41
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300008281745	0	40	-1.0	-44.97	340.13	3.98	-40.99
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300008281746	0	35	-1.0	-51.88	314.63	5.70	-46.18
CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281747	0	35	-1.0	-51.47	293.01	5.21	-46.26
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008281748	0	38	-1.0	-51.98	329.50	7.39	-44.59
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008281749	0	37	-1.0	-51.02	325.25	6.51	-44.51
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008281750	0	36	-1.0	-51.27	319.49	4.26	-47.01
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008281751	0	39	-1.0	-55.60	331.30	6.27	-49.33
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281752	0	47	-1.0	-56.71	369.04	5.67	-51.04
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008281753	0	35	-1.0	-57.21	309.99	5.27	-51.94
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281754	0	43	-1.0	-60.35	342.65	3.79	-56.56
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008285001	0	42	-1.0	-65.80	339.34	4.65	-61.15
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008285002	0	43	-1.0	-63.03	359.70	6.18	-56.85
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008285003	0	45	-1.0	-49.00	353.27	4.74	-44.26
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008285004	0	43	-1.0	-68.32	361.10	6.41	-61.91
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008285005	0	37	-1.0	-59.07	326.17	3.95	-55.12
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008285006	0	44	-1.0	-52.81	371.74	6.15	-46.66
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)CCCC(=O)[O-]	REAL300008285007	0	39	-1.0	-58.44	321.91	4.07	-54.37
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008285008	0	37	-1.0	-57.95	333.81	4.70	-53.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)=C1C	REAL300008285009	0	46	-1.0	-66.11	363.55	7.19	-58.92
CC1=CC=CC(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)=C1C(=O)[O-]	REAL300008285010	0	43	-1.0	-61.33	344.67	6.42	-54.91
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)=C1	REAL300008285011	0	47	-1.0	-62.85	394.20	5.43	-57.42
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008285012	0	37	-1.0	-52.62	330.72	4.76	-47.86
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285013	0	43	-1.0	-55.11	340.97	6.49	-48.62
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008285014	0	43	-1.0	-54.54	360.21	6.48	-48.06
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008285015	0	37	-1.0	-55.49	326.39	3.68	-51.81
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008285016	0	43	-1.0	-60.23	361.30	6.48	-53.75
CC1=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)C=C(C(=O)[O-])O1	REAL300008285017	0	40	-1.0	-62.38	341.71	4.59	-57.79
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008285018	0	39	-1.0	-54.84	334.29	3.90	-50.94
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008285019	0	36	-1.0	-54.20	311.63	3.79	-50.41
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008285020	0	36	-1.0	-74.19	323.98	3.92	-70.27
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008285021	0	39	-1.0	-78.65	327.96	4.91	-73.74
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)CCCCCC(=O)[O-]	REAL300008285022	0	45	-1.0	-58.87	364.91	5.64	-53.23
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008285023	0	39	-1.0	-52.97	334.99	3.91	-49.06
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008285024	0	40	-1.0	-50.77	357.40	6.38	-44.39
COC1=CC=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)C=C1C(=O)[O-]	REAL300008285025	0	44	-1.0	-67.14	366.40	5.78	-61.36
CC1=CC(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)=CC=C1C(=O)[O-]	REAL300008285026	0	43	-1.0	-51.83	354.95	6.23	-45.60
CN(CCC(=O)[O-])S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285027	0	41	-1.0	-52.80	338.48	3.98	-48.82
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008285028	0	45	-1.0	-56.92	368.65	5.70	-51.22
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)=C1	REAL300008285029	0	47	-1.0	-62.85	394.20	5.43	-57.42
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008285030	0	40	-1.0	-50.77	357.40	6.38	-44.39
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285031	0	40	-1.0	-51.88	330.69	6.12	-45.76
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285032	0	43	-1.0	-58.88	360.50	7.08	-51.80
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008285033	0	43	-1.0	-63.03	359.70	6.18	-56.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285034	0	44	-1.0	-65.47	363.64	5.30	-60.17
CC1=CC=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)C=C1C(=O)[O-]	REAL300008285035	0	43	-1.0	-60.78	355.33	6.23	-54.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285036	0	43	-1.0	-61.42	341.92	6.38	-55.04
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285037	0	44	-1.0	-55.30	347.19	5.41	-49.89
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008285038	0	43	-1.0	-57.66	348.19	5.37	-52.29
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008285039	0	43	-1.0	-60.23	361.30	6.48	-53.75
COC1=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)SC(C(=O)[O-])=C1	REAL300008285040	0	41	-1.0	-49.85	359.34	4.89	-44.96
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008285041	0	45	-1.0	-54.53	375.95	6.38	-48.15
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008285042	0	47	-1.0	-54.98	384.25	7.56	-47.42
CCC1=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)C=C(C(=O)[O-])O1	REAL300008285043	0	43	-1.0	-60.79	348.96	5.67	-55.12
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008285044	0	42	-1.0	-69.82	359.72	7.36	-62.46
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008285045	0	42	-1.0	-59.85	358.43	7.20	-52.65
CC1=NC=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)C=C1C(=O)[O-]	REAL300008285046	0	42	-1.0	-54.27	350.61	4.40	-49.87
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285047	0	44	-1.0	-53.89	362.54	5.99	-47.90
COC1=CC(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)=CC=C1C(=O)[O-]	REAL300008285048	0	44	-1.0	-59.51	365.47	5.49	-54.02
COC1=CC=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)C(CC(=O)[O-])=C1	REAL300008285049	0	47	-1.0	-52.23	376.47	5.47	-46.76
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008285050	0	43	-1.0	-56.40	368.33	6.47	-49.93
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008285051	0	49	-1.0	-54.17	391.19	7.33	-46.84
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008285052	0	40	-1.0	-54.56	327.35	4.27	-50.29
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008285053	0	46	-1.0	-56.48	368.09	7.35	-49.13
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)=C1	REAL300008285054	0	40	-1.0	-53.16	342.76	4.65	-48.51
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008285055	0	40	-1.0	-59.09	351.63	6.11	-52.98
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008285056	0	37	-1.0	-70.08	318.68	4.31	-65.77
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008285057	0	40	-1.0	-44.97	308.48	4.54	-40.43
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)=C1	REAL300008285058	0	44	-1.0	-52.21	349.81	5.56	-46.65
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008285059	0	37	-1.0	-67.95	317.63	2.49	-65.46
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008285060	0	40	-1.0	-54.56	327.35	4.27	-50.29
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008285061	0	42	-2.0	-145.33	365.61	6.66	-138.67
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285062	0	47	-1.0	-58.73	370.42	5.74	-52.99
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008285063	0	39	-1.0	-59.63	337.21	3.65	-55.98
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008285064	0	43	-1.0	-62.74	351.39	7.13	-55.61
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008285065	0	37	-1.0	-52.45	340.28	4.34	-48.11
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008285066	0	46	-1.0	-57.11	368.93	7.83	-49.28
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C1=CC=NN1C)C2	REAL300008285067	0	47	-1.0	-65.19	385.11	6.21	-58.98
COC1=CC=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)C(C(=O)[O-])=C1	REAL300008285068	0	44	-1.0	-77.35	361.17	5.97	-71.38
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008285069	0	39	-1.0	-54.56	336.77	3.89	-50.67
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008285070	0	37	-1.0	-50.58	324.74	1.86	-48.72
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008285071	0	40	-1.0	-59.73	343.11	3.27	-56.46
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008285072	0	46	-1.0	-53.72	384.99	7.97	-45.75
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008285073	0	40	-1.0	-61.35	324.47	4.71	-56.64
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008285074	0	43	-1.0	-60.82	346.90	5.15	-55.67
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)S1	REAL300008285075	0	40	-1.0	-57.71	349.08	5.41	-52.30
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008285076	0	46	-1.0	-56.78	365.93	8.51	-48.27
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008285077	0	43	-1.0	-49.91	346.08	6.19	-43.72
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008285078	0	43	-1.0	-66.72	363.96	4.48	-62.24
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008285079	0	43	-1.0	-49.96	364.00	7.09	-42.87
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008285080	0	40	-1.0	-60.45	337.71	5.47	-54.98
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008285081	0	45	-1.0	-51.12	339.53	5.10	-46.02
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008285082	0	37	-1.0	-50.58	324.74	1.86	-48.72
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008285083	0	42	-1.0	-48.64	328.05	4.06	-44.58
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008285084	0	37	-1.0	-67.95	317.63	2.49	-65.46
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008285085	0	37	-1.0	-45.74	335.43	5.65	-40.09
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008285086	0	40	-1.0	-66.41	317.38	5.18	-61.23
CC1=CC(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)=CN=C1C(=O)[O-]	REAL300008285087	0	42	-1.0	-52.56	351.70	4.45	-48.11
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008285088	0	43	-1.0	-49.91	346.08	6.19	-43.72
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C2=CC=NN2C)C3)C=C1C(=O)[O-]	REAL300008285089	0	47	-1.0	-59.73	388.26	6.70	-53.03
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008285090	0	47	-1.0	-53.60	384.21	7.59	-46.01
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008285091	0	39	-1.0	-47.78	317.04	4.26	-43.52
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008285092	0	45	-1.0	-55.33	380.86	6.11	-49.22
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1)C2	REAL300008285093	0	36	-1.0	-64.87	313.75	4.80	-60.07
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC(F)=C1)C2	REAL300008285094	0	36	-1.0	-68.32	320.16	4.87	-63.45
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285095	0	41	-1.0	-80.10	355.02	5.21	-74.89
CCCCN(C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285096	0	43	-1.0	-62.55	355.51	4.45	-58.10
CCCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285097	0	38	-1.0	-63.84	320.66	4.09	-59.75
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CS1)C2	REAL300008285098	0	33	-1.0	-63.68	305.31	3.83	-59.85
CCC(C)C1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285099	0	48	-1.0	-64.78	392.03	7.41	-57.37
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)S1	REAL300008285100	0	36	-1.0	-66.02	327.61	4.60	-61.42
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(Cl)S1)C2	REAL300008285101	0	33	-1.0	-60.56	322.31	4.45	-56.11
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285102	0	43	-1.0	-67.78	358.59	5.32	-62.46
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCOCC1)C2	REAL300008285103	0	39	-1.0	-63.39	323.23	1.59	-61.80
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C2	REAL300008285104	0	42	-1.0	-72.28	374.46	2.32	-69.96
COC1=CC(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1OC	REAL300008285105	0	47	-1.0	-61.48	378.27	4.34	-57.14
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285106	0	39	-1.0	-59.90	336.28	5.66	-54.24
CN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285107	0	36	-1.0	-69.95	318.34	2.52	-67.43
CCN(CC)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285108	0	40	-1.0	-64.71	331.17	3.71	-61.00
CN(C1CCCCC1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285109	0	47	-1.0	-65.10	369.99	5.30	-59.80
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285110	0	42	-1.0	-69.33	348.23	3.78	-65.55
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3OCCOC3=C1)C2	REAL300008285111	0	42	-1.0	-69.26	358.24	3.96	-65.30
CCC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285112	0	42	-1.0	-65.07	356.24	6.26	-58.81
CC1=NNC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285113	0	36	-1.0	-65.05	309.13	1.70	-63.35
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285114	0	41	-1.0	-80.71	340.57	6.58	-74.13
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1=CC=CC(Cl)=C1)C2	REAL300008285115	0	42	-1.0	-63.37	375.78	6.84	-56.53
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285116	0	46	-1.0	-72.53	396.86	1.37	-71.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285117	0	47	-1.0	-69.85	395.96	6.68	-63.17
CC1=CC(F)=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285118	0	39	-1.0	-67.45	341.57	5.53	-61.92
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1CC1)C2	REAL300008285119	0	39	-1.0	-64.09	330.74	4.87	-59.22
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC=CC=C3OC1)C2	REAL300008285120	0	42	-1.0	-64.42	357.84	5.26	-59.16
COCC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285121	0	43	-1.0	-66.00	368.42	4.55	-61.45
CCOC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285122	0	42	-1.0	-61.94	362.78	2.42	-59.52
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCCS(C)(=O)=O)C2	REAL300008285123	0	41	-1.0	-75.90	362.80	0.85	-75.05
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1C	REAL300008285124	0	46	-1.0	-62.98	364.38	5.03	-57.95
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC=CN=C3C=C1)C2	REAL300008285125	0	41	-1.0	-70.50	354.72	5.19	-65.31
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=NOC=C1)C2	REAL300008285126	0	35	-1.0	-72.69	312.53	2.82	-69.87
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=NN1C	REAL300008285127	0	39	-1.0	-71.23	329.89	2.91	-68.32
CN(C1CCOCC1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285128	0	45	-1.0	-62.94	361.57	2.85	-60.09
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CC3CCC1C3)C2	REAL300008285129	0	42	-1.0	-64.49	341.11	4.34	-60.15
CCN1N=C(C)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1C	REAL300008285130	0	45	-1.0	-69.26	370.03	4.65	-64.61
CC(C)N1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285131	0	42	-1.0	-68.63	358.14	3.92	-64.71
CC(C)CN1C=NC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285132	0	45	-1.0	-62.92	378.33	5.78	-57.14
CC(C)N1C=NC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285133	0	42	-1.0	-63.17	359.24	5.19	-57.98
CC(C)C1=NC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CN1	REAL300008285134	0	42	-1.0	-71.10	357.76	3.25	-67.85
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1C(C)(C)C)C2	REAL300008285135	0	48	-1.0	-63.19	365.20	7.42	-55.77
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCCOC1)C2	REAL300008285136	0	43	-1.0	-67.52	347.16	3.57	-63.95
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285137	0	39	-1.0	-65.36	324.60	5.17	-60.19
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285138	0	51	-1.0	-60.72	403.22	5.72	-55.00
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C(F)F)C=C1)C2	REAL300008285139	0	39	-1.0	-64.98	345.94	5.67	-59.31
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285140	0	47	-1.0	-64.62	391.99	4.39	-60.23
COCCC(C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285141	0	42	-1.0	-67.30	345.09	3.23	-64.07
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285142	0	40	-1.0	-60.23	343.32	4.74	-55.49
CCC(C)CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285143	0	41	-1.0	-63.51	333.10	4.70	-58.81
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCC3(CCCCC3)CC1)C2	REAL300008285144	0	54	-1.0	-63.37	400.86	6.47	-56.90
CC1=NC2=C(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)C=CC=C2C=C1	REAL300008285145	0	44	-1.0	-68.69	367.48	6.44	-62.25
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C2	REAL300008285146	0	44	-1.0	-79.23	378.73	6.72	-72.51
CCN(CC1CC1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285147	0	44	-1.0	-63.54	356.42	4.91	-58.63
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(C3CCOCC3)N=C1)C2	REAL300008285148	0	47	-1.0	-64.95	390.53	3.37	-61.58
CCCN1C=NC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285149	0	42	-1.0	-63.05	361.12	5.56	-57.49
COCCOCCOCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285150	0	50	-1.0	-66.48	422.29	2.14	-64.34
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCOCC1CC1)C2	REAL300008285151	0	43	-1.0	-63.94	364.86	4.13	-59.81
CC(COC1CCCC1)CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285152	0	52	-1.0	-64.83	414.63	6.19	-58.64
COCC(C)CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285153	0	42	-1.0	-64.23	347.81	3.15	-61.08
CCOCC(C)CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285154	0	45	-1.0	-64.21	369.66	4.12	-60.09
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(C3CCOC3)N=C1)C2	REAL300008285155	0	44	-1.0	-62.54	371.81	2.55	-59.99
COC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC=C1[N+](=O)[O-]	REAL300008285156	0	42	-1.0	-65.02	369.27	5.54	-59.48
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285157	0	45	-1.0	-65.33	359.50	6.37	-58.96
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCCN1CCOCC1)C2	REAL300008285158	0	48	-1.0	-65.17	387.49	1.80	-63.37
CCOC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285159	0	43	-1.0	-64.34	364.71	5.05	-59.29
COCCN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285160	0	43	-1.0	-63.89	373.13	2.44	-61.45
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC(C)(C)C)C2	REAL300008285161	0	44	-1.0	-63.91	354.36	5.00	-58.91
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C2	REAL300008285162	0	44	-1.0	-68.23	387.29	6.99	-61.24
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC=CC=C3N=C1)C2	REAL300008285163	0	41	-1.0	-63.36	354.93	5.18	-58.18
CC1CCN(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300008285164	0	41	-1.0	-63.78	338.51	3.73	-60.05
COCC1=CC=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285165	0	43	-1.0	-63.15	357.39	4.78	-58.37
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C2	REAL300008285166	0	39	-1.0	-72.38	357.33	3.89	-68.49
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(CC(F)F)N=C1)C2	REAL300008285167	0	39	-1.0	-64.72	352.45	3.68	-61.04
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3OC(C)(C)CC3=C1)C2	REAL300008285168	0	47	-1.0	-64.79	391.18	6.06	-58.73
CSC1=CC=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285169	0	40	-1.0	-65.51	338.45	5.35	-60.16
CCC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285170	0	42	-1.0	-65.69	356.64	6.23	-59.46
CCC1=CC=C(CS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285171	0	45	-1.0	-65.95	380.46	6.98	-58.97
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1=CC=CS1)C2	REAL300008285172	0	39	-1.0	-65.59	349.27	5.42	-60.17
CC1=CC=C(CS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1C	REAL300008285173	0	45	-1.0	-66.68	375.99	6.74	-59.94
CC(C)CN(C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285174	0	43	-1.0	-63.05	346.01	4.58	-58.47
CCN(C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285175	0	37	-1.0	-62.78	312.52	2.93	-59.85
CN(C1CCCC1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285176	0	44	-1.0	-64.23	352.68	4.66	-59.57
CCCN(C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285177	0	40	-1.0	-62.60	334.58	3.64	-58.96
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCOC(C)(C)C1)C2	REAL300008285178	0	45	-1.0	-63.18	360.19	3.02	-60.16
CC1=NOC(CS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285179	0	38	-1.0	-71.44	334.06	3.72	-67.72
CCS(=O)(=O)NCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285180	0	43	-1.0	-68.34	377.67	-0.44	-68.78
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)OC2=CC=C(F)C=C12	REAL300008285181	0	42	-1.0	-64.60	370.12	5.94	-58.66
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1CCCO1)C2	REAL300008285182	0	43	-1.0	-67.98	355.18	3.68	-64.30
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1=CC=C3OCCC3=C1)C2	REAL300008285183	0	47	-1.0	-67.41	394.94	6.17	-61.24
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1N(C)C	REAL300008285184	0	47	-1.0	-66.44	388.36	5.46	-60.98
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C3OCCCN3N=C1)C2	REAL300008285185	0	41	-1.0	-69.47	350.35	1.74	-67.73
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCOCC1CCCC1)C2	REAL300008285186	0	49	-1.0	-63.87	398.53	5.29	-58.58
COC1=CC(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1Cl	REAL300008285187	0	43	-1.0	-58.68	365.07	5.00	-53.68
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285188	0	48	-1.0	-61.11	384.42	5.21	-55.90
COC(C)CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285189	0	39	-1.0	-67.60	330.42	2.55	-65.05
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)C=C12	REAL300008285190	0	43	-1.0	-61.19	374.99	2.51	-58.68
CN1N=CC2=CC(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)=CN=C21	REAL300008285191	0	41	-1.0	-68.92	358.10	3.94	-64.98
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN3CCCCC3=N1)C2	REAL300008285192	0	43	-1.0	-77.09	359.15	4.86	-72.23
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1F	REAL300008285193	0	43	-1.0	-66.60	355.19	4.57	-62.03
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1(C)CCCCC1)C2	REAL300008285194	0	48	-1.0	-65.43	363.20	6.34	-59.09
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC=CC=C3OCC1)C2	REAL300008285195	0	45	-1.0	-66.56	373.10	6.20	-60.36
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN=C(C3=CC=CC=C3)N=C1)C2	REAL300008285196	0	44	-1.0	-65.52	383.20	6.09	-59.43
CN1N=NC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285197	0	35	-1.0	-65.56	306.24	1.16	-64.40
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285198	0	43	-1.0	-66.26	385.55	5.03	-61.23
CC1=CC=C(CS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(F)=C1	REAL300008285199	0	42	-1.0	-71.38	363.83	6.26	-65.12
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C2	REAL300008285200	0	48	0.0	-92.77	391.72	6.72	-86.05
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C(F)(F)F)S1)C2	REAL300008285201	0	36	-1.0	-65.14	346.37	5.00	-60.14
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1CC3=CC=CC=C3C1)C2	REAL300008285202	0	49	-1.0	-66.49	402.56	8.12	-58.37
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C2	REAL300008285203	0	47	-1.0	-65.67	395.25	5.56	-60.11
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1CCC1)C2	REAL300008285204	0	42	-1.0	-64.22	347.36	5.38	-58.84
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCCC(C)(C)C)C2	REAL300008285205	0	47	-1.0	-63.85	375.86	5.77	-58.08
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCCS(=O)(=O)C1)C2	REAL300008285206	0	45	-1.0	-76.06	374.95	1.99	-74.07
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC(F)=CC=C3O1)C2	REAL300008285207	0	39	-1.0	-67.52	349.98	5.27	-62.25
CC1=C(CCS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)SC=N1	REAL300008285208	0	41	-1.0	-65.38	363.02	4.06	-61.32
COCC1(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)CC1	REAL300008285209	0	40	-1.0	-70.74	331.82	4.25	-66.49
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC13CCC(CC1)C3)C2	REAL300008285210	0	46	-1.0	-65.88	362.26	6.24	-59.64
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CC(F)(F)C1)C2	REAL300008285211	0	39	-1.0	-65.41	339.06	4.78	-60.63
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC13CCC(CC1)CC3)C2	REAL300008285212	0	49	-1.0	-65.66	370.79	6.85	-58.81
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1CCOC1)C2	REAL300008285213	0	43	-1.0	-68.41	352.64	3.34	-65.07
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C2	REAL300008285214	0	47	-1.0	-82.50	387.06	1.93	-80.57
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCCCC1(F)F)C2	REAL300008285215	0	45	-1.0	-64.32	366.87	5.98	-58.34
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C2	REAL300008285216	0	43	-1.0	-67.40	364.05	6.97	-60.43
CN1C=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=N1	REAL300008285217	0	36	-1.0	-72.51	318.64	2.34	-70.17
CCC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1[N+](=O)[O-]	REAL300008285218	0	44	-1.0	-77.19	376.15	6.65	-70.54
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(Cl)C=C1)C2	REAL300008285219	0	36	-1.0	-63.04	330.07	5.35	-57.69
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C2	REAL300008285220	0	38	-1.0	-63.71	341.98	5.47	-58.24
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC=CC=C3C=C1)C2	REAL300008285221	0	42	-1.0	-66.71	359.69	7.08	-59.63
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300008285222	0	38	-1.0	-76.02	341.97	5.47	-70.55
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285223	0	41	-1.0	-57.38	347.76	5.82	-51.56
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285224	0	40	-1.0	-64.70	342.84	4.13	-60.57
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C2	REAL300008285225	0	38	-1.0	-78.76	332.76	6.48	-72.28
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285226	0	39	-1.0	-65.39	334.76	5.49	-59.90
CCOC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285227	0	43	-1.0	-65.75	364.70	5.05	-60.70
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1C	REAL300008285228	0	48	-1.0	-63.76	369.64	7.20	-56.56
CC1=CC(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1	REAL300008285229	0	45	-1.0	-63.87	353.56	6.72	-57.15
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285230	0	51	-1.0	-61.56	395.44	7.45	-54.11
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C2	REAL300008285231	0	39	-1.0	-69.00	352.81	5.81	-63.19
CC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285232	0	39	-1.0	-65.42	335.16	5.46	-59.96
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C=CC1=CC=CC=C1)C2	REAL300008285233	0	40	-1.0	-65.35	345.69	5.98	-59.37
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1C(F)(F)F)C2	REAL300008285234	0	39	-1.0	-68.30	341.55	6.29	-62.01
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC(Cl)=C1)C2	REAL300008285235	0	36	-1.0	-66.90	330.48	5.32	-61.58
CC(=O)C1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285236	0	41	-1.0	-70.81	354.58	5.26	-65.55
CC1=CC=C(C)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285237	0	42	-1.0	-62.21	340.64	5.79	-56.42
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1C	REAL300008285238	0	42	-1.0	-65.63	352.17	6.00	-59.63
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1	REAL300008285239	0	42	-1.0	-62.54	340.98	5.81	-56.73
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1[N+](=O)[O-]	REAL300008285240	0	42	-1.0	-78.72	369.26	5.55	-73.17
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C2	REAL300008285241	0	48	-1.0	-64.84	389.96	7.12	-57.72
CC(C)C1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285242	0	45	-1.0	-64.81	373.58	6.75	-58.06
CCCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285243	0	38	-1.0	-63.84	320.66	4.09	-59.75
CCCC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285244	0	45	-1.0	-64.57	378.15	7.02	-57.55
COC1=CC=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285245	0	40	-1.0	-64.14	336.86	4.67	-59.47
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=CC=CC=C1)C2	REAL300008285246	0	39	-1.0	-66.16	337.57	5.54	-60.62
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1C	REAL300008285247	0	51	-1.0	-64.28	382.04	7.67	-56.61
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3OCCCOC3=C1)C2	REAL300008285248	0	45	-1.0	-63.90	376.57	4.75	-59.15
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1[N+](=O)[O-]	REAL300008285249	0	41	-1.0	-58.84	357.97	5.99	-52.85
CC1=NNC(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285250	0	39	-1.0	-66.99	327.71	2.57	-64.42
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C2	REAL300008285251	0	39	-1.0	-63.02	352.09	5.82	-57.20
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3CCCCC3=C1)C2	REAL300008285252	0	46	-1.0	-65.21	376.07	7.31	-57.90
COC1=CC=C(OC)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285253	0	44	-1.0	-70.54	366.63	3.95	-66.59
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1OC	REAL300008285254	0	44	-1.0	-64.36	372.48	4.01	-60.35
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3CCCC3=C1)C2	REAL300008285255	0	43	-1.0	-66.40	359.34	6.72	-59.68
CC1=NOC(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285256	0	38	-1.0	-65.42	325.32	3.71	-61.71
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC=CC=C3CC1)C2	REAL300008285257	0	44	-1.0	-65.35	367.82	7.24	-58.11
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3OCCC3=C1)C2	REAL300008285258	0	41	-1.0	-66.06	349.67	4.66	-61.40
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285259	0	51	-1.0	-64.55	417.21	8.31	-56.24
CC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC([N+](=O)[O-])=C1C	REAL300008285260	0	44	-1.0	-58.85	374.83	6.51	-52.34
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1C	REAL300008285261	0	44	-1.0	-72.17	366.25	6.43	-65.74
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCCCCC1)C2	REAL300008285262	0	44	-1.0	-64.28	346.29	4.91	-59.37
CC1=CC2=CC=CC(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)=C2N=C1	REAL300008285263	0	44	-1.0	-69.74	370.33	6.42	-63.32
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C([N+](=O)[O-])=C1	REAL300008285264	0	42	-1.0	-68.29	358.13	5.66	-62.63
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285265	0	40	-1.0	-61.30	353.60	5.21	-56.09
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCCCC1)C2	REAL300008285266	0	41	-1.0	-63.37	332.71	4.04	-59.33
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCCC1)C2	REAL300008285267	0	38	-1.0	-64.20	316.80	3.16	-61.04
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCC3=CC=CC=C3C1)C2	REAL300008285268	0	45	-1.0	-64.31	370.07	6.13	-58.18
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C2=CC=CN=C12	REAL300008285269	0	44	-1.0	-66.65	364.37	5.76	-60.89
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1C	REAL300008285270	0	44	-1.0	-73.83	372.36	7.86	-65.97
CC1CCN(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)CC1	REAL300008285271	0	44	-1.0	-63.44	352.82	4.61	-58.83
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C2	REAL300008285272	0	42	-1.0	-79.86	374.46	2.32	-77.54
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C2	REAL300008285273	0	46	-1.0	-66.48	380.34	8.50	-57.98
CC1CC(C)CN(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C1	REAL300008285274	0	47	-1.0	-63.40	373.64	5.18	-58.22
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=CC=CC=C31)C2	REAL300008285275	0	42	-1.0	-69.86	349.22	6.82	-63.04
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C3=CC=CC=C3)C=C1)C2	REAL300008285276	0	46	-1.0	-66.30	387.53	8.25	-58.05
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285277	0	39	-1.0	-58.73	325.64	5.19	-53.54
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=NSN=C31)C2	REAL300008285278	0	37	-1.0	-71.60	335.54	3.25	-68.35
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285279	0	40	-1.0	-60.23	353.64	5.19	-55.04
COC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285280	0	40	-1.0	-69.87	343.25	4.10	-65.77
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285281	0	51	-1.0	-64.62	403.78	7.61	-57.01
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1Cl	REAL300008285282	0	39	-1.0	-67.18	349.22	5.91	-61.27
CC(C)OC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285283	0	46	-1.0	-65.65	382.61	5.68	-59.97
CCC1=CC=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285284	0	42	-1.0	-65.79	346.79	6.70	-59.09
CC1=CC=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285285	0	39	-1.0	-66.26	320.68	5.20	-61.06
CC1=NC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CN1C	REAL300008285286	0	39	-1.0	-71.80	337.48	3.70	-68.10
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=CC=CC(Cl)=C1)C2	REAL300008285287	0	39	-1.0	-63.89	354.28	6.06	-57.83
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=NON=C31)C2	REAL300008285288	0	37	-1.0	-78.00	328.06	3.61	-74.39
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=CC=CN=C31)C2	REAL300008285289	0	41	-1.0	-71.51	348.63	5.83	-65.68
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285290	0	42	-1.0	-63.74	365.45	5.33	-58.41
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1F	REAL300008285291	0	40	-1.0	-60.99	349.46	4.18	-56.81
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1F	REAL300008285292	0	39	-1.0	-68.61	340.47	5.51	-63.10
CC1=CC=C(CS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285293	0	42	-1.0	-66.28	358.95	6.22	-60.06
CN1C=NC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285294	0	36	-1.0	-63.82	317.81	3.90	-59.92
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CN=C1)C2	REAL300008285295	0	35	-1.0	-67.52	308.74	3.01	-64.51
CC1CCCCN1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285296	0	44	-1.0	-63.89	340.35	4.56	-59.33
CC(C)N(C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285297	0	40	-1.0	-63.90	329.55	3.43	-60.47
CCCN(CCC)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285298	0	46	-1.0	-63.21	372.33	5.10	-58.11
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285299	0	41	-1.0	-60.36	347.79	5.80	-54.56
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285300	0	41	-1.0	-72.18	343.17	5.66	-66.52
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285301	0	44	-1.0	-69.12	371.55	7.11	-62.01
CC(C)CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285302	0	48	-1.0	-65.02	394.50	7.50	-57.52
COCCC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285303	0	46	-1.0	-65.13	390.32	5.31	-59.82
COCCN(CCOC)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285304	0	48	-1.0	-61.81	390.06	2.01	-59.80
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285305	0	39	-1.0	-58.72	335.97	5.64	-53.08
COC1=C(C)C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1C	REAL300008285306	0	46	-1.0	-64.99	387.34	5.69	-59.30
CC(C)COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285307	0	49	-1.0	-65.41	406.30	6.55	-58.86
CCCOC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285308	0	46	-1.0	-65.36	386.19	5.85	-59.51
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1Cl	REAL300008285309	0	40	-1.0	-60.84	359.27	4.67	-56.17
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1C	REAL300008285310	0	43	-1.0	-64.17	363.31	4.85	-59.32
CC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC=C1OC(C)C	REAL300008285311	0	49	-1.0	-63.87	403.11	6.39	-57.48
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1	REAL300008285312	0	43	-1.0	-63.04	356.42	4.82	-58.22
COCCOC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285313	0	47	-1.0	-68.18	398.32	4.32	-63.86
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=CC=CC=C1F)C2	REAL300008285314	0	39	-1.0	-71.52	342.42	5.59	-65.93
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1C	REAL300008285315	0	44	-1.0	-60.10	354.11	7.26	-52.84
CC1=NC(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)S1	REAL300008285316	0	38	-1.0	-62.76	339.33	3.18	-59.58
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CSC3=CC=CC=C13)C2	REAL300008285317	0	39	-1.0	-64.41	340.64	5.83	-58.58
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCCC1)C2	REAL300008285318	0	42	-1.0	-65.24	341.23	5.25	-59.99
COC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC=C1F	REAL300008285319	0	40	-1.0	-62.83	349.47	4.17	-58.66
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CSC=C1)C2	REAL300008285320	0	33	-1.0	-64.01	304.89	3.72	-60.29
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC(C3=CC=CC=C3)=C1)C2	REAL300008285321	0	46	-1.0	-70.28	387.95	8.22	-62.06
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCCCC1)C2	REAL300008285322	0	45	-1.0	-64.08	356.49	5.95	-58.13
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285323	0	44	-1.0	-70.41	369.98	6.48	-63.93
CNC(=O)C1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CN1C	REAL300008285324	0	44	-1.0	-67.60	377.70	2.46	-65.14
COC1=CC(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1	REAL300008285325	0	46	-1.0	-64.35	364.50	5.44	-58.91
COC1=CC(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1C	REAL300008285326	0	46	-1.0	-66.97	370.39	5.26	-61.71
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C2=CC=CN=C2C=C1	REAL300008285327	0	44	-1.0	-67.50	356.98	5.87	-61.63
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=CN=CC=C31)C2	REAL300008285328	0	41	-1.0	-71.93	344.37	5.04	-66.89
CCN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C([N+](=O)[O-])=N1	REAL300008285329	0	41	-1.0	-80.63	358.41	5.32	-75.31
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285330	0	44	-1.0	-80.37	376.83	6.08	-74.29
CN(C1CC1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285331	0	38	-1.0	-63.93	318.51	3.44	-60.49
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN=C3NC=CC=C13)C2	REAL300008285332	0	39	-1.0	-73.51	341.54	4.04	-69.47
CC1=CC=CC(CS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285333	0	42	-1.0	-66.05	358.95	6.21	-59.84
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=CC=CC(F)=C1)C2	REAL300008285334	0	39	-1.0	-64.07	343.96	5.61	-58.46
CC1=CC=CC=C1CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285335	0	42	-1.0	-65.32	351.89	6.20	-59.12
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285336	0	46	-1.0	-67.02	377.30	6.34	-60.68
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC(N3C=NN=N3)=C1)C2	REAL300008285337	0	41	-1.0	-82.71	361.62	5.02	-77.69
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(C3=CC=CC=C3)N=C1)C2	REAL300008285338	0	43	-1.0	-69.74	374.32	5.92	-63.82
COCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285339	0	36	-1.0	-63.81	311.33	1.58	-62.23
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=C1CCCC3)C2	REAL300008285340	0	46	-1.0	-64.29	367.19	7.35	-56.94
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3COCC3=C1)C2	REAL300008285341	0	41	-1.0	-66.57	349.77	4.12	-62.45
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=CC=CC3=CC=CN=C31)C2	REAL300008285342	0	44	-1.0	-75.40	377.44	6.08	-69.32
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1CCS(=O)(=O)CC1)C2	REAL300008285343	0	42	-1.0	-76.53	354.66	1.23	-75.30
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(N3C=NN=N3)C=C1)C2	REAL300008285344	0	41	-1.0	-73.19	361.61	5.02	-68.17
CCOC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1	REAL300008285345	0	46	-1.0	-63.03	370.76	5.36	-57.67
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1OC(F)F)C2	REAL300008285346	0	40	-1.0	-61.52	346.60	4.94	-56.58
CSC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285347	0	40	-1.0	-64.11	353.55	5.85	-58.26
CCCCCCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285348	0	47	-1.0	-63.78	385.15	6.43	-57.35
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285349	0	47	-1.0	-64.90	386.32	6.62	-58.28
CCN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)N=C1C	REAL300008285350	0	42	-1.0	-71.04	359.52	4.60	-66.44
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=C1OCCO3)C2	REAL300008285351	0	42	-1.0	-67.39	351.90	4.46	-62.93
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=NC=CC=C13)C2	REAL300008285352	0	41	-1.0	-66.68	344.26	4.93	-61.75
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCCO1)C2	REAL300008285353	0	40	-1.0	-67.41	333.38	3.02	-64.39
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCCCO1)C2	REAL300008285354	0	43	-1.0	-64.28	351.31	4.05	-60.23
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3C(=O)CCCC3=C1)C2	REAL300008285355	0	45	-1.0	-62.99	378.62	6.40	-56.59
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)C=C12	REAL300008285356	0	44	-1.0	-68.74	380.07	4.53	-64.21
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285357	0	43	-1.0	-66.93	382.44	5.42	-61.51
COCC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285358	0	43	-1.0	-67.33	368.82	4.52	-62.81
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=C1OC(C)(C)C3)C2	REAL300008285359	0	47	-1.0	-67.16	388.97	6.10	-61.06
CCN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285360	0	39	-1.0	-69.60	339.45	3.39	-66.21
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=CC=CC=C1Cl)C2	REAL300008285361	0	39	-1.0	-69.01	350.51	6.00	-63.01
CC(C1CC1)N(C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285362	0	44	-1.0	-64.20	354.16	4.80	-59.40
CN1N=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285363	0	36	-1.0	-62.45	310.55	2.33	-60.12
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCOC1)C2	REAL300008285364	0	40	-1.0	-65.27	329.78	2.75	-62.52
CC1CC2=CC(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)=CC=C2O1	REAL300008285365	0	44	-1.0	-65.98	370.82	5.42	-60.56
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285366	0	48	-1.0	-62.82	362.31	7.10	-55.72
CCCCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285367	0	41	-1.0	-63.81	342.15	4.87	-58.94
COCCN(C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285368	0	41	-1.0	-64.62	345.29	2.01	-62.61
CN(CC1CC1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285369	0	41	-1.0	-63.95	343.78	4.49	-59.46
CN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C(F)(F)F)=N1	REAL300008285370	0	39	-1.0	-62.63	342.04	3.25	-59.38
CC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C(C)O1	REAL300008285371	0	39	-1.0	-68.35	331.37	4.23	-64.12
CC1=CSC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285372	0	36	-1.0	-65.19	327.38	4.47	-60.72
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300008285373	0	39	-1.0	-71.56	343.56	5.20	-66.36
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3OCOC3=C1)C2	REAL300008285374	0	39	-1.0	-68.30	339.42	3.49	-64.81
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285375	0	39	-1.0	-62.04	340.93	1.49	-60.55
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CO1)C2	REAL300008285376	0	33	-1.0	-66.84	296.48	2.79	-64.05
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN=C3CCCN13)C2	REAL300008285377	0	40	-1.0	-68.96	341.91	4.27	-64.69
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=COC=C1)C2	REAL300008285378	0	33	-1.0	-66.23	296.29	2.69	-63.54
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)SC=C1	REAL300008285379	0	36	-1.0	-65.31	324.11	4.53	-60.78
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3OCCCC3=C1)C2	REAL300008285380	0	44	-1.0	-64.97	367.45	5.43	-59.54
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1CC3=CC=CC=C3C1)C2	REAL300008285381	0	43	-1.0	-66.18	357.08	6.63	-59.55
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1CCOC1)C2	REAL300008285382	0	37	-1.0	-65.07	308.88	1.87	-63.20
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CNC=N1)C2	REAL300008285383	0	33	-1.0	-63.35	295.10	2.20	-61.15
CC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC=C1[N+](=O)[O-]	REAL300008285384	0	41	-1.0	-64.21	357.97	5.98	-58.23
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCCF)C2	REAL300008285385	0	35	-1.0	-65.09	305.75	3.44	-61.65
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCCCF)C2	REAL300008285386	0	38	-1.0	-64.87	327.25	4.22	-60.65
CC1=NN(C)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285387	0	39	-1.0	-66.18	332.10	3.02	-63.16
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)O1	REAL300008285388	0	36	-1.0	-63.88	317.97	3.64	-60.24
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)N(C)N=C1	REAL300008285389	0	39	-1.0	-63.47	329.20	3.25	-60.22
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN=C3C=CSC3=C1)C2	REAL300008285390	0	38	-1.0	-67.05	345.74	4.29	-62.76
CN(C)C1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285391	0	44	-1.0	-66.44	364.44	5.22	-61.22
CC1=CC2=CC=C(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)C=C2C=C1	REAL300008285392	0	45	-1.0	-66.40	381.04	7.74	-58.66
COC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)SC=C1	REAL300008285393	0	37	-1.0	-68.89	333.68	3.84	-65.05
C=CCCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285394	0	39	-1.0	-64.23	333.47	4.65	-59.58
CN(C)C1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285395	0	44	-1.0	-67.08	364.84	5.18	-61.90
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCC1)C2	REAL300008285396	0	39	-1.0	-64.28	325.81	4.61	-59.67
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=C1OCC3)C2	REAL300008285397	0	41	-1.0	-68.08	346.87	4.74	-63.34
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=NOC3=CC=CC=C31)C2	REAL300008285398	0	41	-1.0	-75.52	360.49	4.90	-70.62
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3CCOC3=C1)C2	REAL300008285399	0	41	-1.0	-71.47	349.60	4.67	-66.80
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1=CC=C(Cl)C=C1)C2	REAL300008285400	0	42	-1.0	-64.73	375.80	6.84	-57.89
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3CCCN(C)C3=C1)C2	REAL300008285401	0	48	-1.0	-68.86	388.21	5.36	-63.50
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C2	REAL300008285402	0	38	-1.0	-59.61	349.24	4.12	-55.49
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285403	0	44	-1.0	-69.16	367.63	5.30	-63.86
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285404	0	44	-1.0	-61.98	366.01	6.43	-55.55
CC1=CC=C(C)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1[N+](=O)[O-]	REAL300008285405	0	44	-1.0	-82.52	364.73	7.65	-74.87
CC1=CC(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1[N+](=O)[O-]	REAL300008285406	0	44	-1.0	-57.23	363.02	6.29	-50.94
COC1=CC=C(CCS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285407	0	46	-1.0	-65.84	388.55	5.63	-60.21
COC1=CN=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285408	0	39	-1.0	-65.02	338.32	2.28	-62.74
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C(C)(C)C)S1)C2	REAL300008285409	0	45	-1.0	-66.38	386.80	6.45	-59.93
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C3CC3)C=C1)C2	REAL300008285410	0	43	-1.0	-64.96	362.60	6.92	-58.04
COC1=CC(OC)=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285411	0	44	-1.0	-67.25	372.74	3.42	-63.83
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1CCCCC1)C2	REAL300008285412	0	48	-1.0	-64.22	379.83	6.50	-57.72
CC1=CC=C(CCS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285413	0	45	-1.0	-65.13	380.48	7.01	-58.12
CC1=CC2=C(C=C1S(=O)(=O)N1CCC3=C(C1)C(C(=O)[O-])=NN3C)OCO2	REAL300008285414	0	42	-1.0	-59.74	345.48	3.80	-55.94
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C3OC=CC3=CC=C1)C2	REAL300008285415	0	39	-1.0	-69.06	339.24	5.13	-63.93
COC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC=C1Cl	REAL300008285416	0	40	-1.0	-62.60	359.27	4.66	-57.94
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1CCCC1)C2	REAL300008285417	0	45	-1.0	-64.25	363.34	5.91	-58.34
CN1C=NC2=CC(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)=CC=C21	REAL300008285418	0	42	-1.0	-77.25	362.02	6.15	-71.10
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C2=NC=CC=C2C=C1	REAL300008285419	0	44	-1.0	-75.90	362.86	6.36	-69.54
CC1=NC2=CC=C(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)C=C2O1	REAL300008285420	0	41	-1.0	-68.60	357.40	2.47	-66.13
CCC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1CC	REAL300008285421	0	48	-1.0	-65.71	390.80	7.37	-58.34
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285422	0	44	-1.0	-61.30	363.29	6.82	-54.48
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285423	0	46	-1.0	-68.26	372.94	6.35	-61.91
CC1=C(C)SC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285424	0	39	-1.0	-63.91	347.02	5.24	-58.67
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC(Cl)=CN=C1N)C2	REAL300008285425	0	37	-1.0	-62.93	327.12	2.82	-60.11
CC1=NC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)S1	REAL300008285426	0	35	-1.0	-62.56	322.33	2.62	-59.94
CCC1=NC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)S1	REAL300008285427	0	38	-1.0	-62.34	343.82	3.38	-58.96
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(N)=NO1	REAL300008285428	0	37	-1.0	-58.54	320.18	2.21	-56.33
CN(C)C1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285429	0	43	-1.0	-63.61	362.52	4.62	-58.99
CC1=CC(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)S1	REAL300008285430	0	39	-1.0	-65.51	345.96	5.33	-60.18
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C2	REAL300008285431	0	42	-1.0	-69.16	360.34	6.04	-63.12
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=C1OCO3)C2	REAL300008285432	0	39	-1.0	-67.80	337.51	3.45	-64.35
CC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC(C)=C1F	REAL300008285433	0	42	-1.0	-62.97	360.79	6.14	-56.83
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3OCCC(=O)C3=C1)C2	REAL300008285434	0	43	-1.0	-76.17	369.74	4.56	-71.61
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCCOCC1=CC=CC=C1)C2	REAL300008285435	0	49	-1.0	-66.84	414.59	6.38	-60.46
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CNC3=CC=CC(F)=C31)C2	REAL300008285436	0	40	-1.0	-79.23	345.86	4.67	-74.56
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C3N=CSC3=CC=C1)C2	REAL300008285437	0	38	-1.0	-67.66	342.00	4.44	-63.22
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285438	0	38	-1.0	-61.94	330.35	3.63	-58.31
CC1=NC(CS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CS1	REAL300008285439	0	38	-1.0	-71.29	343.66	3.23	-68.06
COC(CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)C1CC1	REAL300008285440	0	43	-1.0	-63.11	356.41	4.37	-58.74
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=CC=C(Cl)C=C1)C2	REAL300008285441	0	39	-1.0	-64.87	354.27	6.07	-58.80
CC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC=C1Cl	REAL300008285442	0	39	-1.0	-62.75	349.21	5.89	-56.86
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3CCC(=O)C3=C1)C2	REAL300008285443	0	42	-1.0	-79.65	361.90	5.81	-73.84
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=C1OCCC3)C2	REAL300008285444	0	44	-1.0	-67.95	360.82	6.07	-61.88
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=C1OCCCO3)C2	REAL300008285445	0	45	-1.0	-69.27	370.36	5.18	-64.09
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=CC(F)=CC=C1Cl)C2	REAL300008285446	0	39	-1.0	-66.23	356.90	6.07	-60.16
CCC1(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)CC1	REAL300008285447	0	39	-1.0	-66.61	319.09	5.06	-61.55
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285448	0	49	-1.0	-65.67	403.79	6.47	-59.20
COC(CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)C1CCCC1	REAL300008285449	0	49	-1.0	-64.88	386.64	5.19	-59.69
COC(CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)C1CCCCC1	REAL300008285450	0	52	-1.0	-62.78	409.25	6.02	-56.76
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1COC(C)(C)C1)C2	REAL300008285451	0	43	-1.0	-64.29	352.88	3.44	-60.85
CCOC(CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C)C1CC1	REAL300008285452	0	46	-1.0	-63.26	378.26	5.31	-57.95
CCC1=NC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CN1CC1CC1	REAL300008285453	0	49	-1.0	-76.22	407.50	6.61	-69.61
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN=C(C3CC3)S1)C2	REAL300008285454	0	39	-1.0	-62.85	353.54	4.30	-58.55
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1[N+](=O)[O-]	REAL300008285455	0	44	-1.0	-70.74	367.55	6.67	-64.07
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C(C3CC3)C=NN1C)C2	REAL300008285456	0	43	-1.0	-62.77	358.89	4.77	-58.00
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285457	0	39	-1.0	-63.93	353.73	3.48	-60.45
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3CCC4=C3C1=CC=C4)C2	REAL300008285458	0	46	-1.0	-67.56	369.28	7.77	-59.79
CCC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C(C)C=C1OC	REAL300008285459	0	49	-1.0	-61.11	390.43	5.90	-55.21
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=N1	REAL300008285460	0	38	-1.0	-74.77	337.34	3.62	-71.15
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C2=CC=CC=C2C=C1	REAL300008285461	0	45	-1.0	-69.63	361.87	7.75	-61.88
CC(C)OC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285462	0	45	-1.0	-62.25	382.96	3.37	-58.88
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285463	0	40	-1.0	-60.25	341.34	4.97	-55.28
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C2	REAL300008285464	0	48	-1.0	-68.36	391.97	7.05	-61.31
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C3CCCCC3=NN1C)C2	REAL300008285465	0	46	-1.0	-62.87	370.72	4.88	-57.99
CN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C(C)(C)C)=N1	REAL300008285466	0	48	-1.0	-66.89	385.85	5.21	-61.68
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(C3CCCC3)N=C1)C2	REAL300008285467	0	46	-1.0	-68.11	381.19	5.16	-62.95
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C2	REAL300008285468	0	39	-1.0	-57.96	340.25	3.48	-54.48
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285469	0	43	-1.0	-67.71	372.11	4.97	-62.74
C=CCCC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285470	0	46	-1.0	-64.34	390.96	7.58	-56.76
CCC1=NN(C)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285471	0	42	-1.0	-67.22	352.88	3.58	-63.64
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C=CC1=CC=CC(Cl)=C1)C2	REAL300008285472	0	40	-1.0	-62.90	362.40	6.50	-56.40
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285473	0	42	-1.0	-60.63	351.79	6.67	-53.96
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCCC1CC1)C2	REAL300008285474	0	42	-1.0	-64.09	352.27	5.65	-58.44
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C=CC1=CC=CC=C1Cl)C2	REAL300008285475	0	40	-1.0	-62.96	359.93	6.43	-56.53
CCCC1=CC=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285476	0	45	-1.0	-66.00	368.29	7.47	-58.53
COC1=NC=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285477	0	39	-1.0	-66.52	334.72	2.06	-64.46
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC3=CC=NC=C31)C2	REAL300008285478	0	41	-1.0	-76.08	344.30	5.00	-71.08
CC1=NC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)N1C	REAL300008285479	0	39	-1.0	-60.45	332.97	3.85	-56.60
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=N1)C2	REAL300008285480	0	35	-1.0	-71.73	309.62	2.91	-68.82
CC1=CSC(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285481	0	39	-1.0	-60.21	331.27	5.32	-54.89
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(C3CCC3)N=C1)C2	REAL300008285482	0	43	-1.0	-61.75	363.66	4.48	-57.27
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=NN1C1CCC1)C2	REAL300008285483	0	43	-1.0	-62.81	360.88	4.68	-58.13
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=NN1CC1CCC1)C2	REAL300008285484	0	46	-1.0	-62.19	380.80	5.29	-56.90
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C3OCC(C)(C)CN3N=C1)C2	REAL300008285485	0	47	-1.0	-64.20	387.47	2.86	-61.34
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN=C3CCCCN13)C2	REAL300008285486	0	43	-1.0	-67.14	358.15	4.86	-62.28
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285487	0	46	-1.0	-59.44	374.49	5.92	-53.52
CC1CC2=CC=CC(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)=C2O1	REAL300008285488	0	44	-1.0	-69.16	367.92	5.49	-63.67
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN=C(C(C)(C)C)S1)C2	REAL300008285489	0	44	-1.0	-64.58	382.01	4.49	-60.09
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285490	0	41	-1.0	-73.60	354.47	4.43	-69.17
CCN1N=NC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285491	0	38	-1.0	-65.83	326.80	2.03	-63.80
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1C[C@@H]3CCC[C@@H]3C1)C2	REAL300008285492	0	45	-1.0	-63.86	358.22	4.79	-59.07
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=NON=C3C=C1)C2	REAL300008285493	0	37	-1.0	-59.39	328.63	3.59	-55.80
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC=CC=C3S1)C2	REAL300008285494	0	39	-1.0	-64.23	352.23	6.26	-57.97
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285495	0	43	-1.0	-63.87	363.53	4.45	-59.42
CC1=CC(C)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1F	REAL300008285496	0	45	-1.0	-58.84	360.50	6.82	-52.02
COC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1OC	REAL300008285497	0	44	-1.0	-62.83	364.30	4.67	-58.16
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=COC3=CC=CC=C13)C2	REAL300008285498	0	39	-1.0	-67.50	339.35	4.94	-62.56
CN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C2CCCC2)=N1	REAL300008285499	0	49	-1.0	-67.47	393.62	5.27	-62.20
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285500	0	48	-1.0	-61.20	390.86	5.36	-55.84
CCCCN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=N1	REAL300008285501	0	48	-1.0	-65.46	396.62	5.42	-60.04
CN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C2CC2)=N1	REAL300008285502	0	43	-1.0	-65.76	356.21	4.12	-61.64
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(OC(F)F)C=C1)C2	REAL300008285503	0	40	-1.0	-65.45	352.59	4.41	-61.04
CN1N=NC2=C(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)C=CC=C21	REAL300008285504	0	41	-1.0	-68.95	356.29	3.27	-65.68
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCCC(C)(C)C1)C2	REAL300008285505	0	47	-1.0	-62.89	365.68	5.21	-57.68
CN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C2CCC2)=N1	REAL300008285506	0	46	-1.0	-66.83	376.24	4.77	-62.06
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(CC3CCC3)N=C1)C2	REAL300008285507	0	46	-1.0	-70.05	387.72	5.44	-64.61
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C(C3CC3)C=CS1)C2	REAL300008285508	0	40	-1.0	-64.44	351.10	5.83	-58.61
CCCC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285509	0	45	-1.0	-65.79	378.14	7.01	-58.78
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C3CCCC3=NN1C)C2	REAL300008285510	0	43	-1.0	-63.68	357.36	4.27	-59.41
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1C[C@@H]3CC[C@@H]3C1)C2	REAL300008285511	0	42	-1.0	-64.22	341.67	4.22	-60.00
CC1=CC=CC(C)=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285512	0	42	-1.0	-63.28	334.73	6.09	-57.19
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=NN1C(C)(C)C)C2	REAL300008285513	0	45	-1.0	-63.85	357.97	4.50	-59.35
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(C(C)(C)C)N=C1)C2	REAL300008285514	0	45	-1.0	-69.33	378.30	4.53	-64.80
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CNN=C1C1CCC1)C2	REAL300008285515	0	43	-1.0	-65.90	353.28	3.45	-62.45
CC1=NN(C)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285516	0	39	-1.0	-63.01	334.94	3.06	-59.95
CC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1C	REAL300008285517	0	42	-1.0	-62.76	336.79	5.66	-57.10
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285518	0	47	-1.0	-80.26	398.33	6.84	-73.42
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC3=CC=CC=C3CCC1)C2	REAL300008285519	0	47	-1.0	-66.94	380.74	7.81	-59.13
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CC3=CC=CC=C3C1)C2	REAL300008285520	0	42	-1.0	-64.56	355.79	5.26	-59.30
CN(C1CCC1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285521	0	41	-1.0	-64.01	331.47	3.85	-60.16
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=NOC3=C1COCC3)C2	REAL300008285522	0	43	-1.0	-72.87	366.41	3.18	-69.69
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)N1CCC(F)(F)CC1)C2	REAL300008285523	0	40	-1.0	-69.13	318.94	6.49	-62.64
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CSC=C1C(F)(F)F)C2	REAL300008285524	0	36	-1.0	-67.31	336.29	5.08	-62.23
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC(C3CC3)=C1)C2	REAL300008285525	0	43	-1.0	-66.40	362.97	6.90	-59.50
COC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=CS1	REAL300008285526	0	37	-1.0	-62.56	332.74	3.35	-59.21
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=NN1C1CCCC1)C2	REAL300008285527	0	46	-1.0	-62.91	378.19	5.43	-57.48
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285528	0	45	-1.0	-62.37	373.32	4.73	-57.64
CN(C(C)(C)C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285529	0	43	-1.0	-63.30	334.01	3.75	-59.55
CCC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)O1	REAL300008285530	0	39	-1.0	-63.49	339.46	4.42	-59.07
CN(C1CCCCCC1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285531	0	50	-1.0	-61.64	378.12	5.61	-56.03
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C2	REAL300008285532	0	42	-1.0	-67.26	366.96	6.33	-60.93
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC(OC(F)F)=C1)C2	REAL300008285533	0	40	-1.0	-65.37	352.61	4.41	-60.96
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)S1	REAL300008285534	0	37	-1.0	-64.68	337.58	3.25	-61.43
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCC(C(F)(F)F)CC1)C2	REAL300008285535	0	44	-1.0	-64.66	369.37	4.91	-59.75
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(CCF)N=C1)C2	REAL300008285536	0	39	-1.0	-63.47	346.05	3.53	-59.94
CCOCC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285537	0	46	-1.0	-67.38	390.67	5.49	-61.89
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN(C3CCCCC3)N=C1)C2	REAL300008285538	0	49	-1.0	-67.69	399.77	5.77	-61.92
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1CF)C2	REAL300008285539	0	39	-1.0	-64.95	325.27	5.27	-59.68
CC1=CN=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285540	0	38	-1.0	-61.99	330.20	3.67	-58.32
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C2=CC=CC=C12	REAL300008285541	0	45	-1.0	-69.54	366.93	7.35	-62.19
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CC3CC1C3)C2	REAL300008285542	0	39	-1.0	-65.14	325.09	3.71	-61.43
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C=CC1=CC=C(F)C=C1)C2	REAL300008285543	0	40	-1.0	-65.03	352.08	6.04	-58.99
CCOCCCS(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285544	0	42	-1.0	-65.13	354.69	3.34	-61.79
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCC1NC(=O)NC1=O)C2	REAL300008285545	0	41	-1.0	-69.59	356.99	-1.22	-70.81
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN=C3C=CC=CN13)C2	REAL300008285546	0	39	-1.0	-71.49	339.30	5.19	-66.30
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1CCC(F)(F)CC1)C2	REAL300008285547	0	42	-1.0	-68.04	345.57	5.18	-62.86
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C3SC=NC3=C1)C2	REAL300008285548	0	38	-1.0	-71.54	344.69	4.20	-67.34
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCOC1CCOC1)C2	REAL300008285549	0	44	-1.0	-64.20	368.61	2.01	-62.19
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1COCCO1)C2	REAL300008285550	0	41	-1.0	-65.56	342.20	2.18	-63.38
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC13CC4CC(CC(C4)C1)C3)C2	REAL300008285551	0	53	-1.0	-64.83	390.81	7.69	-57.14
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCN1C=NN=N1)C2	REAL300008285552	0	37	-1.0	-73.78	328.60	2.70	-71.08
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CC(C)(C)CO1)C2	REAL300008285553	0	46	-1.0	-69.01	374.25	4.08	-64.93
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CS(=O)(=O)C1)C2	REAL300008285554	0	39	-1.0	-72.18	343.91	0.55	-71.63
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC(C)(C)C(C)(F)F)C2	REAL300008285555	0	44	-1.0	-64.58	352.78	5.28	-59.30
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CCCCS(C)(=O)=O)C2	REAL300008285556	0	44	-1.0	-75.23	384.29	1.64	-73.59
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1CCC(C)(C)CO1)C2	REAL300008285557	0	49	-1.0	-63.98	388.09	5.16	-58.82
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C2	REAL300008285558	0	46	-1.0	-65.17	383.89	7.14	-58.03
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1=CC=CC3=NSN=C31)C2	REAL300008285559	0	40	-1.0	-67.19	361.32	3.87	-63.32
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)CC1C[C@@H]3COC[C@@H]3O1)C2	REAL300008285560	0	45	-1.0	-70.70	366.97	2.24	-68.46
COCCC1(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)CC1	REAL300008285561	0	43	-1.0	-59.90	349.29	3.64	-56.26
CCN1N=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=N1	REAL300008285562	0	38	-1.0	-68.64	334.08	1.68	-66.96
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C[C@@H]1C[C@@H]3CCCC[C@H]13)C2	REAL300008285563	0	49	-1.0	-65.44	380.75	6.83	-58.61
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C3CC3)S1)C2	REAL300008285564	0	40	-1.0	-63.41	357.15	6.15	-57.26
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1	REAL300008285565	0	47	-1.0	-65.12	390.26	5.87	-59.25
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285566	0	41	-1.0	-65.15	338.17	1.60	-63.55
CC1=COC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285567	0	36	-1.0	-66.59	318.37	3.49	-63.10
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)O1	REAL300008285568	0	36	-1.0	-63.88	317.97	3.64	-60.24
CCC1=NNC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285569	0	39	-1.0	-65.07	328.05	2.29	-62.78
COC1=CSC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1OC	REAL300008285570	0	41	-1.0	-61.47	363.66	3.53	-57.94
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1C[C@@H]3CCCC[C@@H]3C1)C2	REAL300008285571	0	48	-1.0	-63.92	374.17	5.25	-58.67
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285572	0	47	-1.0	-62.53	393.92	6.71	-55.82
COC1=CC(F)=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(F)=C1	REAL300008285573	0	40	-1.0	-64.68	351.73	4.38	-60.30
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C3C=CC=CC3=NN1C)C2	REAL300008285574	0	42	-1.0	-64.27	356.38	4.74	-59.53
CN1C=CC2=CC(S(=O)(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)=CC=C21	REAL300008285575	0	43	-1.0	-70.46	367.46	6.57	-63.89
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1C(C)(F)F)C2	REAL300008285576	0	42	-1.0	-73.12	353.57	6.72	-66.40
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285577	0	47	-1.0	-71.38	397.42	6.42	-64.96
CCN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C2CC2)=N1	REAL300008285578	0	46	-1.0	-65.84	377.74	4.99	-60.85
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C2=NSN=C2C=C1	REAL300008285579	0	40	-1.0	-76.72	341.31	3.73	-72.99
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CSC(C(F)(F)F)=N1)C2	REAL300008285580	0	35	-1.0	-68.38	341.45	2.75	-65.63
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285581	0	49	-1.0	-65.91	401.83	5.98	-59.93
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C(Cl)OC=C1)C2	REAL300008285582	0	33	-1.0	-63.84	307.28	3.14	-60.70
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC(Cl)=CS1)C2	REAL300008285583	0	33	-1.0	-60.79	322.62	4.32	-56.47
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=C3COCCC3=NN1C)C2	REAL300008285584	0	44	-1.0	-65.82	361.17	2.42	-63.40
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=CC=C1C1CC1)C2	REAL300008285585	0	43	-1.0	-66.27	347.32	6.48	-59.79
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCC(C)(C)CC1)C2	REAL300008285586	0	47	-1.0	-63.19	366.99	4.91	-58.28
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285587	0	39	-1.0	-63.58	351.78	2.54	-61.04
COC1=NC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=C1C	REAL300008285588	0	42	-1.0	-65.70	361.06	2.23	-63.47
CC(C)CN1C=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=N1	REAL300008285589	0	45	-1.0	-69.37	380.77	4.93	-64.44
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285590	0	45	-1.0	-65.42	370.87	4.32	-61.10
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCN(CC(F)F)CC1)C2	REAL300008285591	0	46	-1.0	-66.91	367.79	1.99	-64.92
COCC1=CC(CS(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=NO1	REAL300008285592	0	42	-1.0	-68.19	367.72	2.72	-65.47
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C2	REAL300008285593	0	47	-1.0	-61.52	386.19	5.19	-56.33
CC(C)N1N=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285594	0	42	-1.0	-62.75	349.72	3.89	-58.86
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=NN1CC1CC1)C2	REAL300008285595	0	43	-1.0	-64.11	364.55	4.94	-59.17
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C2	REAL300008285596	0	43	-1.0	-65.84	368.92	6.09	-59.75
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=C(C(F)F)C=N1)C2	REAL300008285597	0	38	-1.0	-68.73	343.87	3.81	-64.92
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCC3=CC=CN=C31)C2	REAL300008285598	0	41	-1.0	-74.86	348.81	5.19	-69.67
CC1=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C=NN1C(C)C	REAL300008285599	0	45	-1.0	-71.07	371.45	4.44	-66.63
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=NC=CC3=CC=CC=C31)C2	REAL300008285600	0	41	-1.0	-69.66	351.09	5.22	-64.44
CC1=CN=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(C)=C1	REAL300008285601	0	41	-1.0	-63.50	342.34	4.24	-59.26
CC1=CN=CC=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285602	0	38	-1.0	-62.14	323.05	3.72	-58.42
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285603	0	44	-1.0	-76.75	371.93	0.63	-76.12
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CC3CCC(C1)O3)C2	REAL300008285604	0	43	-1.0	-63.61	337.01	2.55	-61.06
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCC(C#N)CC1)C2	REAL300008285605	0	42	-1.0	-68.21	352.13	4.28	-63.93
COC1=CC=NC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285606	0	39	-1.0	-66.33	339.38	2.23	-64.10
C=CCN(CC=C)S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285607	0	42	-1.0	-63.11	356.01	4.73	-58.38
COC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)N=C1	REAL300008285608	0	39	-1.0	-70.16	339.21	2.16	-68.00
CC1=CC=CN=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285609	0	38	-1.0	-63.96	320.88	3.61	-60.35
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC=NC3=CC=CC=C31)C2	REAL300008285610	0	41	-1.0	-66.32	344.83	4.92	-61.40
CCOC1=CC=CN=C1S(=O)(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300008285611	0	42	-1.0	-69.72	358.24	4.11	-65.61
CC1=CC=C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C2=NC=CC=C12	REAL300008285612	0	44	-1.0	-70.97	366.42	6.36	-64.61
CC1=CC(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC=N1	REAL300008285613	0	38	-1.0	-64.25	330.14	3.67	-60.58
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CNC3=CC=CC=C13)C2	REAL300008285614	0	40	-1.0	-72.59	343.08	4.61	-67.98
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)N1CCC(F)(F)C1)C2	REAL300008285615	0	38	-1.0	-60.60	330.61	3.26	-57.34
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CN=CS1)C2	REAL300008285616	0	32	-1.0	-62.22	300.38	1.91	-60.31
CN1N=C(C(=O)[O-])C2=C1CCN(S(=O)(=O)C1=CC(C(F)F)=CC=N1)C2	REAL300008285617	0	38	-1.0	-66.87	341.72	3.81	-63.06
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300008285618	0	49	-1.0	-67.10	398.38	6.86	-60.24
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008285619	0	40	-1.0	-50.70	367.24	6.35	-44.35
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008285620	0	40	-1.0	-55.45	367.31	6.34	-49.11
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008285621	0	43	-1.0	-58.87	382.00	7.24	-51.63
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008285622	0	43	-1.0	-54.95	383.07	6.88	-48.07
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008285623	0	37	-1.0	-50.41	350.58	6.10	-44.31
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008285624	0	40	-1.0	-55.45	367.31	6.34	-49.11
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008285625	0	40	-1.0	-50.70	367.24	6.35	-44.35
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008285626	0	40	-1.0	-53.70	356.68	7.20	-46.50
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008285627	0	38	-1.0	-52.95	355.82	4.06	-48.89
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008285628	0	40	-1.0	-53.83	372.05	4.48	-49.35
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008285629	0	37	-1.0	-50.00	359.59	5.47	-44.53
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008285630	0	37	-1.0	-53.28	339.20	3.24	-50.04
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008285631	0	45	-1.0	-52.20	385.63	5.53	-46.67
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008285632	0	40	-1.0	-53.70	356.68	7.20	-46.50
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008285633	0	37	-1.0	-50.66	352.22	4.71	-45.95
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008285634	0	40	-1.0	-51.87	371.91	5.24	-46.63
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008285635	0	45	-1.0	-48.98	385.70	5.49	-43.49
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008285636	0	43	-1.0	-61.47	390.60	7.07	-54.40
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008285637	0	37	-1.0	-50.66	352.22	4.71	-45.95
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008285638	0	37	-1.0	-51.76	360.36	5.38	-46.38
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008285639	0	43	-1.0	-58.05	384.08	7.51	-50.54
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008285640	0	37	-1.0	-51.94	359.11	5.36	-46.58
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008285641	0	43	-1.0	-50.89	376.50	7.09	-43.80
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008285642	0	43	-1.0	-51.18	389.53	7.12	-44.06
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008285643	0	37	-1.0	-51.40	352.43	4.45	-46.95
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008285644	0	43	-1.0	-54.24	389.49	7.11	-47.13
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008285645	0	40	-1.0	-55.98	371.77	5.46	-50.52
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008285646	0	39	-1.0	-48.74	362.46	4.54	-44.20
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008285647	0	36	-1.0	-53.88	344.89	4.61	-49.27
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008285648	0	36	-1.0	-64.60	348.09	4.00	-60.60
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008285649	0	39	-1.0	-57.12	353.42	5.40	-51.72
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)CCCCCC(=O)[O-]	REAL300008285650	0	45	-1.0	-54.93	395.83	6.56	-48.37
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008285651	0	39	-1.0	-52.63	363.17	4.56	-48.07
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008285652	0	43	-1.0	-51.65	387.11	6.99	-44.66
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)N(C)CCC(=O)[O-]	REAL300008285653	0	41	-1.0	-51.07	366.79	4.58	-46.49
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008285654	0	43	-1.0	-54.95	383.07	6.88	-48.07
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008285655	0	43	-1.0	-58.87	382.00	7.24	-51.63
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008285656	0	43	-1.0	-54.93	377.12	6.21	-48.72
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008285657	0	43	-1.0	-54.24	389.49	7.11	-47.13
CCC1=C(S(=O)(=O)N[C@@H]2C[C@H]2C2=C(Cl)C=CC=C2OC)C=C(C(=O)[O-])O1	REAL300008285658	0	43	-1.0	-55.44	391.53	6.28	-49.16
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008285659	0	42	-1.0	-49.07	378.50	5.06	-44.01
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008285660	0	40	-1.0	-52.53	356.07	4.68	-47.85
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008285661	0	40	-1.0	-53.32	369.98	5.30	-48.02
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008285662	0	37	-1.0	-63.48	348.78	4.76	-58.72
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008285663	0	37	-1.0	-53.28	339.20	3.24	-50.04
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008285664	0	40	-1.0	-52.53	356.07	4.68	-47.85
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008285665	0	39	-1.0	-49.44	363.68	4.46	-44.98
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008285666	0	43	-1.0	-59.22	380.67	7.51	-51.71
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008285667	0	39	-1.0	-56.58	363.37	4.57	-52.01
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008285668	0	37	-1.0	-45.26	350.87	2.58	-42.68
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008285669	0	40	-1.0	-55.43	368.97	4.09	-51.34
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008285670	0	43	-1.0	-60.33	379.76	7.52	-52.81
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008285671	0	40	-1.0	-56.61	363.62	5.70	-50.91
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008285672	0	45	-1.0	-54.98	376.85	6.55	-48.43
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008285673	0	37	-1.0	-45.26	350.87	2.58	-42.68
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008285674	0	37	-1.0	-53.28	339.20	3.24	-50.04
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008285675	0	40	-1.0	-58.17	347.95	6.06	-52.11
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008285676	0	42	-1.0	-52.96	379.85	5.10	-47.86
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008285677	0	43	-1.0	-60.33	379.76	7.52	-52.81
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008285678	0	39	-1.0	-47.92	352.02	5.45	-42.47
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1	REAL300008285679	0	45	-1.0	-51.21	372.28	8.08	-43.13
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285680	0	45	-1.0	-54.83	370.27	7.98	-46.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285681	0	48	-1.0	-56.75	375.56	9.53	-47.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285682	0	49	-1.0	-58.13	380.70	8.61	-49.52
CC1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300008285683	0	48	-1.0	-54.35	386.30	8.51	-45.84
O=C([O-])C1=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=CS1	REAL300008285684	0	42	-1.0	-48.22	354.20	7.76	-40.46
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285685	0	45	-1.0	-54.83	370.27	7.98	-46.85
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1	REAL300008285686	0	45	-1.0	-51.21	372.28	8.08	-43.13
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285687	0	45	-1.0	-65.91	343.36	9.02	-56.89
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=CN1	REAL300008285688	0	43	-1.0	-52.88	361.66	5.82	-47.06
O=C([O-])CN1C=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=N1	REAL300008285689	0	45	-1.0	-49.53	375.83	6.10	-43.43
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)S1	REAL300008285690	0	42	-1.0	-48.28	355.10	7.81	-40.47
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285691	0	42	-1.0	-59.01	339.09	5.80	-53.21
O=C([O-])C1CCCN(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C1	REAL300008285692	0	50	-1.0	-49.94	383.08	7.20	-42.74
O=C([O-])C1CCN(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)CC1	REAL300008285693	0	50	-1.0	-50.91	384.58	7.01	-43.90
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285694	0	45	-1.0	-65.91	343.36	9.02	-56.89
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285695	0	45	-1.0	-58.78	355.38	9.36	-49.42
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)O1	REAL300008285696	0	42	-1.0	-53.28	358.27	6.47	-46.81
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)O1	REAL300008285697	0	45	-1.0	-51.55	366.71	7.57	-43.98
O=C([O-])CCCS(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285698	0	44	-1.0	-53.13	346.38	7.25	-45.88
O=C([O-])C1CCCN1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285699	0	47	-1.0	-48.43	370.85	6.78	-41.65
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1	REAL300008285700	0	48	-1.0	-55.85	395.44	8.79	-47.06
O=C([O-])C1CCN(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)CC1	REAL300008285701	0	50	-1.0	-50.91	384.58	7.01	-43.90
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285702	0	48	-1.0	-60.47	384.14	9.34	-51.13
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)O1	REAL300008285703	0	42	-1.0	-53.28	358.27	6.47	-46.81
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1	REAL300008285704	0	49	-1.0	-49.28	403.38	8.35	-40.93
O=C([O-])CCCS(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285705	0	44	-1.0	-53.13	346.38	7.25	-45.88
O=C([O-])C1=CSC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285706	0	42	-1.0	-52.18	366.11	7.12	-45.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1C	REAL300008285707	0	51	-1.0	-58.53	388.18	9.80	-48.73
CC1=CC=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1C(=O)[O-]	REAL300008285708	0	48	-1.0	-70.31	369.33	8.95	-61.36
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=CS1	REAL300008285709	0	42	-1.0	-53.55	364.21	7.12	-46.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285710	0	48	-1.0	-50.61	365.85	9.15	-41.46
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1	REAL300008285711	0	48	-1.0	-49.17	394.48	8.85	-40.32
O=C([O-])C1=COC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285712	0	42	-1.0	-51.92	358.52	6.22	-45.70
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285713	0	48	-1.0	-53.30	392.44	8.75	-44.55
CC1=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300008285714	0	45	-1.0	-52.31	364.55	7.88	-44.43
O=C([O-])C1=CN=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285715	0	44	-1.0	-50.10	367.52	6.27	-43.83
O=C([O-])C1=NSC=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285716	0	41	-1.0	-48.39	347.17	6.16	-42.23
O=C([O-])C1=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)SC=N1	REAL300008285717	0	41	-1.0	-67.28	328.47	5.70	-61.58
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285718	0	44	-1.0	-68.57	340.12	7.17	-61.40
O=C([O-])CCCCCS(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285719	0	50	-1.0	-54.15	389.38	8.82	-45.33
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=N1	REAL300008285720	0	44	-1.0	-53.66	368.22	6.27	-47.39
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285721	0	45	-1.0	-47.67	378.29	9.13	-38.54
COC1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300008285722	0	49	-1.0	-59.13	397.58	8.06	-51.07
CC1=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300008285723	0	48	-1.0	-50.44	388.31	8.61	-41.83
CN(CCC(=O)[O-])S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285724	0	46	-1.0	-50.44	359.26	6.98	-43.46
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285725	0	45	-1.0	-47.67	378.29	9.13	-38.54
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285726	0	45	-1.0	-51.08	349.69	8.71	-42.37
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1	REAL300008285727	0	48	-1.0	-55.85	395.44	8.79	-47.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285728	0	49	-1.0	-58.13	380.70	8.61	-49.52
CC1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300008285729	0	48	-1.0	-54.35	386.30	8.51	-45.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285730	0	48	-1.0	-56.75	375.56	9.53	-47.22
O=C([O-])CC1(CS(=O)(=O)NC2CCCCC2C2=CC=CC=C2)CC1	REAL300008285731	0	48	-1.0	-57.07	378.21	7.79	-49.28
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285732	0	48	-1.0	-53.30	392.44	8.75	-44.55
COC1=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)SC(C(=O)[O-])=C1	REAL300008285733	0	46	-1.0	-47.76	390.62	7.20	-40.56
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3CCCCC3C3=CC=CC=C3)C=C2)CC1	REAL300008285734	0	52	-1.0	-53.76	416.72	9.89	-43.87
CCC1=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300008285735	0	48	-1.0	-52.08	383.68	8.72	-43.36
CC1=NC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300008285736	0	47	-1.0	-48.90	373.14	7.32	-41.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285737	0	49	-1.0	-49.64	384.10	8.90	-40.74
COC1=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300008285738	0	49	-1.0	-56.63	399.55	8.15	-48.48
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C1F	REAL300008285739	0	48	-1.0	-51.28	399.90	8.88	-42.40
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285740	0	45	-1.0	-51.14	347.78	6.74	-44.40
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285741	0	45	-1.0	-51.08	366.33	7.68	-43.40
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=CC=C1Cl	REAL300008285742	0	45	-1.0	-53.43	384.81	8.46	-44.97
O=C([O-])C1=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)OC=C1	REAL300008285743	0	42	-1.0	-60.66	340.67	7.50	-53.16
O=C([O-])C1(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)CCC1	REAL300008285744	0	45	-1.0	-44.73	348.29	6.96	-37.77
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285745	0	49	-1.0	-64.50	371.81	8.32	-56.18
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285746	0	42	-1.0	-59.01	339.09	5.80	-53.21
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285747	0	45	-1.0	-51.14	347.78	6.74	-44.40
O=C([O-])C1=CC=NC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285748	0	44	-1.0	-51.09	356.25	7.20	-43.89
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285749	0	48	-1.0	-57.32	385.40	9.21	-48.11
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C1	REAL300008285750	0	42	-1.0	-46.76	370.95	6.71	-40.05
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCC2C2=CC=CC=C2)=C1	REAL300008285750	1	41	-2.0	-97.49	366.73	6.54	-90.95
COC1=CC=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300008285751	0	49	-1.0	-66.90	372.74	8.30	-58.60
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=CC=N1	REAL300008285752	0	44	-1.0	-57.65	368.47	6.28	-51.37
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=NN1	REAL300008285753	0	42	-1.0	-46.63	356.63	4.34	-42.29
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285754	0	45	-1.0	-55.55	361.90	6.49	-49.06
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C1	REAL300008285755	0	45	-1.0	-54.07	359.11	7.09	-46.98
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C1	REAL300008285756	0	48	-1.0	-55.99	364.48	8.20	-47.79
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)S1	REAL300008285757	0	45	-1.0	-50.34	380.19	7.71	-42.63
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285758	0	48	-1.0	-58.69	370.67	9.09	-49.60
O=C([O-])C1=NC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=C2C=CC=CN21	REAL300008285759	0	48	-1.0	-58.64	389.64	7.55	-51.09
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC3CCCCC3C3=CC=CC=C3)=C2C=C1	REAL300008285760	0	48	-1.0	-45.99	389.90	10.15	-35.84
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285761	0	45	-1.0	-52.92	357.42	7.97	-44.95
O=C([O-])C1CCCCN1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285762	0	50	-1.0	-52.87	384.72	8.17	-44.70
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=NN1	REAL300008285763	0	42	-1.0	-46.63	356.63	4.34	-42.29
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285764	0	47	-1.0	-57.40	352.35	7.43	-49.97
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285765	0	42	-1.0	-59.01	339.09	5.80	-53.21
O=C([O-])C1=C(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)C=C(Cl)S1	REAL300008285766	0	42	-1.0	-54.72	353.60	8.33	-46.39
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285767	0	45	-1.0	-57.01	344.67	7.50	-49.51
CC1=CC(S(=O)(=O)NC2CCCCC2C2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300008285768	0	47	-1.0	-51.56	374.07	7.36	-44.20
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285769	0	48	-1.0	-58.69	370.67	9.09	-49.60
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CCCCC3C3=CC=CC=C3)C=C2C1	REAL300008285770	0	52	-1.0	-46.45	395.86	10.13	-36.32
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC1CCCCC1C1=CC=CC=C1	REAL300008285771	0	44	-1.0	-58.75	338.92	7.07	-51.68
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300008285772	0	37	-1.0	-50.13	343.61	5.13	-45.00
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300008285773	0	36	-1.0	-55.58	341.00	6.25	-49.33
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300008285774	0	36	-1.0	-59.63	324.75	6.64	-52.99
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300008285775	0	37	-1.0	-53.61	329.56	5.86	-47.75
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)CC)C=C1	REAL300008285776	0	44	-1.0	-48.67	366.97	8.05	-40.62
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300008285777	0	29	-1.0	-43.54	296.79	5.08	-38.46
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300008285778	0	39	-1.0	-51.99	333.48	6.05	-45.94
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300008285779	0	35	-1.0	-46.15	317.04	6.53	-39.62
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008285780	0	36	-1.0	-51.33	323.07	5.80	-45.53
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008285781	0	38	-1.0	-56.16	348.12	2.96	-53.20
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008285782	0	36	-1.0	-48.71	333.33	5.23	-43.48
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300008285783	0	43	-1.0	-51.10	354.86	5.12	-45.98
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300008285784	0	35	-1.0	-46.49	321.61	6.81	-39.68
C=CCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	REAL300008285785	0	43	-1.0	-48.21	338.13	5.64	-42.57
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300008285786	0	38	-1.0	-52.16	317.06	4.22	-47.94
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008285787	0	48	-1.0	-48.59	390.15	9.27	-39.32
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008285788	0	38	-1.0	-49.72	332.77	4.62	-45.10
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300008285789	0	32	-1.0	-47.80	293.91	5.84	-41.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008285790	0	32	-1.0	-48.89	308.64	6.05	-42.84
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300008285791	0	37	-1.0	-52.08	308.27	6.92	-45.16
C=CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008285792	0	38	-1.0	-49.60	349.17	7.47	-42.13
C=CCN(CCC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008285793	0	42	-1.0	-58.95	370.71	2.04	-56.91
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300008285794	0	43	-1.0	-48.26	370.89	7.31	-40.95
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300008285795	0	35	-1.0	-49.57	316.11	6.20	-43.37
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008285796	0	38	-1.0	-49.29	329.34	5.84	-43.45
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300008285797	0	39	-1.0	-48.88	342.49	5.17	-43.71
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)N=C1	REAL300008285798	0	38	-1.0	-46.60	337.35	3.06	-43.54
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008285799	0	41	-1.0	-60.01	372.45	3.64	-56.37
C=CCN(CCC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300008285800	0	37	-1.0	-62.82	336.41	1.52	-61.30
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300008285801	0	42	-1.0	-48.52	341.80	5.86	-42.66
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008285802	0	37	-1.0	-50.04	343.10	6.11	-43.93
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008285803	0	35	-1.0	-49.87	332.49	6.83	-43.04
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008285804	0	37	-1.0	-49.69	329.23	5.85	-43.84
C=CCN(CCC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300008285805	0	42	-1.0	-55.39	355.96	0.90	-54.49
C=CCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCOCC1	REAL300008285806	0	41	-1.0	-48.34	334.22	3.49	-44.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300008285807	0	41	-1.0	-51.63	355.21	6.69	-44.94
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300008285808	0	41	-1.0	-47.71	345.61	5.33	-42.38
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300008285809	0	38	-1.0	-48.00	333.58	4.57	-43.43
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300008285810	0	41	-1.0	-49.60	352.46	6.69	-42.91
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300008285811	0	38	-1.0	-56.36	334.69	5.95	-50.41
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300008285812	0	38	-1.0	-51.19	333.53	3.97	-47.22
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008285813	0	44	-1.0	-48.68	341.97	8.23	-40.45
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008285814	0	45	-1.0	-55.74	391.89	8.47	-47.27
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008285815	0	40	-1.0	-63.69	354.74	4.88	-58.81
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300008285816	0	40	-1.0	-50.03	359.66	5.35	-44.68
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300008285817	0	35	-1.0	-49.65	327.79	6.66	-42.99
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C	REAL300008285818	0	35	-1.0	-47.81	309.33	6.31	-41.50
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008285819	0	38	-1.0	-48.39	329.55	7.68	-40.71
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008285820	0	37	-1.0	-46.58	343.57	7.48	-39.10
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008285821	0	36	-1.0	-50.00	333.76	5.11	-44.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008285822	0	39	-1.0	-49.73	348.89	7.15	-42.58
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300008285823	0	47	-1.0	-51.16	384.17	6.83	-44.33
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008285824	0	35	-1.0	-48.57	319.61	6.31	-42.26
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300008285825	0	43	-1.0	-53.81	367.13	5.11	-48.70
CCN(CC1CC1)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287001	0	43	-1.0	-58.44	344.84	5.46	-52.98
CC1(C(F)F)CN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1C(=O)[O-]	REAL300008287002	0	46	-1.0	-54.48	380.84	3.77	-50.71
CCCN1C=NC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287003	0	41	-1.0	-57.22	351.00	5.97	-51.25
COCCOCCOCCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287004	0	49	-1.0	-64.80	411.53	2.52	-62.28
CC1(C(F)F)CN(S(=O)(=O)CCOCC2CC2)CC1C(=O)[O-]	REAL300008287005	0	42	-1.0	-55.86	354.84	4.56	-51.30
CC(COC1CCCC1)CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287006	0	51	-1.0	-64.72	403.86	6.56	-58.16
COCC(C)CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287007	0	41	-1.0	-59.70	337.48	3.54	-56.16
CCOCC(C)CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287008	0	44	-1.0	-59.65	359.34	4.52	-55.13
CC1(C(F)F)CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1C(=O)[O-]	REAL300008287009	0	43	-1.0	-54.24	363.16	3.03	-51.21
COC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC=C1[N+](=O)[O-]	REAL300008287010	0	41	-1.0	-56.71	355.42	5.88	-50.83
CC(C)C1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287011	0	44	-1.0	-41.02	349.80	7.14	-33.88
CC1(C(F)F)CN(S(=O)(=O)CCCN2CCOCC2)CC1C(=O)[O-]	REAL300008287012	0	47	-1.0	-54.12	375.70	2.17	-51.95
CCOC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287013	0	42	-1.0	-44.44	357.45	5.52	-38.92
COCCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300008287014	0	42	-1.0	-44.18	363.33	2.84	-41.34
CC(C)(C)CCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287015	0	43	-1.0	-63.05	343.62	5.38	-57.67
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CC1C(=O)[O-]	REAL300008287016	0	42	-1.0	-50.58	368.41	5.81	-44.77
CC1(C(F)F)CN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC1C(=O)[O-]	REAL300008287017	0	43	-1.0	-61.96	377.28	7.42	-54.54
CC1(C(F)F)CN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)CC1C(=O)[O-]	REAL300008287018	0	40	-1.0	-47.22	347.28	5.65	-41.57
CC1CCN(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300008287019	0	40	-1.0	-53.02	328.12	4.16	-48.86
COCC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287020	0	42	-1.0	-49.02	347.31	5.28	-43.74
CC1(C(F)F)CN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1C(=O)[O-]	REAL300008287021	0	38	-1.0	-43.95	349.64	4.34	-39.61
CC1(C(F)F)CN(S(=O)(=O)C2=CN(CC(F)F)N=C2)CC1C(=O)[O-]	REAL300008287022	0	38	-1.0	-46.15	342.65	4.08	-42.07
CC1(C)CC2=CC(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=CC=C2O1	REAL300008287023	0	46	-1.0	-44.61	383.31	6.51	-38.10
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CC1C(=O)[O-]	REAL300008287024	0	38	-1.0	-54.83	343.11	4.33	-50.50
CSC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287025	0	39	-1.0	-44.29	332.40	5.92	-38.37
CCC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287026	0	41	-1.0	-42.89	348.99	6.73	-36.16
CCC1=CC=C(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287027	0	44	-1.0	-59.64	370.45	7.41	-52.23
CC1(C(F)F)CN(S(=O)(=O)CCC2=CC=CS2)CC1C(=O)[O-]	REAL300008287028	0	38	-1.0	-53.16	337.50	5.79	-47.37
CC1=CC=C(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1C	REAL300008287029	0	44	-1.0	-54.02	362.75	7.09	-46.93
CC(C)CN(C)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287030	0	42	-1.0	-46.69	339.32	4.51	-42.18
CCN(C)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287031	0	36	-1.0	-46.30	302.16	3.34	-42.96
CN(C1CCCC1)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287032	0	43	-1.0	-45.55	339.24	5.01	-40.54
CCCN(C)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287033	0	39	-1.0	-46.55	319.53	3.97	-42.58
CC1(C(F)F)CN(S(=O)(=O)N2CCOC(C)(C)C2)CC1C(=O)[O-]	REAL300008287034	0	44	-1.0	-48.66	347.32	3.36	-45.30
CC1=NOC(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287035	0	37	-1.0	-50.12	323.60	4.11	-46.01
CCS(=O)(=O)NCCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287036	0	42	-1.0	-71.15	367.25	-0.05	-71.20
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)OC2=CC=C(F)C=C12	REAL300008287037	0	41	-1.0	-48.26	356.73	6.50	-41.76
CC1(C(F)F)CN(S(=O)(=O)CCC2CCCO2)CC1C(=O)[O-]	REAL300008287038	0	42	-1.0	-47.11	344.84	4.10	-43.01
CC1(C(F)F)CN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1C(=O)[O-]	REAL300008287039	0	46	-1.0	-64.92	384.20	6.54	-58.38
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1N(C)C	REAL300008287040	0	46	-1.0	-57.98	374.51	5.79	-52.19
CC1(C(F)F)CN(S(=O)(=O)C2=C3OCCCN3N=C2)CC1C(=O)[O-]	REAL300008287041	0	40	-1.0	-47.37	339.72	2.22	-45.15
CC1(C(F)F)CN(S(=O)(=O)CCOCC2CCCC2)CC1C(=O)[O-]	REAL300008287042	0	48	-1.0	-55.58	388.21	5.69	-49.89
COC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1Cl	REAL300008287043	0	42	-1.0	-44.34	358.45	5.54	-38.80
CSC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1Cl	REAL300008287044	0	39	-1.0	-56.14	355.12	6.61	-49.53
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287045	0	47	-1.0	-45.23	381.61	5.76	-39.47
COC(C)CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287046	0	38	-1.0	-60.09	320.43	2.97	-57.12
CCC1=NOC2=NC=C(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C12	REAL300008287047	0	42	-1.0	-45.16	367.33	3.00	-42.16
CN1N=CC2=CC(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=CN=C21	REAL300008287048	0	40	-1.0	-43.52	350.04	4.39	-39.13
CC1(C(F)F)CN(S(=O)(=O)C2=CN3CCCCC3=N2)CC1C(=O)[O-]	REAL300008287049	0	42	-1.0	-50.21	351.50	5.35	-44.86
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1F	REAL300008287050	0	42	-1.0	-47.79	347.32	5.04	-42.75
CC1(C(F)F)CN(S(=O)(=O)CC2(C)CCCCC2)CC1C(=O)[O-]	REAL300008287051	0	47	-1.0	-40.41	355.69	6.82	-33.59
CC1(C(F)F)CN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)CC1C(=O)[O-]	REAL300008287052	0	44	-1.0	-54.12	363.54	6.67	-47.45
CC1(C(F)F)CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CC1C(=O)[O-]	REAL300008287053	0	43	-1.0	-51.20	374.57	6.57	-44.63
CN1N=NC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287054	0	34	-1.0	-43.38	296.99	1.68	-41.70
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287055	0	42	-1.0	-42.60	377.49	5.48	-37.12
CC1=CC=C(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(F)=C1	REAL300008287056	0	41	-1.0	-54.06	353.83	6.64	-47.42
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287057	0	47	0.0	-70.41	382.69	7.12	-63.29
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)CC1C(=O)[O-]	REAL300008287058	0	35	-1.0	-49.00	335.02	5.41	-43.59
CC1(C(F)F)CN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300008287059	0	48	-1.0	-49.75	392.11	8.55	-41.20
CC(C)(C)C1=CC(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=NO1	REAL300008287060	0	46	-1.0	-52.87	384.79	5.97	-46.90
CC1(C(F)F)CN(S(=O)(=O)CCC2CCC2)CC1C(=O)[O-]	REAL300008287061	0	41	-1.0	-63.42	336.58	5.76	-57.66
CC(C)(C)CCCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287062	0	46	-1.0	-63.52	365.47	6.15	-57.37
CC1(C(F)F)CN(S(=O)(=O)CC2CCCS(=O)(=O)C2)CC1C(=O)[O-]	REAL300008287063	0	44	-1.0	-73.96	364.20	2.38	-71.58
CC1(C(F)F)CN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1C(=O)[O-]	REAL300008287064	0	38	-1.0	-49.29	339.61	5.73	-43.56
CC1=C(CCS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)SC=N1	REAL300008287065	0	40	-1.0	-49.48	352.58	4.49	-44.99
COCC1(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300008287066	0	39	-1.0	-52.59	316.99	4.51	-48.08
CC1(C(F)F)CN(S(=O)(=O)CC23CCC(CC2)C3)CC1C(=O)[O-]	REAL300008287067	0	45	-1.0	-50.71	350.15	6.56	-44.15
CC1(C(F)F)CN(S(=O)(=O)CC2CC(F)(F)C2)CC1C(=O)[O-]	REAL300008287068	0	38	-1.0	-54.44	327.28	5.16	-49.28
CC1(C(F)F)CN(S(=O)(=O)CC23CCC(CC2)CC3)CC1C(=O)[O-]	REAL300008287069	0	48	-1.0	-43.87	361.66	7.29	-36.58
CC1(C(F)F)CN(S(=O)(=O)CCC2CCOC2)CC1C(=O)[O-]	REAL300008287070	0	42	-1.0	-53.88	341.31	3.70	-50.18
CC(C)(CCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)S(C)(=O)=O	REAL300008287071	0	46	-1.0	-70.05	376.64	2.31	-67.74
CC1(C(F)F)CN(S(=O)(=O)CC2CCCCC2(F)F)CC1C(=O)[O-]	REAL300008287072	0	44	-1.0	-42.31	356.55	6.40	-35.91
CC1(C(F)F)CN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CC1C(=O)[O-]	REAL300008287073	0	42	-1.0	-43.81	356.36	7.39	-36.42
CN1C=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=N1	REAL300008287074	0	35	-1.0	-57.87	306.92	2.76	-55.11
CCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1[N+](=O)[O-]	REAL300008287075	0	43	-1.0	-57.74	362.45	6.97	-50.77
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1C(=O)[O-]	REAL300008287076	0	35	-1.0	-45.39	320.78	5.78	-39.61
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(Br)C=C2)CC1C(=O)[O-]	REAL300008287077	0	35	-1.0	-45.35	325.35	5.89	-39.46
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1C(=O)[O-]	REAL300008287078	0	37	-1.0	-46.63	332.27	5.94	-40.69
CC1(C(F)F)CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC1C(=O)[O-]	REAL300008287079	0	41	-1.0	-58.51	345.84	7.43	-51.08
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1C(=O)[O-]	REAL300008287080	0	37	-1.0	-43.94	334.31	5.97	-37.97
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287081	0	40	-1.0	-49.70	338.75	6.36	-43.34
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287082	0	39	-1.0	-47.23	333.54	4.56	-42.67
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC1C(=O)[O-]	REAL300008287083	0	37	-1.0	-52.42	318.63	6.86	-45.56
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287084	0	38	-1.0	-52.04	323.83	5.89	-46.15
CCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287085	0	42	-1.0	-46.96	355.40	5.49	-41.47
CC1=CC(C)=C(C)C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1C	REAL300008287086	0	47	-1.0	-50.14	359.05	7.61	-42.53
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1	REAL300008287087	0	44	-1.0	-50.47	347.49	7.35	-43.12
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287088	0	50	-1.0	-50.57	386.72	8.02	-42.55
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CC1C(=O)[O-]	REAL300008287089	0	38	-1.0	-41.89	344.98	6.29	-35.60
CC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287090	0	38	-1.0	-43.22	327.33	5.94	-37.28
CC1(C(F)F)CN(S(=O)(=O)C=CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300008287091	0	39	-1.0	-59.24	334.94	6.39	-52.85
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC1C(=O)[O-]	REAL300008287092	0	38	-1.0	-41.37	329.27	6.47	-34.90
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC(Cl)=C2)CC1C(=O)[O-]	REAL300008287093	0	35	-1.0	-57.69	316.64	5.66	-52.03
CC(=O)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287094	0	40	-1.0	-48.57	345.29	5.68	-42.89
CC1=CC=C(C)C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287095	0	41	-1.0	-50.72	331.92	6.36	-44.36
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1C	REAL300008287096	0	41	-1.0	-50.77	337.43	6.31	-44.46
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1	REAL300008287097	0	41	-1.0	-42.13	337.28	6.55	-35.58
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1[N+](=O)[O-]	REAL300008287098	0	41	-1.0	-59.47	355.42	5.88	-53.59
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287099	0	47	-1.0	-41.84	380.49	7.53	-34.31
CC(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287100	0	44	-1.0	-46.81	364.28	7.20	-39.61
CCCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287101	0	44	-1.0	-46.79	368.44	7.49	-39.30
COC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287102	0	39	-1.0	-44.45	328.95	5.03	-39.42
CC1(C(F)F)CN(S(=O)(=O)CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300008287103	0	38	-1.0	-59.71	327.57	5.97	-53.74
CC1=C(C)C(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1C	REAL300008287104	0	50	-1.0	-43.62	374.48	8.15	-35.47
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1C(=O)[O-]	REAL300008287105	0	44	-1.0	-50.04	361.83	5.05	-44.99
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1[N+](=O)[O-]	REAL300008287106	0	40	-1.0	-61.52	344.12	6.33	-55.19
CC1=NNC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287107	0	38	-1.0	-52.25	318.60	3.03	-49.22
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1C(=O)[O-]	REAL300008287108	0	38	-1.0	-50.02	341.16	6.22	-43.80
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CC1C(=O)[O-]	REAL300008287109	0	45	-1.0	-43.57	368.81	7.79	-35.78
COC1=CC=C(OC)C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287110	0	43	-1.0	-53.90	355.80	4.37	-49.53
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1OC	REAL300008287111	0	43	-1.0	-50.82	357.73	4.31	-46.51
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3CCCC3=C2)CC1C(=O)[O-]	REAL300008287112	0	42	-1.0	-51.62	349.23	7.11	-44.51
CC1=NOC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287113	0	37	-1.0	-52.05	315.99	4.18	-47.87
CC1(C(F)F)CN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1C(=O)[O-]	REAL300008287114	0	43	-1.0	-50.66	353.51	7.51	-43.15
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3OCCC3=C2)CC1C(=O)[O-]	REAL300008287115	0	40	-1.0	-51.71	339.59	5.06	-46.65
CC(C)CCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287116	0	50	-1.0	-46.77	407.51	8.77	-38.00
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)CC1C(=O)[O-]	REAL300008287117	0	40	-1.0	-52.92	358.29	0.22	-52.70
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC([N+](=O)[O-])=C1C	REAL300008287118	0	43	-1.0	-43.85	367.18	7.03	-36.82
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1C	REAL300008287119	0	43	-1.0	-48.67	357.48	6.88	-41.79
CC1(C(F)F)CN(S(=O)(=O)N2CCCCCC2)CC1C(=O)[O-]	REAL300008287120	0	43	-1.0	-40.57	339.02	5.39	-35.18
CC1=CC2=CC=CC(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=C2N=C1	REAL300008287121	0	43	-1.0	-53.76	359.95	6.84	-46.92
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C([N+](=O)[O-])=C1	REAL300008287122	0	41	-1.0	-42.37	351.28	6.23	-36.14
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287123	0	39	-1.0	-42.36	346.40	5.70	-36.66
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)CC1C(=O)[O-]	REAL300008287124	0	40	-1.0	-49.94	360.34	0.25	-49.69
CC1(C(F)F)CN(S(=O)(=O)N2CCCCC2)CC1C(=O)[O-]	REAL300008287125	0	40	-1.0	-48.22	318.07	4.30	-43.92
CC1(C(F)F)CN(S(=O)(=O)N2CCCC2)CC1C(=O)[O-]	REAL300008287126	0	37	-1.0	-50.41	304.22	3.51	-46.90
CC1(C(F)F)CN(S(=O)(=O)N2CCC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300008287127	0	44	-1.0	-41.76	361.36	6.51	-35.25
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=CC=CN=C12	REAL300008287128	0	43	-1.0	-52.54	353.58	6.22	-46.32
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1C	REAL300008287129	0	43	-1.0	-52.93	359.20	8.13	-44.80
CC1CCN(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300008287130	0	43	-1.0	-48.33	339.03	4.89	-43.44
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)CC1C(=O)[O-]	REAL300008287131	0	41	-1.0	-52.80	366.80	2.82	-49.98
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CC1C(=O)[O-]	REAL300008287132	0	45	-1.0	-44.42	361.69	8.55	-35.87
CC1CC(C)CN(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300008287133	0	46	-1.0	-48.01	359.74	5.47	-42.54
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CC1C(=O)[O-]	REAL300008287134	0	41	-1.0	-51.46	339.52	7.33	-44.13
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CC1C(=O)[O-]	REAL300008287135	0	45	-1.0	-48.38	378.23	8.68	-39.70
CC1=CC=C(F)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287136	0	38	-1.0	-48.98	316.92	5.75	-43.23
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=NSN=C32)CC1C(=O)[O-]	REAL300008287137	0	36	-1.0	-55.46	326.97	3.55	-51.91
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287138	0	39	-1.0	-50.67	343.02	5.58	-45.09
COC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287139	0	39	-1.0	-44.48	335.59	4.59	-39.89
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287140	0	50	-1.0	-46.76	394.48	8.06	-38.70
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1Cl	REAL300008287141	0	38	-1.0	-50.90	334.47	6.22	-44.68
CC(C)OC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287142	0	45	-1.0	-47.50	373.46	6.13	-41.37
CCC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287143	0	41	-1.0	-42.44	338.06	6.81	-35.63
CC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287144	0	38	-1.0	-41.97	315.87	5.88	-36.09
CC1=NC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CN1C	REAL300008287145	0	38	-1.0	-56.92	326.96	4.16	-52.76
CC1(C(F)F)CN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CC1C(=O)[O-]	REAL300008287146	0	38	-1.0	-65.12	343.53	6.43	-58.69
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=NON=C32)CC1C(=O)[O-]	REAL300008287147	0	36	-1.0	-50.69	319.85	4.12	-46.57
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CC1C(=O)[O-]	REAL300008287148	0	40	-1.0	-53.62	338.55	6.20	-47.42
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287149	0	41	-1.0	-50.43	356.44	5.71	-44.72
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1F	REAL300008287150	0	39	-1.0	-57.26	335.63	4.51	-52.75
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1F	REAL300008287151	0	38	-1.0	-51.58	325.73	5.81	-45.77
CC1=CC=C(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287152	0	41	-1.0	-59.87	348.97	6.64	-53.23
CN1C=NC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287153	0	35	-1.0	-54.92	306.08	4.32	-50.60
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CN=C2)CC1C(=O)[O-]	REAL300008287154	0	34	-1.0	-43.40	300.90	3.49	-39.91
CC1CCCCN1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287155	0	43	-1.0	-40.52	332.79	5.08	-35.44
CC(C)N(C)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287156	0	39	-1.0	-50.30	316.73	3.82	-46.48
CCCN(CCC)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287157	0	45	-1.0	-54.22	362.15	5.59	-48.63
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=CC=CC=C12	REAL300008287158	0	45	-1.0	-53.81	366.72	6.62	-47.19
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287159	0	40	-1.0	-40.07	344.09	6.54	-33.53
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287160	0	40	-1.0	-53.19	331.86	6.11	-47.08
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287161	0	43	-1.0	-53.80	360.46	7.57	-46.23
CC(C)CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287162	0	47	-1.0	-41.88	385.47	7.89	-33.99
COCCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287163	0	45	-1.0	-47.52	380.62	5.78	-41.74
COCCN(CCOC)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287164	0	47	-1.0	-62.84	375.89	3.54	-59.30
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287165	0	38	-1.0	-48.57	327.26	6.21	-42.36
COC1=C(C)C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1C	REAL300008287166	0	45	-1.0	-51.88	377.26	6.09	-45.79
CC(C)COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287167	0	48	-1.0	-41.72	397.22	6.93	-34.79
CCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287168	0	45	-1.0	-46.73	376.89	6.29	-40.44
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1Cl	REAL300008287169	0	39	-1.0	-56.80	345.43	4.99	-51.81
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1C	REAL300008287170	0	42	-1.0	-57.60	349.47	5.18	-52.42
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC=C1OC(C)C	REAL300008287171	0	48	-1.0	-57.08	389.26	6.73	-50.35
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1	REAL300008287172	0	42	-1.0	-51.29	340.27	4.99	-46.30
COCCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287173	0	46	-1.0	-48.73	389.02	4.76	-43.97
CC1(C(F)F)CN(S(=O)(=O)CC2=CC=CC=C2F)CC1C(=O)[O-]	REAL300008287174	0	38	-1.0	-54.84	332.43	5.96	-48.88
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1C	REAL300008287175	0	43	-1.0	-61.81	348.10	7.73	-54.08
CC1=NC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)S1	REAL300008287176	0	37	-1.0	-40.09	333.47	3.77	-36.32
CC1(C(F)F)CN(S(=O)(=O)C2=CSC3=CC=CC=C32)CC1C(=O)[O-]	REAL300008287177	0	38	-1.0	-52.02	334.20	6.38	-45.64
CC1(C(F)F)CN(S(=O)(=O)CC2CCCC2)CC1C(=O)[O-]	REAL300008287178	0	41	-1.0	-62.74	327.81	5.59	-57.15
COC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC=C1F	REAL300008287179	0	39	-1.0	-48.80	334.72	4.48	-44.32
CC1(C(F)F)CN(S(=O)(=O)C2=CSC=C2)CC1C(=O)[O-]	REAL300008287180	0	32	-1.0	-40.38	294.68	4.12	-36.26
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CC1C(=O)[O-]	REAL300008287181	0	45	-1.0	-44.31	377.77	8.63	-35.68
CC1(C(F)F)CN(S(=O)(=O)CC2CCCCC2)CC1C(=O)[O-]	REAL300008287182	0	44	-1.0	-62.61	342.63	6.28	-56.33
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287183	0	43	-1.0	-57.04	360.19	6.89	-50.15
CNC(=O)C1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CN1C	REAL300008287184	0	43	-1.0	-45.96	367.65	2.90	-43.06
COC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1	REAL300008287185	0	45	-1.0	-50.17	355.50	5.96	-44.21
COC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1C	REAL300008287186	0	45	-1.0	-45.72	362.49	5.73	-39.99
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=CC=CN=C2C=C1	REAL300008287187	0	43	-1.0	-54.90	351.74	6.54	-48.36
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1C(=O)[O-]	REAL300008287188	0	40	-1.0	-54.07	334.76	5.56	-48.51
CCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C([N+](=O)[O-])=N1	REAL300008287189	0	40	-1.0	-60.04	345.26	5.59	-54.45
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287190	0	43	-1.0	-67.21	362.99	6.40	-60.81
CN(C1CC1)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287191	0	37	-1.0	-49.28	308.07	3.85	-45.43
CC1(C(F)F)CN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1C(=O)[O-]	REAL300008287192	0	45	-1.0	-45.96	389.55	6.79	-39.17
CC1(C(F)F)CN(S(=O)(=O)C2=CN=C3NC=CC=C23)CC1C(=O)[O-]	REAL300008287193	0	38	-1.0	-67.35	330.63	4.44	-62.91
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287194	0	57	-1.0	-54.45	440.28	8.17	-46.28
CC1=CC=CC(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287195	0	41	-1.0	-64.74	348.21	6.59	-58.15
CC1(C(F)F)CN(S(=O)(=O)CC2=CC=CC(F)=C2)CC1C(=O)[O-]	REAL300008287196	0	38	-1.0	-65.83	333.21	5.99	-59.84
CC1=CC=CC=C1CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287197	0	41	-1.0	-52.79	341.46	6.58	-46.21
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287198	0	45	-1.0	-53.99	369.27	6.66	-47.33
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1C(=O)[O-]	REAL300008287199	0	40	-1.0	-54.26	353.24	5.44	-48.82
CC1(C(F)F)CN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1C(=O)[O-]	REAL300008287200	0	42	-1.0	-53.13	364.25	6.34	-46.79
COCCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287201	0	35	-1.0	-61.07	300.56	1.96	-59.11
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CC1C(=O)[O-]	REAL300008287202	0	45	-1.0	-52.51	358.54	7.98	-44.53
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3COCC3=C2)CC1C(=O)[O-]	REAL300008287203	0	40	-1.0	-52.94	339.70	4.50	-48.44
CC1(C(F)F)CN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1C(=O)[O-]	REAL300008287204	0	43	-1.0	-69.17	363.60	6.40	-62.77
CC1(C(F)F)CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1C(=O)[O-]	REAL300008287205	0	41	-1.0	-57.78	339.42	1.42	-56.36
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1C(=O)[O-]	REAL300008287206	0	40	-1.0	-53.03	351.62	5.39	-47.64
CCOC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1	REAL300008287207	0	45	-1.0	-51.14	362.13	5.91	-45.23
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC=C2OC(F)F)CC1C(=O)[O-]	REAL300008287208	0	39	-1.0	-44.72	338.77	5.30	-39.42
CSC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287209	0	39	-1.0	-46.73	344.25	6.29	-40.44
CCCCCCCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287210	0	46	-1.0	-63.42	374.74	6.80	-56.62
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287211	0	46	-1.0	-60.93	375.41	7.09	-53.84
CCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)N=C1C	REAL300008287212	0	41	-1.0	-49.46	351.26	5.12	-44.34
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=C2OCCO3)CC1C(=O)[O-]	REAL300008287213	0	41	-1.0	-49.40	343.08	4.93	-44.47
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)CC1C(=O)[O-]	REAL300008287214	0	40	-1.0	-49.74	334.60	5.44	-44.30
CC1(C(F)F)CN(S(=O)(=O)CC2CCCO2)CC1C(=O)[O-]	REAL300008287215	0	39	-1.0	-42.95	325.85	3.49	-39.46
CC1(C(F)F)CN(S(=O)(=O)CC2CCCCO2)CC1C(=O)[O-]	REAL300008287216	0	42	-1.0	-41.83	340.97	4.48	-37.35
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1C(=O)[O-]	REAL300008287217	0	44	-1.0	-43.91	368.54	6.83	-37.08
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C12	REAL300008287218	0	43	-1.0	-52.44	369.99	4.94	-47.50
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287219	0	42	-1.0	-64.12	368.60	5.75	-58.37
COCC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287220	0	42	-1.0	-43.65	361.16	5.02	-38.63
CC1(C)CC2=CC=CC(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=C2O1	REAL300008287221	0	46	-1.0	-46.41	382.89	6.51	-39.90
CCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300008287222	0	38	-1.0	-46.40	331.76	3.84	-42.56
CC1(C(F)F)CN(S(=O)(=O)CC2=CC=CC=C2Cl)CC1C(=O)[O-]	REAL300008287223	0	38	-1.0	-53.00	340.59	6.38	-46.62
CC(C1CC1)N(C)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287224	0	43	-1.0	-47.68	343.49	5.09	-42.59
CN1N=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287225	0	35	-1.0	-42.49	302.78	2.90	-39.59
CC1(C(F)F)CN(S(=O)(=O)CC2CCOC2)CC1C(=O)[O-]	REAL300008287226	0	39	-1.0	-60.37	321.62	3.17	-57.20
CC1CC2=CC(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=CC=C2O1	REAL300008287227	0	43	-1.0	-52.79	359.63	5.81	-46.98
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287228	0	47	-1.0	-49.43	354.91	8.02	-41.41
CCCCCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287229	0	40	-1.0	-63.49	331.74	5.24	-58.25
COCCN(C)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287230	0	40	-1.0	-45.38	328.47	2.42	-42.96
CN(CC1CC1)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287231	0	40	-1.0	-58.44	330.32	4.80	-53.64
CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C(F)(F)F)=N1	REAL300008287232	0	38	-1.0	-37.94	346.07	4.00	-33.94
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C(C)O1	REAL300008287233	0	38	-1.0	-45.71	322.49	4.68	-41.03
CC1=CSC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287234	0	35	-1.0	-45.21	316.53	4.89	-40.32
CC1(C(F)F)CN(S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1C(=O)[O-]	REAL300008287235	0	38	-1.0	-55.89	331.83	5.61	-50.28
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3OCOC3=C2)CC1C(=O)[O-]	REAL300008287236	0	38	-1.0	-43.39	329.63	3.87	-39.52
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300008287237	0	38	-1.0	-42.27	330.74	1.91	-40.36
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CO2)CC1C(=O)[O-]	REAL300008287238	0	32	-1.0	-49.33	286.12	3.25	-46.08
CC1(C(F)F)CN(S(=O)(=O)C2=CN=C3CCCN32)CC1C(=O)[O-]	REAL300008287239	0	39	-1.0	-57.71	330.77	4.66	-53.05
CC1(C(F)F)CN(S(=O)(=O)C2=COC=C2)CC1C(=O)[O-]	REAL300008287240	0	32	-1.0	-42.05	288.21	3.15	-38.90
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)SC=C1	REAL300008287241	0	35	-1.0	-43.21	314.95	4.96	-38.25
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3OCCCC3=C2)CC1C(=O)[O-]	REAL300008287242	0	43	-1.0	-44.62	359.79	5.93	-38.69
CC1(C(F)F)CN(S(=O)(=O)C2CC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300008287243	0	42	-1.0	-50.15	348.13	7.12	-43.03
CC1(C(F)F)CN(S(=O)(=O)C2CCOC2)CC1C(=O)[O-]	REAL300008287244	0	36	-1.0	-57.44	297.04	2.29	-55.15
CC1(C(F)F)CN(S(=O)(=O)C2=CNC=N2)CC1C(=O)[O-]	REAL300008287245	0	32	-1.0	-51.37	284.73	2.66	-48.71
CC1=CC=C(N2C=C(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=N2)C=C1	REAL300008287246	0	45	-1.0	-52.93	385.64	7.02	-45.91
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC=C1[N+](=O)[O-]	REAL300008287247	0	40	-1.0	-55.22	344.14	6.32	-48.90
CC1(C(F)F)CN(S(=O)(=O)CCCF)CC1C(=O)[O-]	REAL300008287248	0	34	-1.0	-65.91	295.33	3.82	-62.09
CC1(C(F)F)CN(S(=O)(=O)CCCCF)CC1C(=O)[O-]	REAL300008287249	0	37	-1.0	-64.23	316.83	4.60	-59.63
CC1=NN(C)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287250	0	38	-1.0	-44.83	322.40	3.46	-41.37
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)O1	REAL300008287251	0	35	-1.0	-53.45	306.67	4.03	-49.42
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)N(C)N=C1	REAL300008287252	0	38	-1.0	-42.35	319.98	3.65	-38.70
CC1(C(F)F)CN(S(=O)(=O)C2=CN=C3C=CSC3=C2)CC1C(=O)[O-]	REAL300008287253	0	37	-1.0	-44.27	335.56	4.69	-39.58
CN(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287254	0	43	-1.0	-48.64	356.55	5.69	-42.95
CC1=CC2=CC=C(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C2C=C1	REAL300008287255	0	44	-1.0	-48.54	370.64	8.16	-40.38
COC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)SC=C1	REAL300008287256	0	36	-1.0	-46.67	324.52	4.28	-42.39
C=CCCCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287257	0	38	-1.0	-63.87	323.05	5.02	-58.85
CN(C)C1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287258	0	43	-1.0	-44.74	358.60	5.72	-39.02
CC1(C(F)F)CN(S(=O)(=O)CC2CCC2)CC1C(=O)[O-]	REAL300008287259	0	38	-1.0	-48.59	314.92	5.02	-43.57
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=C2OCC3)CC1C(=O)[O-]	REAL300008287260	0	40	-1.0	-46.42	339.12	5.06	-41.36
CC1(C(F)F)CN(S(=O)(=O)CC2=NOC3=CC=CC=C32)CC1C(=O)[O-]	REAL300008287261	0	40	-1.0	-53.30	350.03	5.28	-48.02
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3CCOC3=C2)CC1C(=O)[O-]	REAL300008287262	0	40	-1.0	-55.39	338.60	5.06	-50.33
CC1(C(F)F)CN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)CC1C(=O)[O-]	REAL300008287263	0	41	-1.0	-58.01	365.79	7.27	-50.74
CN1CCCC2=CC=C(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C21	REAL300008287264	0	47	-1.0	-48.92	377.83	5.77	-43.15
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CC1C(=O)[O-]	REAL300008287265	0	37	-1.0	-42.69	340.41	4.49	-38.20
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287266	0	43	-1.0	-65.89	356.98	5.72	-60.17
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287267	0	43	-1.0	-52.48	354.27	6.83	-45.65
CC1=CC=C(C)C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1[N+](=O)[O-]	REAL300008287268	0	43	-1.0	-64.29	357.53	8.26	-56.03
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1[N+](=O)[O-]	REAL300008287269	0	43	-1.0	-44.27	357.14	6.88	-37.39
COC1=CC=C(CCS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287270	0	45	-1.0	-59.23	378.57	6.05	-53.18
COC1=CN=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287271	0	38	-1.0	-43.41	328.28	2.71	-40.70
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)S1	REAL300008287272	0	44	-1.0	-45.94	375.96	6.87	-39.07
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)CC1C(=O)[O-]	REAL300008287273	0	42	-1.0	-47.62	352.58	7.31	-40.31
COC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC(OC)=C1	REAL300008287274	0	43	-1.0	-46.02	365.09	3.90	-42.12
CC1(C(F)F)CN(S(=O)(=O)CCC2CCCCC2)CC1C(=O)[O-]	REAL300008287275	0	47	-1.0	-52.40	368.06	6.88	-45.52
CC1=CC=C(CCS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287276	0	44	-1.0	-57.95	370.47	7.42	-50.53
CC1=CC2=C(C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)OCO2	REAL300008287277	0	41	-1.0	-41.99	337.46	4.36	-37.63
CC1(C(F)F)CN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CC1C(=O)[O-]	REAL300008287278	0	38	-1.0	-46.92	331.34	5.53	-41.39
COC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC=C1Cl	REAL300008287279	0	39	-1.0	-48.48	344.53	4.96	-43.52
CC1(C(F)F)CN(S(=O)(=O)CCC2CCCC2)CC1C(=O)[O-]	REAL300008287280	0	44	-1.0	-52.50	351.57	6.29	-46.21
CN1C=NC2=CC(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=CC=C21	REAL300008287281	0	41	-1.0	-58.85	351.07	6.56	-52.29
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=NC=CC=C2C=C1	REAL300008287282	0	43	-1.0	-50.23	350.40	6.77	-43.46
CC1=NC2=CC=C(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=C2O1	REAL300008287283	0	40	-1.0	-45.72	347.34	2.89	-42.83
CCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1CC	REAL300008287284	0	47	-1.0	-50.44	376.05	7.67	-42.77
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287285	0	43	-1.0	-48.50	354.29	7.34	-41.16
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287286	0	45	-1.0	-54.96	361.89	6.87	-48.09
CC1=C(C)SC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287287	0	38	-1.0	-52.16	334.28	5.58	-46.58
CC1(C(F)F)CN(S(=O)(=O)C2=CC(Cl)=CN=C2N)CC1C(=O)[O-]	REAL300008287288	0	36	-1.0	-44.47	321.78	3.18	-41.29
CC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)S1	REAL300008287289	0	34	-1.0	-49.15	307.55	2.94	-46.21
CCC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)S1	REAL300008287290	0	37	-1.0	-49.74	333.53	3.80	-45.94
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(N)=NO1	REAL300008287291	0	36	-1.0	-42.44	311.09	2.59	-39.85
CN(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300008287292	0	42	-1.0	-45.51	355.74	5.08	-40.43
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)S1	REAL300008287293	0	38	-1.0	-50.52	331.72	5.56	-44.96
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CC1C(=O)[O-]	REAL300008287294	0	41	-1.0	-46.47	336.87	6.62	-39.85
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=C2OCO3)CC1C(=O)[O-]	REAL300008287295	0	38	-1.0	-44.57	329.71	3.86	-40.71
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC(C)=C1F	REAL300008287296	0	41	-1.0	-49.89	350.70	6.54	-43.35
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1C(=O)[O-]	REAL300008287297	0	42	-1.0	-48.52	360.26	4.96	-43.56
CC1(C(F)F)CN(S(=O)(=O)CCCOCC2=CC=CC=C2)CC1C(=O)[O-]	REAL300008287298	0	48	-1.0	-67.11	404.18	6.76	-60.35
CC1(C(F)F)CN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)CC1C(=O)[O-]	REAL300008287299	0	39	-1.0	-63.30	334.20	5.03	-58.27
CC1(C(F)F)CN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CC1C(=O)[O-]	REAL300008287300	0	37	-1.0	-56.14	332.88	4.72	-51.42
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300008287301	0	37	-1.0	-44.29	322.29	4.08	-40.21
CC1=NC(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CS1	REAL300008287302	0	37	-1.0	-52.26	333.24	3.63	-48.63
COC(CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CC1	REAL300008287303	0	42	-1.0	-49.50	344.80	4.75	-44.75
CC1(C(F)F)CN(S(=O)(=O)CC2=CC=C(Cl)C=C2)CC1C(=O)[O-]	REAL300008287304	0	38	-1.0	-48.34	343.84	6.49	-41.85
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC=C1Cl	REAL300008287305	0	38	-1.0	-55.47	335.37	6.23	-49.24
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC1C(=O)[O-]	REAL300008287306	0	41	-1.0	-48.10	351.69	6.19	-41.91
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=C2OCCC3)CC1C(=O)[O-]	REAL300008287307	0	43	-1.0	-52.53	350.41	6.44	-46.09
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)CC1C(=O)[O-]	REAL300008287308	0	44	-1.0	-54.23	362.22	5.66	-48.57
CC1(C(F)F)CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1C(=O)[O-]	REAL300008287309	0	38	-1.0	-61.74	343.49	6.40	-55.34
CCC1(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300008287310	0	38	-1.0	-38.32	308.33	5.50	-32.82
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287311	0	48	-1.0	-43.29	395.64	6.94	-36.35
COC(CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CCCC1	REAL300008287312	0	48	-1.0	-48.14	376.15	5.63	-42.51
COC(CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CCCCC1	REAL300008287313	0	51	-1.0	-47.38	394.58	6.26	-41.12
CC1(C)CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CO1	REAL300008287314	0	42	-1.0	-46.99	341.49	3.76	-43.23
CCOC(CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C1CC1	REAL300008287315	0	45	-1.0	-50.31	366.08	5.49	-44.82
CCC1=NC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CN1CC1CC1	REAL300008287316	0	48	-1.0	-51.17	399.86	7.07	-44.10
CC1(C(F)F)CN(S(=O)(=O)C2=CN=C(C3CC3)S2)CC1C(=O)[O-]	REAL300008287317	0	38	-1.0	-50.14	343.26	4.72	-45.42
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1[N+](=O)[O-]	REAL300008287318	0	43	-1.0	-49.59	361.33	7.25	-42.34
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287319	0	42	-1.0	-49.91	349.06	5.15	-44.76
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287320	0	38	-1.0	-44.94	343.80	3.90	-41.04
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CC1C(=O)[O-]	REAL300008287321	0	45	-1.0	-47.75	363.10	8.30	-39.45
CCC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C(C)C=C1OC	REAL300008287322	0	48	-1.0	-45.49	383.87	6.47	-39.02
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=N1	REAL300008287323	0	37	-1.0	-50.27	332.76	4.28	-45.99
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=CC=CC=C2C=C1	REAL300008287324	0	44	-1.0	-49.71	356.87	8.43	-41.28
CC(C)OC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300008287325	0	44	-1.0	-41.34	374.85	3.81	-37.53
COC1=C(F)C=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287326	0	39	-1.0	-55.99	330.68	5.36	-50.63
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1F	REAL300008287327	0	47	-1.0	-51.01	377.23	7.36	-43.65
CN1N=C2CCCCC2=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287328	0	45	-1.0	-51.57	361.88	5.23	-46.34
CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C(C)(C)C)=N1	REAL300008287329	0	47	-1.0	-39.89	375.97	5.63	-34.26
CC1(C(F)F)CN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)CC1C(=O)[O-]	REAL300008287330	0	45	-1.0	-43.98	371.06	5.58	-38.40
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287331	0	38	-1.0	-41.09	333.68	3.94	-37.15
COC1=CC=C(F)C=C1CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287332	0	42	-1.0	-64.59	358.28	5.29	-59.30
C=CCCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287333	0	45	-1.0	-46.88	381.25	8.05	-38.83
CCC1=NN(C)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287334	0	41	-1.0	-53.54	342.75	4.02	-49.52
CC1(C(F)F)CN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)CC1C(=O)[O-]	REAL300008287335	0	39	-1.0	-47.02	352.06	6.96	-40.06
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287336	0	41	-1.0	-48.15	342.80	7.19	-40.96
CC1(C(F)F)CN(S(=O)(=O)CCCC2CC2)CC1C(=O)[O-]	REAL300008287337	0	41	-1.0	-47.69	341.80	6.08	-41.61
CC1(C(F)F)CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)CC1C(=O)[O-]	REAL300008287338	0	39	-1.0	-61.11	349.16	6.82	-54.29
CCCC1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287339	0	44	-1.0	-51.96	355.80	7.76	-44.20
COC1=NC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287340	0	38	-1.0	-45.05	325.90	2.53	-42.52
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)CC1C(=O)[O-]	REAL300008287341	0	40	-1.0	-60.54	333.55	5.43	-55.11
CC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)N1C	REAL300008287342	0	38	-1.0	-51.09	322.55	4.20	-46.89
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC=N2)CC1C(=O)[O-]	REAL300008287343	0	34	-1.0	-52.08	301.56	3.34	-48.74
CC1=CSC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287344	0	38	-1.0	-47.89	322.73	5.75	-42.14
CC1(C(F)F)CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)CC1C(=O)[O-]	REAL300008287345	0	42	-1.0	-45.32	355.58	4.95	-40.37
CC1(C(F)F)CN(S(=O)(=O)C2=CC=NN2C2CCC2)CC1C(=O)[O-]	REAL300008287346	0	42	-1.0	-42.69	351.25	5.08	-37.61
CC1(C(F)F)CN(S(=O)(=O)C2=CC=NN2CC2CCC2)CC1C(=O)[O-]	REAL300008287347	0	45	-1.0	-51.26	371.20	5.70	-45.56
CC1(C(F)F)CN(S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)CC1C(=O)[O-]	REAL300008287348	0	46	-1.0	-55.12	375.60	3.27	-51.85
CC1(C(F)F)CN(S(=O)(=O)C2=CN=C3CCCCN23)CC1C(=O)[O-]	REAL300008287349	0	42	-1.0	-46.83	347.24	5.43	-41.40
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287350	0	45	-1.0	-51.75	372.69	6.71	-45.04
CC1CC2=CC=CC(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=C2O1	REAL300008287351	0	43	-1.0	-56.56	358.89	5.83	-50.73
CC(C)(C)C1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)S1	REAL300008287352	0	43	-1.0	-46.76	372.10	4.92	-41.84
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287353	0	40	-1.0	-53.76	345.31	4.80	-48.96
CCN1N=NC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287354	0	37	-1.0	-53.40	316.72	2.56	-50.84
CC1(C(F)F)CN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1C(=O)[O-]	REAL300008287355	0	44	-1.0	-58.05	345.13	5.10	-52.95
CC1(C(F)F)CN(S(=O)(=O)C2=CC3=NON=C3C=C2)CC1C(=O)[O-]	REAL300008287356	0	36	-1.0	-40.57	318.46	4.01	-36.56
CC1(C(F)F)CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)CC1C(=O)[O-]	REAL300008287357	0	38	-1.0	-53.22	341.64	6.65	-46.57
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287358	0	42	-1.0	-53.47	353.37	4.98	-48.49
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1F	REAL300008287359	0	44	-1.0	-44.10	353.32	7.36	-36.74
COC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1OC	REAL300008287360	0	43	-1.0	-57.76	353.69	5.10	-52.66
CC1(C(F)F)CN(S(=O)(=O)C2=COC3=CC=CC=C32)CC1C(=O)[O-]	REAL300008287361	0	38	-1.0	-55.11	328.81	5.38	-49.73
CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C2CCCC2)=N1	REAL300008287362	0	48	-1.0	-45.56	384.33	5.79	-39.77
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287363	0	47	-1.0	-45.46	382.49	5.83	-39.63
CCCCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=N1	REAL300008287364	0	47	-1.0	-44.76	388.18	5.87	-38.89
CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C2CC2)=N1	REAL300008287365	0	42	-1.0	-51.80	348.68	4.76	-47.04
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)CC1C(=O)[O-]	REAL300008287366	0	39	-1.0	-49.85	343.29	4.85	-45.00
CN1N=NC2=C(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)C=CC=C21	REAL300008287367	0	40	-1.0	-54.55	347.69	3.64	-50.91
CC1(C(F)F)CN(S(=O)(=O)N2CCCC(C)(C)C2)CC1C(=O)[O-]	REAL300008287368	0	46	-1.0	-41.07	358.72	5.61	-35.46
CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C2CCC2)=N1	REAL300008287369	0	45	-1.0	-44.62	366.65	5.33	-39.29
CC1(C(F)F)CN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)CC1C(=O)[O-]	REAL300008287370	0	45	-1.0	-50.90	377.64	5.87	-45.03
CC1(C(F)F)CN(S(=O)(=O)C2=C(C3CC3)C=CS2)CC1C(=O)[O-]	REAL300008287371	0	39	-1.0	-52.60	341.81	6.32	-46.28
CCCC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287372	0	44	-1.0	-42.73	370.49	7.51	-35.22
CN1N=C2CCCC2=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287373	0	42	-1.0	-44.66	348.79	4.73	-39.93
CC1(C(F)F)CN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)CC1C(=O)[O-]	REAL300008287374	0	41	-1.0	-42.17	334.40	4.72	-37.45
CC1=CC=CC(C)=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287375	0	41	-1.0	-45.50	329.24	6.70	-38.80
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287376	0	44	-1.0	-41.07	353.06	4.96	-36.11
CC(C)(C)N1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300008287377	0	44	-1.0	-51.24	368.18	4.94	-46.30
CC1(C(F)F)CN(S(=O)(=O)C2=CNN=C2C2CCC2)CC1C(=O)[O-]	REAL300008287378	0	42	-1.0	-51.80	341.73	3.97	-47.83
CC1=NN(C)C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287379	0	38	-1.0	-46.46	325.94	3.35	-43.11
CC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1C	REAL300008287380	0	41	-1.0	-51.20	330.41	6.25	-44.95
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287381	0	46	-1.0	-66.95	384.49	7.17	-59.78
CC1(C(F)F)CN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)CC1C(=O)[O-]	REAL300008287382	0	46	-1.0	-55.12	372.47	8.31	-46.81
CC1(C(F)F)CN(S(=O)(=O)N2CC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300008287383	0	41	-1.0	-46.62	346.70	5.67	-40.95
CN(C1CCC1)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287384	0	40	-1.0	-58.28	320.57	4.27	-54.01
CC1(C(F)F)CN(S(=O)(=O)CC2=NOC3=C2COCC3)CC1C(=O)[O-]	REAL300008287385	0	42	-1.0	-64.85	353.02	3.50	-61.35
CC1(C(F)F)CN(C(=O)N2CCC(F)(F)CC2)CC1C(=O)[O-]	REAL300008287386	0	39	-1.0	-50.48	308.58	7.05	-43.43
CC1(C(F)F)CN(S(=O)(=O)C2=CSC=C2C(F)(F)F)CC1C(=O)[O-]	REAL300008287387	0	35	-1.0	-41.12	323.88	5.35	-35.77
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)CC1C(=O)[O-]	REAL300008287388	0	42	-1.0	-43.20	355.32	7.40	-35.80
COC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=CS1	REAL300008287389	0	36	-1.0	-52.90	321.34	3.74	-49.16
CC1(C(F)F)CN(S(=O)(=O)C2=CC=NN2C2CCCC2)CC1C(=O)[O-]	REAL300008287390	0	45	-1.0	-41.06	368.97	5.85	-35.21
CCC(C)N1N=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287391	0	44	-1.0	-42.26	364.88	5.05	-37.21
CN(C(C)(C)C)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287392	0	42	-1.0	-58.81	321.72	4.17	-54.64
CCC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)O1	REAL300008287393	0	38	-1.0	-44.61	331.81	4.91	-39.70
CN(C1CCCCCC1)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287394	0	49	-1.0	-45.59	372.37	6.21	-39.38
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287395	0	41	-1.0	-41.54	359.30	6.83	-34.71
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)CC1C(=O)[O-]	REAL300008287396	0	39	-1.0	-59.01	339.17	4.72	-54.29
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)S1	REAL300008287397	0	36	-1.0	-51.16	326.24	3.67	-47.49
CC1=CC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=NC=CC=C12	REAL300008287398	0	46	-1.0	-59.78	372.04	7.41	-52.37
CC1(C(F)F)CN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CC1C(=O)[O-]	REAL300008287399	0	43	-1.0	-50.41	355.59	5.19	-45.22
CC1(C(F)F)CN(S(=O)(=O)C2=CN(CCF)N=C2)CC1C(=O)[O-]	REAL300008287400	0	38	-1.0	-43.62	336.25	3.93	-39.69
CCOCC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287401	0	45	-1.0	-43.65	383.02	5.98	-37.67
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287402	0	45	-1.0	-49.76	382.01	6.26	-43.50
CC1(C(F)F)CN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)CC1C(=O)[O-]	REAL300008287403	0	48	-1.0	-44.70	392.09	6.22	-38.48
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC=C2CF)CC1C(=O)[O-]	REAL300008287404	0	38	-1.0	-53.17	318.18	5.81	-47.36
CC1=CN=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287405	0	37	-1.0	-43.08	320.15	4.09	-38.99
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=CC=CC=C12	REAL300008287406	0	44	-1.0	-54.55	356.11	7.81	-46.74
CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C2=CC=CC=C2)=N1	REAL300008287407	0	45	-1.0	-45.37	375.73	6.37	-39.00
CC1(C(F)F)CN(S(=O)(=O)N2CC3CC2C3)CC1C(=O)[O-]	REAL300008287408	0	38	-1.0	-42.34	317.41	4.17	-38.17
CC1(C(F)F)CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CC1C(=O)[O-]	REAL300008287409	0	39	-1.0	-52.02	340.41	6.45	-45.57
CCOCCCS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287410	0	41	-1.0	-65.31	344.27	3.71	-61.60
CC1(C(F)F)CN(S(=O)(=O)CCC2NC(=O)NC2=O)CC1C(=O)[O-]	REAL300008287411	0	40	-1.0	-72.26	343.80	-0.96	-73.22
CC1(C(F)F)CN(S(=O)(=O)C2=CN=C3C=CC=CN32)CC1C(=O)[O-]	REAL300008287412	0	38	-1.0	-52.83	328.46	5.63	-47.20
CC1(C(F)F)CN(S(=O)(=O)C2CCC(F)(F)CC2)CC1C(=O)[O-]	REAL300008287413	0	41	-1.0	-49.63	333.23	5.60	-44.03
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C3SC=NC3=C2)CC1C(=O)[O-]	REAL300008287414	0	37	-1.0	-53.83	333.74	4.61	-49.22
CC1(C(F)F)CN(S(=O)(=O)CCOC2CCOC2)CC1C(=O)[O-]	REAL300008287415	0	43	-1.0	-52.78	356.82	2.39	-50.39
CC1(C(F)F)CN(S(=O)(=O)CC2COCCO2)CC1C(=O)[O-]	REAL300008287416	0	40	-1.0	-42.99	334.23	2.67	-40.32
CC1(C(F)F)CN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CC1C(=O)[O-]	REAL300008287417	0	52	-1.0	-53.79	384.20	8.18	-45.61
CC1(C(F)F)CN(S(=O)(=O)CCN2C=NN=N2)CC1C(=O)[O-]	REAL300008287418	0	36	-1.0	-60.94	316.80	3.07	-57.87
CC1(C)COC(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C1	REAL300008287419	0	45	-1.0	-50.05	363.13	4.47	-45.58
CC1(C(F)F)CN(S(=O)(=O)CC2CS(=O)(=O)C2)CC1C(=O)[O-]	REAL300008287420	0	38	-1.0	-55.57	334.35	0.94	-54.63
CC(C)(CS(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1)C(C)(F)F	REAL300008287421	0	43	-1.0	-55.58	342.46	5.70	-49.88
CC1(C(F)F)CN(S(=O)(=O)CCCCS(C)(=O)=O)CC1C(=O)[O-]	REAL300008287422	0	43	-1.0	-73.29	373.88	2.01	-71.28
CC1(C(F)F)CN(S(=O)(=O)CC2CCC(C)(C)CO2)CC1C(=O)[O-]	REAL300008287423	0	48	-1.0	-42.02	380.57	5.44	-36.58
CC1(C(F)F)CN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CC1C(=O)[O-]	REAL300008287424	0	45	-1.0	-48.97	369.85	7.39	-41.58
CC1(C(F)F)CN(S(=O)(=O)CC2=CC=CC3=NSN=C32)CC1C(=O)[O-]	REAL300008287425	0	39	-1.0	-68.70	347.91	4.20	-64.50
CC1(C(F)F)CN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CC1C(=O)[O-]	REAL300008287426	0	44	-1.0	-53.58	351.69	2.51	-51.07
COCCC1(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)CC1	REAL300008287427	0	42	-1.0	-48.97	338.45	4.16	-44.81
CCN1N=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=N1	REAL300008287428	0	37	-1.0	-45.31	326.43	2.17	-43.14
CC1(C(F)F)CN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CC1C(=O)[O-]	REAL300008287429	0	48	-1.0	-51.92	370.93	7.23	-44.69
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(C3CC3)S2)CC1C(=O)[O-]	REAL300008287430	0	39	-1.0	-51.94	346.26	6.54	-45.40
COC1=CC=C(C=C(C)S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1	REAL300008287431	0	46	-1.0	-55.22	381.29	6.32	-48.90
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287432	0	40	-1.0	-47.67	327.71	1.98	-45.69
CC1=COC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287433	0	35	-1.0	-44.27	310.30	3.98	-40.29
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)O1	REAL300008287434	0	35	-1.0	-53.45	306.67	4.03	-49.42
CCC1=NNC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287435	0	38	-1.0	-44.20	319.39	2.76	-41.44
COC1=CSC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1OC	REAL300008287436	0	40	-1.0	-47.68	353.11	3.72	-43.96
CC1(C(F)F)CN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1C(=O)[O-]	REAL300008287437	0	47	-1.0	-57.35	360.06	5.63	-51.72
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287438	0	46	-1.0	-60.77	378.15	6.94	-53.83
COC1=CC(F)=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(F)=C1	REAL300008287439	0	39	-1.0	-43.23	341.08	4.80	-38.43
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287440	0	41	-1.0	-51.58	348.36	5.28	-46.30
CN1C=CC2=CC(S(=O)(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=CC=C21	REAL300008287441	0	42	-1.0	-56.33	356.50	6.99	-49.34
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287442	0	41	-1.0	-59.58	342.24	7.05	-52.53
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287443	0	46	-1.0	-44.76	389.73	6.92	-37.84
CCN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C2CC2)=N1	REAL300008287444	0	45	-1.0	-53.53	375.01	5.83	-47.70
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=NSN=C2C=C1	REAL300008287445	0	39	-1.0	-52.89	335.77	4.31	-48.58
CC1(C(F)F)CN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)CC1C(=O)[O-]	REAL300008287446	0	34	-1.0	-56.46	329.41	3.22	-53.24
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287447	0	48	-1.0	-48.53	391.69	6.47	-42.06
CC1(C(F)F)CN(S(=O)(=O)C2=C(Cl)OC=C2)CC1C(=O)[O-]	REAL300008287448	0	32	-1.0	-42.77	301.65	3.68	-39.09
CC1(C(F)F)CN(S(=O)(=O)C2=CC(Cl)=CS2)CC1C(=O)[O-]	REAL300008287449	0	32	-1.0	-42.93	311.78	4.74	-38.19
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287450	0	43	-1.0	-44.79	354.82	3.00	-41.79
CC1(C(F)F)CN(S(=O)(=O)C2=CC=CC=C2C2CC2)CC1C(=O)[O-]	REAL300008287451	0	42	-1.0	-46.98	335.44	6.87	-40.11
CC1(C(F)F)CN(S(=O)(=O)N2CCC(C)(C)CC2)CC1C(=O)[O-]	REAL300008287452	0	46	-1.0	-48.51	358.56	5.35	-43.16
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287453	0	38	-1.0	-49.39	341.86	2.96	-46.43
COC1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=C1C	REAL300008287454	0	41	-1.0	-43.00	353.41	2.70	-40.30
CC(C)CN1C=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=N1	REAL300008287455	0	44	-1.0	-46.24	373.08	5.38	-40.86
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287456	0	44	-1.0	-44.93	363.86	4.84	-40.09
CC1(C(F)F)CN(S(=O)(=O)N2CCN(CC(F)F)CC2)CC1C(=O)[O-]	REAL300008287457	0	45	-1.0	-42.18	369.21	3.05	-39.13
COCC1=CC(CS(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=NO1	REAL300008287458	0	41	-1.0	-54.59	357.26	3.11	-51.48
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)N=C1	REAL300008287459	0	46	-1.0	-55.98	375.92	5.61	-50.37
CC(C)N1N=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287460	0	41	-1.0	-43.53	347.63	4.53	-39.00
CC1(C(F)F)CN(S(=O)(=O)C2=CC=NN2CC2CC2)CC1C(=O)[O-]	REAL300008287461	0	42	-1.0	-49.33	349.05	5.45	-43.88
CC1(C(F)F)CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CC1C(=O)[O-]	REAL300008287462	0	42	-1.0	-46.16	358.57	6.20	-39.96
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)CC1C(=O)[O-]	REAL300008287463	0	37	-1.0	-52.15	333.58	4.23	-47.92
CC1(C(F)F)CN(S(=O)(=O)N2CCC3=CC=CN=C32)CC1C(=O)[O-]	REAL300008287464	0	40	-1.0	-59.98	338.84	5.63	-54.35
CC1=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C=NN1C(C)C	REAL300008287465	0	44	-1.0	-46.22	361.94	4.91	-41.31
CC1(C(F)F)CN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)CC1C(=O)[O-]	REAL300008287466	0	40	-1.0	-54.00	338.58	5.66	-48.34
CC1=CN=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C)=C1	REAL300008287467	0	40	-1.0	-50.11	333.43	4.71	-45.40
CC1=CN=CC=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287468	0	37	-1.0	-48.83	304.14	3.87	-44.96
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287469	0	43	-1.0	-69.43	361.30	1.01	-68.42
CC1(C(F)F)CN(S(=O)(=O)N2CC3CCC(C2)O3)CC1C(=O)[O-]	REAL300008287470	0	42	-1.0	-51.17	325.53	3.04	-48.13
CC1(C(F)F)CN(S(=O)(=O)N2CCC(C#N)CC2)CC1C(=O)[O-]	REAL300008287471	0	41	-1.0	-54.43	338.26	4.57	-49.86
COC1=CC=NC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287472	0	38	-1.0	-46.83	331.30	2.73	-44.10
C=CCN(CC=C)S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287473	0	41	-1.0	-53.67	344.83	5.19	-48.48
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(C(F)F)=C1	REAL300008287474	0	42	-1.0	-47.50	355.84	5.91	-41.59
COC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)N=C1	REAL300008287475	0	38	-1.0	-50.85	328.92	2.59	-48.26
CC1=CC=CN=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287476	0	37	-1.0	-50.79	315.44	4.12	-46.67
CC1(C(F)F)CN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)CC1C(=O)[O-]	REAL300008287477	0	40	-1.0	-50.72	329.17	5.18	-45.54
CCOC1=CC=CN=C1S(=O)(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300008287478	0	41	-1.0	-53.82	348.81	4.35	-49.47
CC1=CC=C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C2=NC=CC=C12	REAL300008287479	0	43	-1.0	-59.67	355.82	6.71	-52.96
CC1=CC(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC=N1	REAL300008287480	0	37	-1.0	-56.21	316.68	3.99	-52.22
CC1(C(F)F)CN(S(=O)(=O)C2=CNC3=CC=CC=C32)CC1C(=O)[O-]	REAL300008287481	0	39	-1.0	-57.54	333.49	5.05	-52.49
CC1(C(F)F)CN(S(=O)(=O)N2CCC(F)(F)C2)CC1C(=O)[O-]	REAL300008287482	0	37	-1.0	-44.03	322.99	3.80	-40.23
CC1(C(F)F)CN(S(=O)(=O)C2=CN=CS2)CC1C(=O)[O-]	REAL300008287483	0	31	-1.0	-42.64	292.50	2.40	-40.24
CC1(C(F)F)CN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)CC1C(=O)[O-]	REAL300008287484	0	37	-1.0	-44.50	334.05	4.30	-40.20
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300008287485	0	48	-1.0	-54.44	387.84	7.31	-47.13
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008287486	0	44	-1.0	-46.84	364.85	8.89	-37.95
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008287487	0	44	-1.0	-54.84	377.61	8.84	-46.00
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008287488	0	47	-1.0	-64.32	377.00	9.52	-54.80
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008287489	0	47	-1.0	-50.45	378.27	9.55	-40.90
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008287490	0	41	-1.0	-45.31	345.78	8.36	-36.95
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008287491	0	44	-1.0	-54.84	377.61	8.84	-46.00
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008287492	0	44	-1.0	-46.84	364.85	8.89	-37.95
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008287493	0	44	-1.0	-75.47	354.60	9.97	-65.50
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008287494	0	42	-1.0	-48.45	352.61	6.64	-41.81
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008287495	0	44	-1.0	-48.97	369.89	6.95	-42.02
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008287496	0	41	-1.0	-52.45	369.87	7.97	-44.48
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008287497	0	41	-1.0	-48.88	340.21	5.71	-43.17
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008287498	0	44	-1.0	-75.47	354.60	9.97	-65.50
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008287499	0	41	-1.0	-56.49	342.70	7.30	-49.19
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008287500	0	44	-1.0	-48.15	371.09	7.93	-40.22
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008287501	0	47	-1.0	-67.00	400.78	9.59	-57.41
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008287502	0	41	-1.0	-56.49	342.70	7.30	-49.19
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008287503	0	41	-1.0	-52.49	370.77	7.87	-44.62
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008287504	0	47	-1.0	-79.62	379.50	10.13	-69.49
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008287505	0	41	-1.0	-53.51	368.59	7.86	-45.65
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008287506	0	47	-1.0	-51.30	374.73	9.41	-41.89
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008287507	0	47	-1.0	-47.29	387.03	9.68	-37.61
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008287508	0	41	-1.0	-47.48	353.16	7.21	-40.27
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008287509	0	47	-1.0	-55.66	399.78	9.62	-46.04
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008287510	0	44	-1.0	-54.03	356.69	7.46	-46.57
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008287511	0	43	-1.0	-44.61	360.78	7.14	-37.47
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008287512	0	40	-1.0	-77.44	343.09	7.10	-70.34
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008287513	0	40	-1.0	-51.59	334.47	6.47	-45.12
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008287514	0	43	-1.0	-74.26	356.19	8.03	-66.23
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008287515	0	49	-1.0	-56.50	399.07	8.99	-47.51
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008287516	0	43	-1.0	-48.96	359.77	7.08	-41.88
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008287517	0	47	-1.0	-45.98	382.94	9.52	-36.46
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008287518	0	47	-1.0	-50.45	378.27	9.55	-40.90
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008287519	0	47	-1.0	-64.32	377.00	9.52	-54.80
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008287520	0	47	-1.0	-49.21	379.86	8.67	-40.54
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008287521	0	47	-1.0	-55.66	399.78	9.62	-46.04
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008287522	0	46	-1.0	-51.80	370.08	7.61	-44.19
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008287523	0	44	-1.0	-55.95	349.68	6.46	-49.49
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008287524	0	44	-1.0	-48.07	370.56	8.05	-40.02
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008287525	0	41	-1.0	-49.66	339.64	7.70	-41.96
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008287526	0	41	-1.0	-48.88	340.21	5.71	-43.17
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008287527	0	44	-1.0	-55.95	349.68	6.46	-49.49
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008287528	0	41	-1.0	-49.11	341.58	5.19	-43.92
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008287529	0	44	-1.0	-57.76	365.44	6.77	-50.99
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008287530	0	47	-1.0	-76.64	377.03	10.00	-66.64
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008287531	0	44	-1.0	-59.32	370.89	8.10	-51.22
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008287532	0	41	-1.0	-49.11	341.58	5.19	-43.92
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008287533	0	44	-1.0	-62.30	354.77	8.73	-53.57
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008287534	0	46	-1.0	-55.18	371.17	7.61	-47.57
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008287535	0	47	-1.0	-76.64	377.03	10.00	-66.64
CCN(C(C)CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008287536	0	43	-1.0	-45.10	351.63	7.36	-37.74
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1	REAL300008287537	0	38	-1.0	-56.85	329.89	6.22	-50.63
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=C1	REAL300008287538	0	38	-1.0	-59.93	329.93	6.18	-53.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287539	0	41	-1.0	-61.24	335.76	6.57	-54.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287540	0	42	-1.0	-60.74	352.15	6.07	-54.67
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CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1[N+](=O)[O-]	REAL300008287572	0	43	-1.0	-50.25	368.12	7.23	-43.02
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COC1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1C(=O)[O-]	REAL300008287583	0	42	-1.0	-65.57	357.18	6.28	-59.29
CC1=CC(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=CC=C1C(=O)[O-]	REAL300008287584	0	41	-1.0	-56.29	345.88	6.75	-49.54
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CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCC(C4=CC=NO4)CC3)C=C12	REAL300008287591	0	44	-1.0	-58.55	376.81	7.54	-51.01
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1	REAL300008287592	0	41	-1.0	-64.16	353.24	6.96	-57.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287593	0	42	-1.0	-60.74	352.15	6.07	-54.67
CC1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1C(=O)[O-]	REAL300008287594	0	41	-1.0	-59.31	345.93	6.73	-52.58
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CCC1=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C(C(=O)[O-])O1	REAL300008287602	0	41	-1.0	-59.85	344.62	5.78	-54.07
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O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287605	0	40	-1.0	-54.62	343.03	7.83	-46.79
CC1=NC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1C(=O)[O-]	REAL300008287606	0	40	-1.0	-54.09	341.36	4.92	-49.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287607	0	42	-1.0	-56.43	352.18	6.09	-50.34
COC1=CC(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=CC=C1C(=O)[O-]	REAL300008287608	0	42	-1.0	-62.50	357.20	6.27	-56.23
COC1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C(CC(=O)[O-])=C1	REAL300008287609	0	45	-1.0	-64.48	366.62	6.53	-57.95
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1F	REAL300008287610	0	41	-1.0	-57.05	357.51	7.00	-50.05
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1	REAL300008287611	0	47	-1.0	-55.78	384.80	7.88	-47.90
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287612	0	38	-1.0	-57.65	319.90	4.56	-53.09
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCC(C4=CC=NO4)CC3)C=CC=C12	REAL300008287613	0	44	-1.0	-58.06	359.90	8.38	-49.68
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=C1	REAL300008287614	0	38	-1.0	-59.33	332.66	5.15	-54.18
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=CC=C1Cl	REAL300008287615	0	38	-1.0	-58.00	342.40	6.60	-51.40
O=C([O-])C1=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)OC=C1	REAL300008287616	0	35	-1.0	-64.02	311.24	4.61	-59.41
O=C([O-])C1(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)CCC1	REAL300008287617	0	38	-1.0	-47.70	303.32	4.93	-42.77
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=C1	REAL300008287618	0	42	-1.0	-64.92	344.24	6.48	-58.44
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CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287620	0	38	-1.0	-57.65	319.90	4.56	-53.09
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1C(=O)[O-]	REAL300008287621	0	40	-2.0	-148.55	356.78	7.16	-141.39
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287622	0	45	-1.0	-58.57	369.18	5.90	-52.67
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=C1	REAL300008287623	0	37	-1.0	-54.78	326.81	4.29	-50.49
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287624	0	41	-1.0	-61.43	342.95	7.36	-54.07
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=C1	REAL300008287625	0	35	-1.0	-54.66	329.60	4.84	-49.82
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C2=CC=CC=C12	REAL300008287626	0	44	-1.0	-59.06	359.43	8.39	-50.67
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287627	0	45	-1.0	-59.08	375.71	6.97	-52.11
COC1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C(C(=O)[O-])=C1	REAL300008287628	0	42	-1.0	-67.13	344.31	6.46	-60.67
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CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)S1	REAL300008287635	0	38	-1.0	-57.26	341.15	5.92	-51.34
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O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCC(C4=CC=NO4)CC3)=C2C=C1	REAL300008287640	0	41	-1.0	-50.59	357.96	7.41	-43.18
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287641	0	38	-1.0	-57.50	326.59	5.55	-51.95
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287642	0	43	-1.0	-55.33	333.64	5.99	-49.34
O=C([O-])C1=CC(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=NN1	REAL300008287643	0	35	-1.0	-51.24	313.54	2.45	-48.79
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287644	0	40	-1.0	-61.26	329.64	5.34	-55.92
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287645	0	35	-1.0	-61.44	307.24	3.15	-58.29
O=C([O-])C1=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C(Cl)S1	REAL300008287646	0	35	-1.0	-57.11	327.29	6.37	-50.74
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287647	0	38	-1.0	-59.17	310.34	5.92	-53.25
CC1=CC(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)=CN=C1C(=O)[O-]	REAL300008287648	0	40	-1.0	-59.75	342.52	4.95	-54.80
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287649	0	41	-1.0	-63.04	336.58	7.48	-55.56
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1C(=O)[O-]	REAL300008287650	0	45	-1.0	-66.14	379.07	7.17	-58.97
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCC(C4=CC=NO4)CC3)C=C2C1	REAL300008287651	0	45	-1.0	-59.52	375.31	8.08	-51.44
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC(C2=CC=NO2)CC1	REAL300008287652	0	37	-1.0	-60.60	310.64	5.29	-55.31
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCC(C4=CC=NO4)CC3)C=C2C=C1	REAL300008287653	0	43	-1.0	-62.45	371.64	6.60	-55.85
CC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287654	0	37	-1.0	-63.52	316.28	5.58	-57.94
CCC(C)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287655	0	44	-1.0	-45.01	348.92	7.69	-37.32
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)S1	REAL300008287656	0	29	-1.0	-49.26	272.90	5.09	-44.17
COC1=CC=C(C)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287657	0	39	-1.0	-58.75	320.71	5.74	-53.01
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287658	0	35	-1.0	-55.89	305.80	7.20	-48.69
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008287659	0	36	-1.0	-57.86	311.63	6.37	-51.49
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008287660	0	38	-1.0	-52.88	330.95	2.62	-50.26
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008287661	0	36	-1.0	-52.94	321.78	4.99	-47.95
COC1=CC(C)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1OC	REAL300008287662	0	43	-1.0	-59.19	335.05	5.35	-53.84
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287663	0	35	-1.0	-56.13	301.22	7.09	-49.04
CC1=NN(C)C(C)=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287664	0	38	-1.0	-55.06	305.38	4.09	-50.97
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008287665	0	48	-1.0	-44.91	372.11	8.91	-36.00
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008287666	0	38	-1.0	-56.22	320.26	4.35	-51.87
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1Br	REAL300008287667	0	32	-1.0	-55.51	284.48	5.66	-49.85
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008287668	0	32	-1.0	-54.05	297.09	5.82	-48.23
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287669	0	37	-1.0	-62.65	297.72	7.38	-55.27
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008287670	0	38	-1.0	-57.99	333.01	8.03	-49.96
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287671	0	42	-1.0	-69.40	353.43	2.62	-66.78
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287672	0	43	-1.0	-44.39	352.70	6.93	-37.46
CC1=CC(F)=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287673	0	35	-1.0	-53.11	303.60	5.93	-47.18
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008287674	0	38	-1.0	-57.72	316.31	6.39	-51.33
COCC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287675	0	39	-1.0	-45.97	325.32	4.83	-41.14
CCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=N1	REAL300008287676	0	38	-1.0	-56.84	320.72	3.70	-53.14
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008287677	0	41	-1.0	-57.25	355.28	3.31	-53.94
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCCS(C)(=O)=O	REAL300008287678	0	37	-1.0	-74.25	320.01	2.06	-72.19
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(C)=C1C	REAL300008287679	0	42	-1.0	-57.79	321.74	6.09	-51.70
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008287680	0	37	-1.0	-57.29	329.14	5.80	-51.49
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008287681	0	35	-1.0	-58.96	315.93	7.37	-51.59
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008287682	0	37	-1.0	-55.82	317.69	5.53	-50.29
CC1=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300008287683	0	41	-1.0	-54.25	342.77	5.92	-48.33
CCN1N=C(C)C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1C	REAL300008287684	0	41	-1.0	-54.60	328.22	4.99	-49.61
CC(C)N1C=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=N1	REAL300008287685	0	38	-1.0	-50.14	322.19	3.83	-46.31
CC(C)CN1C=NC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287686	0	41	-1.0	-55.56	341.96	5.71	-49.85
CC(C)N1C=NC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287687	0	38	-1.0	-55.19	322.87	5.12	-50.07
CC(C)C1=NC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CN1	REAL300008287688	0	38	-1.0	-62.77	316.01	4.22	-58.55
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008287689	0	44	-1.0	-59.13	322.60	8.60	-50.53
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008287690	0	45	-1.0	-62.11	373.18	8.35	-53.76
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008287691	0	40	-1.0	-67.55	337.69	5.18	-62.37
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1OC	REAL300008287692	0	40	-1.0	-60.78	332.58	5.48	-55.30
CC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1Br	REAL300008287693	0	35	-1.0	-53.61	316.26	6.33	-47.28
CC1=C(F)C=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287694	0	35	-1.0	-59.93	279.76	6.32	-53.61
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008287695	0	38	-1.0	-55.59	324.36	8.17	-47.42
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008287696	0	37	-1.0	-59.16	325.46	8.03	-51.13
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008287697	0	36	-1.0	-54.10	321.27	4.84	-49.26
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008287698	0	39	-1.0	-61.52	332.39	7.37	-54.15
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287699	0	47	-1.0	-54.77	361.46	6.07	-48.70
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008287700	0	35	-1.0	-45.53	302.43	5.97	-39.56
COCC1=CC=C(OC)C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287701	0	43	-1.0	-60.35	354.37	4.79	-55.56
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CC(C)C(F)(F)C2)=C1OC	REAL300008294001	0	44	-1.0	-50.18	375.78	6.08	-44.10
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CC1(F)F	REAL300008294002	0	32	-1.0	-53.26	283.54	3.28	-49.98
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1(F)F	REAL300008294003	0	34	-2.0	-138.77	318.35	5.83	-132.94
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)C(F)(F)C1	REAL300008294004	0	39	-1.0	-51.11	339.44	5.11	-46.00
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC1(F)F	REAL300008294005	0	31	-1.0	-46.02	287.23	3.03	-42.99
CC1CN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CC1(F)F	REAL300008294006	0	35	-1.0	-52.83	305.31	6.04	-46.79
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1(F)F	REAL300008294007	0	29	-1.0	-47.56	291.15	3.55	-44.01
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)CC1(F)F	REAL300008294008	0	38	-1.0	-51.49	320.39	6.70	-44.79
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)C(F)(F)C1	REAL300008294009	0	39	-1.0	-54.08	338.24	5.64	-48.44
COC1=CC=C(S(=O)(=O)N2CC(C)C(F)(F)C2)C(C(=O)[O-])=C1	REAL300008294010	0	36	-1.0	-62.11	311.31	5.27	-56.84
CC1CN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CC1(F)F	REAL300008294011	0	31	-1.0	-54.91	287.57	3.12	-51.79
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)CC1(F)F	REAL300008294012	0	32	-1.0	-55.53	292.29	2.65	-52.88
CC1CN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)CC1(F)F	REAL300008294013	0	38	-1.0	-51.67	337.43	7.14	-44.53
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC(C)C(F)(F)C2)S1	REAL300008294014	0	32	-1.0	-49.48	301.11	4.59	-44.89
CC1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])CC1(F)F	REAL300008294015	0	38	-1.0	-64.67	328.96	8.37	-56.30
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)CC1(F)F	REAL300008294016	0	35	-1.0	-45.31	319.12	6.37	-38.94
CC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1(F)F	REAL300008294017	0	35	-1.0	-62.40	304.53	6.41	-55.99
CC1CN(S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1(F)F	REAL300008294018	0	32	-1.0	-47.93	320.69	5.50	-42.43
CC1CN(S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)CC1(F)F	REAL300008294019	0	35	-1.0	-65.96	317.37	3.56	-62.40
CC1CN(S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)CC1(F)F	REAL300008294020	0	35	-1.0	-45.64	319.57	6.09	-39.55
CC1CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1(F)F	REAL300008294021	0	37	-1.0	-53.22	295.07	4.64	-48.58
CC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)CC1(F)F	REAL300008294022	0	29	-1.0	-38.59	284.09	4.71	-33.88
CC1=CC(S(=O)(=O)N2CC(C)C(F)(F)C2)=CN=C1C(=O)[O-]	REAL300008294023	0	34	-1.0	-50.03	304.16	3.62	-46.41
CC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC1(F)F	REAL300008294024	0	35	-1.0	-62.40	304.53	6.41	-55.99
CCOC1=CC=C(S(=O)(=O)N2CC(C)C(F)(F)C2)C=C1C(=O)[O-]	REAL300008294025	0	39	-1.0	-60.95	340.61	5.86	-55.09
CC1CN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CC1(F)F	REAL300008294026	0	39	-1.0	-52.60	337.08	6.79	-45.81
CC1CN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])CC1(F)F	REAL300008294027	0	31	-1.0	-53.64	279.01	4.26	-49.38
CC1CN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)CC1(F)F	REAL300008294028	0	37	-1.0	-54.72	333.27	5.28	-49.44
COC1=CC=CC(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2)=C1	REAL300008294029	0	46	-1.0	-53.25	398.33	8.06	-45.19
COC1=CC=CC(C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2)=C1	REAL300008294030	0	46	-1.0	-56.38	398.38	8.05	-48.33
COC1=CC=CC(C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2)=C1	REAL300008294031	0	46	-1.0	-56.38	398.38	8.05	-48.33
COC1=CC=CC(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2)=C1	REAL300008294032	0	46	-1.0	-53.25	398.33	8.06	-45.19
COC1=CC=CC(C(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294033	0	46	-1.0	-52.72	385.23	8.91	-43.81
COC1=CC=CC(C(NS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C2=CC=CC=C2)=C1	REAL300008294034	0	44	-1.0	-54.77	387.62	5.79	-48.98
COC1=CC=CC(C(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294035	0	43	-1.0	-54.51	375.12	5.19	-49.32
COC1=CC=CC(C(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294036	0	46	-1.0	-52.72	385.23	8.91	-43.81
COC1=CC=CC(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=CC=C2)=C1	REAL300008294037	0	43	-1.0	-54.81	383.83	6.53	-48.28
COC1=CC=CC(C(NS(=O)(=O)CCCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294038	0	45	-1.0	-53.82	383.67	6.70	-47.12
COC1=CC=CC(C(NS(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294039	0	48	-1.0	-49.56	397.22	6.85	-42.71
COC1=CC=CC(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=CC=C2)=C1	REAL300008294040	0	43	-1.0	-54.81	383.83	6.53	-48.28
COC1=CC=CC(C(NS(=O)(=O)CCCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294041	0	45	-1.0	-53.82	383.67	6.70	-47.12
COC1=CC=CC(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C2=CC=CC=C2)=C1	REAL300008294042	0	43	-1.0	-51.69	384.07	6.26	-45.43
COC1=CC=CC(C(NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C2=CC=CC=C2)=C1	REAL300008294043	0	45	-1.0	-49.47	394.24	6.35	-43.12
COC1=CC=CC(C(NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294044	0	45	-1.0	-55.24	381.35	7.00	-48.24
COC1=CC=CC(C(NS(=O)(=O)CCCCCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294045	0	51	-1.0	-54.86	426.67	8.26	-46.60
COC1=CC=CC(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C2=CC=CC=C2)=C1	REAL300008294046	0	45	-1.0	-55.75	394.29	6.25	-49.50
COC1=CC=CC(C(NS(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294047	0	47	-1.0	-49.32	395.25	6.22	-43.10
COC1=CC=CC(C(NS(=O)(=O)CC2(CC(=O)[O-])CC2)C2=CC=CC=C2)=C1	REAL300008294048	0	49	-1.0	-50.10	408.86	7.98	-42.12
COC1=CC=CC(C(NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C2=CC=CC=C2)=C1	REAL300008294049	0	43	-1.0	-55.88	376.23	7.01	-48.87
COC1=CC=CC(C(NS(=O)(=O)C2(C(=O)[O-])CCC2)C2=CC=CC=C2)=C1	REAL300008294050	0	46	-1.0	-48.71	381.08	7.20	-41.51
COC1=CC=CC(C(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294051	0	43	-1.0	-54.51	375.12	5.19	-49.32
COC1=CC=CC(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C2)=C1	REAL300008294052	0	45	-1.0	-51.31	383.54	6.62	-44.69
COC1=CC=CC(C(NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C2=CC=CC=C2)=C1	REAL300008294053	0	45	-1.0	-61.96	394.59	6.29	-55.67
COC1=CC=CC(C(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=CC=C2)=C1	REAL300008294054	0	43	-1.0	-49.22	382.70	4.33	-44.89
COC1=CC=CC(C(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)=C1	REAL300008294055	0	46	-1.0	-55.68	385.90	7.10	-48.58
COC1=CC=CC(C(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)=C1	REAL300008294056	0	49	-1.0	-56.49	405.27	7.77	-48.72
COC1=CC=CC(C(NS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294057	0	46	-1.0	-56.68	394.29	7.41	-49.27
COC1=CC=CC(C(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=CC=C2)=C1	REAL300008294058	0	43	-1.0	-49.22	382.70	4.33	-44.89
COC1=CC=CC(C(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294059	0	48	-1.0	-49.55	397.18	6.85	-42.70
COC1=CC=CC(C(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294060	0	43	-1.0	-54.51	375.12	5.19	-49.32
COC1=CC=CC(C(NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294061	0	46	-1.0	-59.18	377.19	7.74	-51.44
COC1=CC=CC(C(NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C2=CC=CC=C2)=C1	REAL300008294062	0	45	-1.0	-48.12	384.44	7.19	-40.93
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)SC=C1	REAL300008294063	0	35	-1.0	-57.23	335.75	1.98	-55.25
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)SC=C1	REAL300008294064	0	35	-1.0	-56.80	335.84	1.97	-54.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=C(S(C)(=O)=O)C=CS1	REAL300008294065	0	38	-1.0	-64.31	347.58	2.58	-61.73
CC1=CC=C(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)C=C1C(=O)[O-]	REAL300008294066	0	38	-1.0	-63.66	355.91	2.62	-61.04
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)SC=C1	REAL300008294067	0	32	-1.0	-45.84	313.47	1.54	-44.30
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)SC=C1	REAL300008294067	1	31	-2.0	-115.47	318.81	1.31	-114.16
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)SC=C1	REAL300008294068	0	35	-1.0	-56.80	335.84	1.97	-54.83
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)SC=C1	REAL300008294069	0	35	-1.0	-57.23	335.75	1.98	-55.25
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])SC=C1	REAL300008294070	0	35	-1.0	-47.97	318.74	2.55	-45.42
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)SC=C1	REAL300008294071	0	33	-1.0	-56.26	324.34	-0.30	-56.56
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)SC=C1	REAL300008294072	0	35	-1.0	-58.99	340.36	0.11	-58.88
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)SC=C1	REAL300008294073	0	32	-1.0	-56.13	328.02	1.10	-55.03
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])SC=C1	REAL300008294074	0	32	-1.0	-52.51	311.93	-0.99	-53.50
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])SC=C1	REAL300008294074	1	31	-2.0	-118.30	310.51	-1.33	-119.63
CS(=O)(=O)C1=C(CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)SC=C1	REAL300008294075	0	40	-1.0	-57.95	350.20	0.98	-56.97
CS(=O)(=O)C1=C(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)SC=C1	REAL300008294076	0	40	-1.0	-57.02	350.65	1.03	-55.99
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])SC=C1	REAL300008294077	0	35	-1.0	-47.97	318.74	2.55	-45.42
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)SC=C1	REAL300008294078	0	32	-1.0	-58.67	320.58	0.33	-58.34
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)SC=C1	REAL300008294078	1	31	-2.0	-96.84	319.16	0.02	-96.82
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)O1	REAL300008294079	0	35	-1.0	-55.14	338.81	0.81	-54.33
CS(=O)(=O)C1=C(CNS(=O)(=O)CCCC(=O)[O-])SC=C1	REAL300008294080	0	34	-1.0	-57.41	321.82	0.60	-56.81
CS(=O)(=O)C1=C(CNS(=O)(=O)N2CCCC2C(=O)[O-])SC=C1	REAL300008294081	0	37	-1.0	-49.73	331.00	0.45	-49.28
CS(=O)(=O)C1=C(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)SC=C1	REAL300008294082	0	38	-1.0	-63.94	359.55	2.69	-61.25
CS(=O)(=O)C1=C(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)SC=C1	REAL300008294083	0	40	-1.0	-57.02	350.65	1.03	-55.99
CS(=O)(=O)C1=C(CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)SC=C1	REAL300008294084	0	38	-1.0	-66.31	359.62	2.67	-63.64
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)SC=C1	REAL300008294085	0	32	-1.0	-58.67	320.58	0.33	-58.34
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)SC=C1	REAL300008294085	1	31	-2.0	-96.84	319.16	0.02	-96.82
CS(=O)(=O)C1=C(CNS(=O)(=O)CCCC(=O)[O-])SC=C1	REAL300008294086	0	34	-1.0	-57.41	321.82	0.60	-56.81
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)SC=C1	REAL300008294087	0	32	-1.0	-54.29	328.94	1.00	-53.29
CC1=CC=CC(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)=C1C(=O)[O-]	REAL300008294088	0	38	-1.0	-69.16	346.06	2.51	-66.65
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)SC=C1	REAL300008294089	0	32	-1.0	-55.94	327.48	0.99	-54.95
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=C(S(C)(=O)=O)C=CS1	REAL300008294090	0	38	-1.0	-53.57	342.79	2.46	-51.11
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)SC=C1	REAL300008294091	0	38	-1.0	-55.55	357.99	2.76	-52.79
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)SC=C1	REAL300008294092	0	32	-1.0	-54.90	320.83	0.08	-54.82
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)SC=C1	REAL300008294092	1	31	-2.0	-96.64	319.41	-0.25	-96.89
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)SC=C1	REAL300008294093	0	38	-1.0	-56.10	357.99	2.75	-53.35
CC1=C(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)C=C(C(=O)[O-])O1	REAL300008294094	0	35	-1.0	-61.75	337.98	0.83	-60.92
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)SC=C1	REAL300008294095	0	34	-1.0	-52.17	331.00	0.17	-52.00
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])SC=C1	REAL300008294096	0	30	-2.0	-114.47	313.60	-0.22	-114.69
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])SC=C1	REAL300008294096	1	31	-1.0	-50.34	307.46	-0.02	-50.36
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)SC=C1	REAL300008294097	0	31	-1.0	-53.39	314.66	-0.40	-53.79
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)SC=C1	REAL300008294097	1	30	-2.0	-120.29	315.97	-0.65	-120.94
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])SC=C1	REAL300008294098	0	34	-1.0	-51.73	315.38	0.79	-50.94
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])SC=C1	REAL300008294098	1	33	-2.0	-120.65	323.56	0.64	-120.01
CS(=O)(=O)C1=C(CNS(=O)(=O)CCCCCC(=O)[O-])SC=C1	REAL300008294099	0	40	-1.0	-59.26	364.82	2.16	-57.10
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)SC=C1	REAL300008294100	0	34	-1.0	-60.13	331.66	0.19	-59.94
CC1=CC(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)=CC=C1C(=O)[O-]	REAL300008294101	0	38	-1.0	-56.75	351.83	2.51	-54.24
CN(CCC(=O)[O-])S(=O)(=O)NCC1=C(S(C)(=O)=O)C=CS1	REAL300008294102	0	36	-1.0	-52.12	334.75	0.19	-51.93
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=C(S(C)(=O)=O)C=CS1	REAL300008294103	0	35	-1.0	-58.27	332.36	2.26	-56.01
CS(=O)(=O)C1=C(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)SC=C1	REAL300008294104	0	38	-1.0	-63.94	359.55	2.69	-61.25
CC1=CC=C(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)C=C1C(=O)[O-]	REAL300008294105	0	38	-1.0	-63.66	355.91	2.62	-61.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=C(S(C)(=O)=O)C=CS1	REAL300008294106	0	38	-1.0	-64.31	347.58	2.58	-61.73
CS(=O)(=O)C1=C(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)SC=C1	REAL300008294107	0	38	-1.0	-51.32	346.39	1.84	-49.48
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)SC=C1	REAL300008294108	0	38	-1.0	-56.10	357.99	2.75	-53.35
CCC1=C(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)C=C(C(=O)[O-])O1	REAL300008294109	0	38	-1.0	-61.29	358.33	1.63	-59.66
CC1=NC=C(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)C=C1C(=O)[O-]	REAL300008294110	0	37	-1.0	-55.28	347.26	0.69	-54.59
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=C(S(C)(=O)=O)C=CS1	REAL300008294111	0	35	-1.0	-58.20	327.72	0.30	-57.90
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)=C1	REAL300008294112	0	35	-1.0	-59.76	338.54	0.94	-58.82
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)SC=C1	REAL300008294113	0	32	-1.0	-53.55	313.03	0.83	-52.72
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)SC=C1	REAL300008294113	1	31	-2.0	-118.13	311.62	0.51	-117.62
CS(=O)(=O)C1=C(CNS(=O)(=O)C2(C(=O)[O-])CCC2)SC=C1	REAL300008294114	0	35	-1.0	-52.12	320.59	0.80	-51.32
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])SC=C1	REAL300008294115	0	32	-1.0	-52.51	311.93	-0.99	-53.50
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])SC=C1	REAL300008294115	1	31	-2.0	-118.30	310.51	-1.33	-119.63
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=C(S(C)(=O)=O)C=CS1	REAL300008294116	0	35	-1.0	-58.20	327.72	0.30	-57.90
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)SC=C1	REAL300008294117	0	34	-1.0	-55.52	332.03	0.09	-55.43
CS(=O)(=O)C1=C(CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])SC=C1	REAL300008294118	0	38	-1.0	-56.55	349.50	3.11	-53.44
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)SC=C1	REAL300008294119	0	31	-2.0	-92.38	334.06	0.30	-92.08
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)SC=C1	REAL300008294119	1	32	-1.0	-52.42	335.48	0.63	-51.79
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)SC=C1	REAL300008294120	0	34	-1.0	-64.89	331.90	0.19	-64.70
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)SC=C1	REAL300008294121	0	32	-1.0	-51.35	319.30	-1.77	-53.12
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=C(S(C)(=O)=O)C=CS1	REAL300008294122	0	35	-1.0	-64.19	337.33	-0.27	-64.46
CS(=O)(=O)C1=C(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)SC=C1	REAL300008294123	0	35	-1.0	-56.95	325.82	1.11	-55.84
CS(=O)(=O)C1=C(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)SC=C1	REAL300008294124	0	38	-1.0	-58.96	338.82	1.50	-57.46
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)S1	REAL300008294125	0	35	-1.0	-53.87	345.90	1.66	-52.21
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])SC=C1	REAL300008294126	0	38	-1.0	-58.64	345.03	2.80	-55.84
CS(=O)(=O)C1=C(CNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])SC=C1	REAL300008294127	0	35	-1.0	-60.65	332.48	1.29	-59.36
CS(=O)(=O)C1=C(CNS(=O)(=O)N2CCCCC2C(=O)[O-])SC=C1	REAL300008294128	0	40	-1.0	-47.43	335.03	1.73	-45.70
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)SC=C1	REAL300008294129	0	32	-1.0	-51.35	319.30	-1.77	-53.12
CS(=O)(=O)C1=C(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])SC=C1	REAL300008294130	0	37	-1.0	-62.00	335.56	1.13	-60.87
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])SC=C1	REAL300008294131	0	32	-1.0	-52.51	311.93	-0.99	-53.50
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])SC=C1	REAL300008294131	1	31	-2.0	-118.30	310.51	-1.33	-119.63
CS(=O)(=O)C1=C(CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])SC=C1	REAL300008294132	0	35	-1.0	-59.77	316.19	1.70	-58.07
CC1=CC(S(=O)(=O)NCC2=C(S(C)(=O)=O)C=CS2)=CN=C1C(=O)[O-]	REAL300008294133	0	37	-1.0	-58.98	348.50	0.74	-58.24
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])SC=C1	REAL300008294134	0	38	-1.0	-58.64	345.03	2.80	-55.84
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])SC=C1	REAL300008294135	0	34	-1.0	-43.52	314.37	0.80	-42.72
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])SC=C1	REAL300008294135	1	33	-2.0	-110.50	319.28	0.81	-109.69
CC(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294136	0	37	-1.0	-53.64	318.54	5.21	-48.43
CCC(C)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294137	0	44	-1.0	-45.93	356.74	7.39	-38.54
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300008294138	0	29	-1.0	-45.76	287.06	4.47	-41.29
COC1=CC=C(C)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294139	0	39	-1.0	-49.45	323.28	5.37	-44.08
CC1=CC=C(Br)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294140	0	35	-1.0	-45.18	306.96	5.94	-39.24
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300008294141	0	36	-1.0	-47.47	318.00	5.15	-42.32
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294142	0	38	-1.0	-54.66	338.76	2.32	-52.34
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300008294143	0	36	-1.0	-46.00	324.04	4.62	-41.38
COC1=CC(C)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1OC	REAL300008294144	0	43	-1.0	-47.93	344.22	4.50	-43.43
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294145	0	35	-1.0	-44.32	302.38	5.82	-38.50
CN(C1CCCCC1)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294146	0	43	-1.0	-45.80	334.31	5.32	-40.48
CC1=NN(C)C(C)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294147	0	38	-1.0	-48.99	315.42	3.92	-45.07
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300008294148	0	48	-1.0	-47.40	380.26	8.65	-38.75
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300008294149	0	38	-1.0	-48.98	323.36	3.98	-45.00
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300008294150	0	32	-1.0	-47.98	286.66	5.25	-42.73
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300008294151	0	32	-1.0	-46.35	299.34	5.45	-40.90
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294152	0	37	-1.0	-53.68	304.65	6.57	-47.11
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300008294153	0	38	-1.0	-48.22	340.09	6.82	-41.40
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294154	0	42	-1.0	-57.59	360.98	1.40	-56.19
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294155	0	43	-1.0	-48.92	360.68	6.64	-42.28
CC1=CC(F)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294156	0	35	-1.0	-46.31	305.62	5.56	-40.75
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300008294157	0	38	-1.0	-49.49	323.82	5.35	-44.14
COCC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294158	0	39	-1.0	-47.13	333.14	4.53	-42.60
CCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=N1	REAL300008294159	0	38	-1.0	-47.22	326.85	2.46	-44.76
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294160	0	41	-1.0	-57.93	363.09	3.02	-54.91
CS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294161	0	37	-1.0	-61.19	326.68	0.86	-60.33
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C)=C1C	REAL300008294162	0	42	-1.0	-46.69	331.24	5.23	-41.46
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300008294163	0	37	-1.0	-48.29	332.57	5.37	-42.92
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300008294164	0	35	-1.0	-47.08	323.95	6.18	-40.90
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300008294165	0	37	-1.0	-49.91	319.84	5.23	-44.68
CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CC1	REAL300008294166	0	42	-1.0	-55.51	351.42	0.48	-55.03
CN(C1CCOCC1)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294167	0	41	-1.0	-47.08	325.64	2.90	-44.18
CC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300008294168	0	41	-1.0	-50.81	344.47	6.01	-44.80
CCN1N=C(C)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1C	REAL300008294169	0	41	-1.0	-48.91	337.02	4.74	-44.17
CC(C)N1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=N1	REAL300008294170	0	38	-1.0	-48.96	322.56	3.93	-45.03
CC(C)CN1C=NC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294171	0	41	-1.0	-51.22	342.76	5.79	-45.43
CC(C)N1C=NC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294172	0	38	-1.0	-51.01	323.67	5.20	-45.81
CC(C)C1=NC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CN1	REAL300008294173	0	38	-1.0	-51.50	321.86	3.27	-48.23
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294174	0	44	-1.0	-46.25	333.87	7.77	-38.48
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300008294175	0	45	-1.0	-54.00	377.28	7.46	-46.54
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294176	0	40	-1.0	-56.93	344.54	4.20	-52.73
COC1=CC(Cl)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1OC	REAL300008294177	0	40	-1.0	-47.52	344.01	4.35	-43.17
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Br	REAL300008294178	0	35	-1.0	-46.14	317.55	6.00	-40.14
CC1=C(F)C=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294179	0	35	-1.0	-46.31	290.95	5.33	-40.98
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300008294180	0	38	-1.0	-47.65	328.46	7.27	-40.38
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300008294181	0	37	-1.0	-45.24	334.61	6.96	-38.28
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300008294182	0	36	-1.0	-47.95	323.52	4.45	-43.50
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300008294183	0	39	-1.0	-49.78	338.74	6.38	-43.40
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294184	0	47	-1.0	-48.53	369.41	5.84	-42.69
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300008294185	0	35	-1.0	-47.26	310.25	5.67	-41.59
COCC1=CC=C(OC)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294186	0	43	-1.0	-50.44	357.00	4.44	-46.00
O=C([O-])C1=COC2=C1CN(S(=O)(=O)N1CCC(F)(F)C1)C2	REAL300008297001	0	32	-1.0	-51.88	297.77	2.97	-48.91
O=C([O-])C1=COC2=C1CN(S(=O)(=O)C1=CN=CS1)C2	REAL300008297002	0	26	-1.0	-51.98	267.42	1.60	-50.38
O=C([O-])C1=COC2=C1CN(S(=O)(=O)C1=CC(C(F)F)=CC=N1)C2	REAL300008297003	0	32	-1.0	-58.90	311.05	3.53	-55.37
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=C1	REAL300008297004	0	43	-1.0	-55.47	366.21	6.54	-48.93
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1	REAL300008297005	0	43	-1.0	-51.20	318.66	6.39	-44.81
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297006	0	43	-1.0	-54.31	338.50	6.31	-48.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297007	0	46	-1.0	-50.17	355.09	7.26	-42.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297008	0	47	-1.0	-56.94	361.74	6.16	-50.78
CC1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1C(=O)[O-]	REAL300008297009	0	46	-1.0	-51.75	354.52	6.84	-44.91
O=C([O-])C1=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=CS1	REAL300008297010	0	40	-1.0	-62.73	324.65	6.06	-56.67
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297011	0	43	-1.0	-54.31	338.50	6.31	-48.00
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1	REAL300008297012	0	43	-1.0	-51.20	318.66	6.39	-44.81
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297013	0	43	-1.0	-68.03	330.52	7.46	-60.57
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=CN1	REAL300008297014	0	41	-1.0	-50.40	327.02	4.03	-46.37
O=C([O-])CN1C=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=N1	REAL300008297015	0	43	-1.0	-51.51	343.10	4.44	-47.07
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)S1	REAL300008297016	0	40	-1.0	-47.26	330.75	5.44	-41.82
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297017	0	40	-1.0	-54.38	311.06	3.21	-51.17
O=C([O-])C1CCCN(S(=O)(=O)N2CCCC3(CCCO3)CC2)C1	REAL300008297018	0	48	-1.0	-49.25	355.84	5.42	-43.83
O=C([O-])C1CCN(S(=O)(=O)N2CCCC3(CCCO3)CC2)CC1	REAL300008297019	0	48	-1.0	-51.33	355.63	5.46	-45.87
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297020	0	43	-1.0	-68.03	330.52	7.46	-60.57
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297021	0	43	-1.0	-59.61	347.16	7.97	-51.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)O1	REAL300008297022	0	40	-1.0	-49.09	323.25	4.69	-44.40
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)O1	REAL300008297023	0	43	-1.0	-50.22	341.46	5.15	-45.07
O=C([O-])CCCS(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297024	0	42	-1.0	-50.24	321.07	4.80	-45.44
O=C([O-])C1CCCN1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297025	0	45	-1.0	-59.38	338.26	5.44	-53.94
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1	REAL300008297026	0	46	-1.0	-55.85	349.49	7.53	-48.32
O=C([O-])C1CCN(S(=O)(=O)N2CCCC3(CCCO3)CC2)CC1	REAL300008297027	0	48	-1.0	-51.33	355.63	5.46	-45.87
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297028	0	46	-1.0	-59.51	349.49	7.52	-51.99
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)O1	REAL300008297029	0	40	-1.0	-49.09	323.25	4.69	-44.40
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1	REAL300008297030	0	47	-1.0	-46.91	367.44	6.43	-40.48
O=C([O-])CCCS(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297031	0	42	-1.0	-50.24	321.07	4.80	-45.44
O=C([O-])C1=CSC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297032	0	40	-1.0	-50.52	331.64	5.33	-45.19
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1C	REAL300008297033	0	49	-1.0	-59.26	362.82	7.25	-52.01
CC1=CC=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1C(=O)[O-]	REAL300008297034	0	46	-1.0	-56.04	345.87	7.18	-48.86
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297035	0	50	-1.0	-57.66	395.73	5.95	-51.71
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=CS1	REAL300008297036	0	40	-1.0	-52.18	330.15	5.35	-46.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297037	0	46	-1.0	-48.72	341.68	6.62	-42.10
O=C([O-])C1=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C2=CC=CC=C2S1	REAL300008297038	0	46	-1.0	-67.03	359.46	8.70	-58.33
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1	REAL300008297039	0	46	-1.0	-47.57	358.54	6.92	-40.65
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1[N+](=O)[O-]	REAL300008297040	0	48	-1.0	-41.59	376.70	7.33	-34.26
O=C([O-])C1=COC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297041	0	40	-1.0	-49.45	323.50	4.42	-45.03
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297042	0	46	-1.0	-52.91	360.67	7.08	-45.83
CC1=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C(C(=O)[O-])O1	REAL300008297043	0	43	-1.0	-54.38	336.00	5.24	-49.14
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297044	0	42	-1.0	-47.73	333.68	4.50	-43.23
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297045	0	39	-1.0	-74.75	321.47	4.46	-70.29
O=C([O-])C1=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)SC=N1	REAL300008297046	0	39	-1.0	-66.59	320.88	4.12	-62.47
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297047	0	42	-1.0	-70.85	326.94	5.59	-65.26
O=C([O-])CCCCCS(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297048	0	48	-1.0	-51.54	364.07	6.36	-45.18
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=N1	REAL300008297049	0	42	-1.0	-52.85	336.52	4.46	-48.39
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297050	0	43	-1.0	-50.35	357.39	6.75	-43.60
COC1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1C(=O)[O-]	REAL300008297051	0	47	-1.0	-60.09	365.78	6.37	-53.72
CC1=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=CC=C1C(=O)[O-]	REAL300008297052	0	46	-1.0	-48.01	354.47	6.85	-41.16
CN(CCC(=O)[O-])S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297053	0	44	-1.0	-52.50	335.79	4.84	-47.66
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCCC4(CCCO4)CC3)C=CC=C21	REAL300008297054	0	48	-1.0	-55.58	371.33	6.87	-48.71
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297055	0	50	-1.0	-57.66	395.73	5.95	-51.71
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297056	0	43	-1.0	-50.35	357.39	6.75	-43.60
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297057	0	43	-1.0	-55.62	330.49	6.45	-49.17
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297058	0	46	-1.0	-45.37	369.02	7.69	-37.68
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCCC4(CCCO4)CC3)C=C21	REAL300008297059	0	49	-1.0	-50.32	385.46	7.64	-42.68
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1	REAL300008297060	0	46	-1.0	-55.85	349.49	7.53	-48.32
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297061	0	47	-1.0	-56.94	361.74	6.16	-50.78
CC1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1C(=O)[O-]	REAL300008297062	0	46	-1.0	-51.75	354.52	6.84	-44.91
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297063	0	46	-1.0	-50.17	355.09	7.26	-42.91
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297064	0	47	-1.0	-45.85	367.60	6.44	-39.41
O=C([O-])CC1(CS(=O)(=O)N2CCCC3(CCCO3)CC2)CC1	REAL300008297065	0	46	-1.0	-50.27	348.61	6.21	-44.06
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297066	0	46	-1.0	-52.91	360.67	7.08	-45.83
COC1=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)SC(C(=O)[O-])=C1	REAL300008297067	0	44	-1.0	-48.04	361.08	4.84	-43.20
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCCC4(CCCO4)CC3)=CC=C2O1	REAL300008297068	0	48	-1.0	-49.44	375.34	6.98	-42.46
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCCC4(CCCO4)CC3)C=C2)CC1	REAL300008297069	0	50	-1.0	-52.63	364.61	8.29	-44.34
CCC1=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C(C(=O)[O-])O1	REAL300008297070	0	46	-1.0	-54.22	352.30	5.86	-48.36
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297071	0	45	-1.0	-56.56	344.49	7.29	-49.27
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCCC4(CCCO4)CC3)=CC=C2S1	REAL300008297072	0	46	-1.0	-49.83	376.39	7.80	-42.03
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297073	0	45	-1.0	-52.45	358.62	8.12	-44.33
CC1=NC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1C(=O)[O-]	REAL300008297074	0	45	-1.0	-45.70	349.88	5.03	-40.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297075	0	47	-1.0	-48.03	365.24	6.18	-41.85
COC1=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=CC=C1C(=O)[O-]	REAL300008297076	0	47	-1.0	-53.83	365.71	6.38	-47.45
COC1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C(CC(=O)[O-])=C1	REAL300008297077	0	50	-1.0	-59.61	374.25	6.48	-53.13
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1F	REAL300008297078	0	46	-1.0	-50.49	366.11	7.12	-43.37
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1	REAL300008297079	0	52	-1.0	-50.33	371.94	8.02	-42.31
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297080	0	43	-1.0	-51.21	325.51	4.50	-46.71
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCCC4(CCCO4)CC3)C=CC=C12	REAL300008297081	0	49	-1.0	-53.39	375.40	8.72	-44.67
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297082	0	43	-1.0	-50.19	341.18	5.27	-44.92
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=CC=C1Cl	REAL300008297083	0	43	-1.0	-49.87	351.01	6.70	-43.17
O=C([O-])C1=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)OC=C1	REAL300008297084	0	40	-1.0	-55.84	312.10	5.02	-50.82
O=C([O-])C1(S(=O)(=O)N2CCCC3(CCCO3)CC2)CCC1	REAL300008297085	0	43	-1.0	-44.73	319.58	5.44	-39.29
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297086	0	47	-1.0	-64.54	359.82	6.77	-57.77
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297087	0	40	-1.0	-54.38	311.06	3.21	-51.17
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297088	0	43	-1.0	-51.21	325.51	4.50	-46.71
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1C(=O)[O-]	REAL300008297089	0	45	-2.0	-137.25	365.35	7.27	-129.98
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297090	0	50	-1.0	-48.48	386.76	6.52	-41.96
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297091	0	42	-1.0	-47.81	334.73	4.44	-43.37
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297092	0	46	-1.0	-60.13	338.36	7.87	-52.26
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C1	REAL300008297093	0	40	-1.0	-46.13	338.13	4.96	-41.17
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C2=CC=CC=C12	REAL300008297094	0	49	-1.0	-51.71	373.97	8.60	-43.11
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297095	0	50	-1.0	-56.56	383.62	7.09	-49.47
COC1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C(C(=O)[O-])=C1	REAL300008297096	0	47	-1.0	-65.89	345.74	5.93	-59.96
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=CC=N1	REAL300008297097	0	42	-1.0	-53.92	334.56	4.54	-49.38
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=NN1	REAL300008297098	0	40	-1.0	-44.20	321.98	2.58	-41.62
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297099	0	43	-1.0	-53.97	336.07	3.94	-50.03
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCCC4(CCCO4)CC3)C=C2C=C1	REAL300008297100	0	49	-1.0	-51.24	384.39	8.58	-42.66
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCCC3(CCCO3)CC2)C1	REAL300008297101	0	43	-1.0	-53.78	328.21	5.47	-48.31
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCCC3(CCCO3)CC2)C1	REAL300008297102	0	46	-1.0	-58.03	340.87	5.72	-52.31
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)S1	REAL300008297103	0	43	-1.0	-50.77	349.77	6.03	-44.74
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297104	0	49	-1.0	-72.09	375.45	9.66	-62.43
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297105	0	46	-1.0	-58.85	344.70	7.21	-51.64
O=C([O-])C1=NC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=C2C=CC=CN21	REAL300008297106	0	46	-1.0	-66.93	361.47	4.66	-62.27
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCCC4(CCCO4)CC3)=C2C=C1	REAL300008297107	0	46	-1.0	-45.50	365.07	7.55	-37.95
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297108	0	43	-1.0	-54.74	323.10	6.15	-48.59
O=C([O-])C1CCCCN1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297109	0	48	-1.0	-56.25	343.87	6.16	-50.09
O=C([O-])C1=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=NN1	REAL300008297110	0	40	-1.0	-44.20	321.98	2.58	-41.62
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297111	0	45	-1.0	-52.64	336.08	5.32	-47.32
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297112	0	40	-1.0	-54.38	311.06	3.21	-51.17
O=C([O-])C1=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C(Cl)S1	REAL300008297113	0	40	-1.0	-56.17	340.91	6.65	-49.52
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297114	0	43	-1.0	-64.57	317.83	6.75	-57.82
CC1=CC(S(=O)(=O)N2CCCC3(CCCO3)CC2)=CN=C1C(=O)[O-]	REAL300008297115	0	45	-1.0	-51.03	350.83	5.08	-45.95
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297116	0	46	-1.0	-58.85	344.70	7.21	-51.64
CCOC1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1C(=O)[O-]	REAL300008297117	0	50	-1.0	-58.22	387.63	7.28	-50.94
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCCC4(CCCO4)CC3)C=C2C1	REAL300008297118	0	50	-1.0	-52.37	383.94	8.20	-44.17
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCCC2(CCCO2)CC1	REAL300008297119	0	42	-1.0	-59.64	326.49	5.67	-53.97
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCCC4(CCCO4)CC3)C=C2C=C1	REAL300008297120	0	48	-1.0	-54.58	380.19	6.70	-47.88
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008297121	0	48	-1.0	-47.95	364.87	8.82	-39.13
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008297122	0	48	-1.0	-51.88	366.27	8.27	-43.61
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297123	0	51	-1.0	-56.33	372.96	8.71	-47.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297124	0	52	-1.0	-55.56	387.25	8.67	-46.89
CC1=CC=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300008297125	0	51	-1.0	-52.37	386.14	8.94	-43.43
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008297126	0	45	-1.0	-63.99	352.50	8.41	-55.58
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008297127	0	48	-1.0	-51.88	366.27	8.27	-43.61
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008297128	0	48	-1.0	-47.95	364.87	8.82	-39.13
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008297129	0	48	-1.0	-68.86	358.06	9.92	-58.94
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008297130	0	46	-1.0	-51.38	354.79	6.00	-45.38
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008297131	0	48	-1.0	-48.38	368.33	6.87	-41.51
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008297132	0	45	-1.0	-47.64	358.53	7.41	-40.23
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008297133	0	45	-1.0	-50.50	337.64	5.07	-45.43
CN(CC1CCCCC12CCC2)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008297134	0	53	-1.0	-49.23	384.44	7.85	-41.38
CN(CC1CCCCC12CCC2)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008297135	0	53	-1.0	-52.31	383.39	8.00	-44.31
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008297136	0	48	-1.0	-68.86	358.06	9.92	-58.94
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008297137	0	48	-1.0	-60.18	374.70	10.45	-49.73
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008297138	0	45	-1.0	-50.20	348.53	7.12	-43.08
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)O1	REAL300008297139	0	48	-1.0	-49.33	367.87	7.66	-41.67
CN(CC1CCCCC12CCC2)S(=O)(=O)CCCC(=O)[O-]	REAL300008297140	0	47	-1.0	-50.89	350.23	6.91	-43.98
CN(CC1CCCCC12CCC2)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008297141	0	50	-1.0	-61.39	363.53	7.82	-53.57
CN(CC1CCCCC12CCC2)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008297142	0	51	-1.0	-57.93	389.63	9.02	-48.91
CN(CC1CCCCC12CCC2)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008297143	0	53	-1.0	-52.31	383.39	8.00	-44.31
CN(CC1CCCCC12CCC2)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008297144	0	51	-1.0	-59.86	390.98	9.10	-50.76
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008297145	0	45	-1.0	-50.20	348.53	7.12	-43.08
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008297146	0	52	-1.0	-48.10	393.95	8.49	-39.61
CN(CC1CCCCC12CCC2)S(=O)(=O)CCCC(=O)[O-]	REAL300008297147	0	47	-1.0	-50.89	350.23	6.91	-43.98
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008297148	0	45	-1.0	-49.20	358.07	7.84	-41.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2CCCCC23CCC3)=C1C	REAL300008297149	0	54	-1.0	-57.28	394.15	9.58	-47.70
CC1=CC=CC(S(=O)(=O)N(C)CC2CCCCC23CCC3)=C1C(=O)[O-]	REAL300008297150	0	51	-1.0	-53.57	376.02	9.70	-43.87
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2CCCCC23CCC3)=C1	REAL300008297151	0	55	-1.0	-54.55	418.83	8.46	-46.09
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008297152	0	45	-1.0	-51.74	357.92	7.31	-44.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297153	0	51	-1.0	-48.77	371.50	9.01	-39.76
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008297154	0	51	-1.0	-48.75	387.05	9.60	-39.15
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008297155	0	45	-1.0	-48.68	348.77	6.87	-41.81
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008297156	0	51	-1.0	-51.86	388.44	9.04	-42.82
CC1=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)C=C(C(=O)[O-])O1	REAL300008297157	0	48	-1.0	-52.56	361.14	7.13	-45.43
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008297158	0	47	-1.0	-45.80	361.43	6.48	-39.32
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008297159	0	44	-1.0	-68.23	347.09	6.86	-61.37
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008297160	0	44	-1.0	-67.60	347.25	6.58	-61.02
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008297161	0	47	-1.0	-72.31	355.96	8.01	-64.30
CN(CC1CCCCC12CCC2)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008297162	0	53	-1.0	-51.43	391.70	8.40	-43.03
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008297163	0	47	-1.0	-49.87	359.63	6.97	-42.90
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008297164	0	48	-1.0	-47.63	380.50	9.26	-38.37
COC1=CC=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300008297165	0	52	-1.0	-60.02	393.97	8.36	-51.66
CC1=CC(S(=O)(=O)N(C)CC2CCCCC23CCC3)=CC=C1C(=O)[O-]	REAL300008297166	0	51	-1.0	-47.59	383.92	8.88	-38.71
CN(CCC(=O)[O-])S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297167	0	49	-1.0	-50.57	362.20	6.46	-44.11
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2CCCCC23CCC3)=C1	REAL300008297168	0	55	-1.0	-54.55	418.83	8.46	-46.09
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008297169	0	48	-1.0	-47.63	380.50	9.26	-38.37
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297170	0	48	-1.0	-48.19	362.87	8.79	-39.40
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297171	0	51	-1.0	-50.15	388.61	9.53	-40.62
CN(CC1CCCCC12CCC2)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008297172	0	51	-1.0	-57.93	389.63	9.02	-48.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297173	0	52	-1.0	-55.56	387.25	8.67	-46.89
CC1=CC=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300008297174	0	51	-1.0	-52.37	386.14	8.94	-43.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297175	0	51	-1.0	-56.33	372.96	8.71	-47.62
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297176	0	52	-1.0	-46.68	398.60	8.79	-37.89
CN(CC1CCCCC12CCC2)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008297177	0	51	-1.0	-48.24	376.31	8.20	-40.04
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008297178	0	51	-1.0	-51.86	388.44	9.04	-42.82
COC1=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)SC(C(=O)[O-])=C1	REAL300008297179	0	49	-1.0	-47.74	388.77	6.81	-40.93
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008297180	0	53	-1.0	-49.37	400.59	9.41	-39.96
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008297181	0	55	-1.0	-52.59	411.61	10.68	-41.91
CCC1=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)C=C(C(=O)[O-])O1	REAL300008297182	0	51	-1.0	-53.92	382.28	8.29	-45.63
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008297183	0	50	-1.0	-61.66	387.71	10.50	-51.16
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008297184	0	50	-1.0	-54.03	385.92	10.06	-43.97
CC1=NC=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300008297185	0	50	-1.0	-47.00	377.70	6.98	-40.02
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297186	0	52	-1.0	-47.85	386.16	8.60	-39.25
COC1=CC(S(=O)(=O)N(C)CC2CCCCC23CCC3)=CC=C1C(=O)[O-]	REAL300008297187	0	52	-1.0	-53.41	395.55	8.41	-45.00
COC1=CC=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)C(CC(=O)[O-])=C1	REAL300008297188	0	55	-1.0	-66.34	408.36	9.29	-57.05
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008297189	0	51	-1.0	-51.39	395.87	9.15	-42.24
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008297190	0	57	-1.0	-49.04	416.04	9.85	-39.19
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008297191	0	48	-1.0	-52.23	354.98	7.01	-45.22
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)CC2CCCCC23CCC3)=C1	REAL300008297192	0	48	-1.0	-51.63	368.99	7.25	-44.38
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008297193	0	48	-1.0	-52.12	379.20	8.69	-43.43
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008297194	0	45	-1.0	-51.25	338.59	6.90	-44.35
CN(CC1CCCCC12CCC2)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008297195	0	48	-1.0	-46.63	345.20	7.46	-39.17
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)CC2CCCCC23CCC3)=C1	REAL300008297196	0	52	-1.0	-66.40	387.14	8.71	-57.69
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008297197	0	45	-1.0	-50.50	337.64	5.07	-45.43
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008297198	0	48	-1.0	-52.23	354.98	7.01	-45.22
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008297199	0	50	-2.0	-136.92	393.33	9.20	-127.72
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297200	0	55	-1.0	-47.23	414.25	8.98	-38.25
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008297201	0	47	-1.0	-47.66	359.99	6.88	-40.78
CN(CC1CCCCC12CCC2)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008297202	0	51	-1.0	-60.03	375.97	9.34	-50.69
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008297203	0	45	-1.0	-45.61	364.53	7.47	-38.14
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1CCCCC12CCC2	REAL300008297204	0	55	-1.0	-55.57	413.59	9.52	-46.05
COC1=CC=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)C(C(=O)[O-])=C1	REAL300008297205	0	52	-1.0	-69.17	388.97	9.12	-60.05
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008297206	0	47	-1.0	-53.24	362.75	6.51	-46.73
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008297207	0	45	-1.0	-43.75	347.25	5.01	-38.74
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008297208	0	48	-1.0	-54.80	363.80	5.90	-48.90
CN(CC1CCCCC12CCC2)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008297209	0	48	-1.0	-53.61	350.34	7.28	-46.33
CN(CC1CCCCC12CCC2)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008297210	0	51	-1.0	-55.40	369.85	7.92	-47.48
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)S1	REAL300008297211	0	48	-1.0	-49.47	375.06	8.47	-41.00
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008297212	0	51	-1.0	-65.17	378.92	9.98	-55.19
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008297213	0	51	-1.0	-61.93	392.81	7.42	-54.51
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008297214	0	51	-1.0	-45.69	392.96	10.02	-35.67
CN(CC1CCCCC12CCC2)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008297215	0	48	-1.0	-53.94	361.79	8.17	-45.77
CN(CC1CCCCC12CCC2)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008297216	0	53	-1.0	-52.82	372.54	8.31	-44.51
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008297217	0	45	-1.0	-43.75	347.25	5.01	-38.74
CN(CC1CCCCC12CCC2)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008297218	0	50	-1.0	-62.94	369.11	7.33	-55.61
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008297219	0	45	-1.0	-50.50	337.64	5.07	-45.43
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008297220	0	45	-1.0	-56.48	370.29	9.00	-47.48
CN(CC1CCCCC12CCC2)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008297221	0	48	-1.0	-61.33	346.96	8.01	-53.32
CC1=CC(S(=O)(=O)N(C)CC2CCCCC23CCC3)=CN=C1C(=O)[O-]	REAL300008297222	0	50	-1.0	-50.42	379.26	7.01	-43.41
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008297223	0	51	-1.0	-65.17	378.92	9.98	-55.19
CCOC1=CC=C(S(=O)(=O)N(C)CC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300008297224	0	55	-1.0	-57.41	415.83	9.26	-48.15
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008297225	0	55	-1.0	-48.06	409.21	10.64	-37.42
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008297226	0	47	-1.0	-60.61	351.31	7.88	-52.73
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297227	0	45	-1.0	-50.55	382.84	9.09	-41.46
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297228	0	45	-1.0	-55.01	382.90	9.09	-45.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297229	0	48	-1.0	-57.36	398.34	10.01	-47.35
CC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300008297230	0	48	-1.0	-53.33	398.86	9.62	-43.71
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297231	0	42	-1.0	-49.11	367.12	8.90	-40.21
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297232	0	45	-1.0	-55.01	382.90	9.09	-45.92
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297233	0	45	-1.0	-50.55	382.84	9.09	-41.46
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297234	0	45	-1.0	-52.44	373.00	9.96	-42.48
C[C@@H](NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297235	0	43	-1.0	-52.23	371.51	6.82	-45.41
C[C@@H](NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297236	0	45	-1.0	-50.99	387.52	7.18	-43.81
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297237	0	42	-1.0	-49.05	374.93	8.24	-40.81
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297238	0	42	-1.0	-53.75	359.85	6.17	-47.58
C[C@@H](NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297239	0	50	-1.0	-51.06	402.88	8.29	-42.77
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297240	0	50	-1.0	-53.56	401.34	8.47	-45.09
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297241	0	45	-1.0	-52.44	373.00	9.96	-42.48
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297242	0	42	-1.0	-50.81	368.65	7.54	-43.27
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)C2=CC=C(C3=CC=CC=C3)C=C2)O1	REAL300008297243	0	45	-1.0	-51.09	386.89	7.99	-43.10
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297244	0	44	-1.0	-53.83	368.18	7.71	-46.12
C[C@@H](NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297245	0	47	-1.0	-47.55	375.10	7.82	-39.73
C[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297246	0	48	-1.0	-59.80	405.88	9.80	-50.00
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297247	0	50	-1.0	-53.56	401.34	8.47	-45.09
C[C@@H](NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297248	0	48	-1.0	-61.42	405.89	9.79	-51.63
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297249	0	42	-1.0	-50.81	368.65	7.54	-43.27
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008297250	0	44	-1.0	-53.83	368.18	7.71	-46.12
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O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCO1	REAL300008297351	0	42	-1.0	-52.70	359.79	6.69	-46.01
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCO1	REAL300008297352	0	40	-1.0	-55.17	346.71	3.41	-51.76
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCO1	REAL300008297353	0	43	-1.0	-55.62	366.76	4.96	-50.66
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297354	0	51	-1.0	-53.89	403.59	5.02	-48.87
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CCO1	REAL300008297355	0	39	-1.0	-52.39	341.60	4.57	-47.82
COCC1=CC=C(OC)C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297356	0	47	-1.0	-56.80	387.72	3.41	-53.39
COCCC(C)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297357	0	42	-1.0	-55.18	328.54	1.96	-53.22
COC1=CC=C(F)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297358	0	40	-1.0	-54.45	339.05	3.75	-50.70
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297359	0	47	-1.0	-57.14	394.59	4.00	-53.14
O=C([O-])CC1CC(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CCO1	REAL300008297360	0	54	-1.0	-52.34	387.87	5.61	-46.73
CC1=NC2=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=CC=C2C=C1	REAL300008297361	0	44	-1.0	-60.64	365.93	5.13	-55.51
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCO1	REAL300008297362	0	44	-1.0	-60.55	371.79	5.55	-55.00
CCN(CC1CC1)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297363	0	44	-1.0	-50.24	351.50	3.85	-46.39
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCO1	REAL300008297364	0	47	-1.0	-54.27	385.45	2.20	-52.07
CCCN1C=NC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297365	0	42	-1.0	-56.50	349.36	4.85	-51.65
COCCOCCOCCS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297366	0	50	-1.0	-58.43	408.90	1.09	-57.34
O=C([O-])CC1CC(NS(=O)(=O)CCOCC2CC2)CCO1	REAL300008297367	0	43	-1.0	-54.25	351.46	3.08	-51.17
CC(COC1CCCC1)CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297368	0	52	-1.0	-55.91	400.98	5.16	-50.75
COCC(C)CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297369	0	42	-1.0	-55.86	334.44	2.10	-53.76
CCOCC(C)CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297370	0	45	-1.0	-55.84	356.30	3.07	-52.77
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297371	0	43	-1.0	-51.30	375.67	3.94	-47.36
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CCO1	REAL300008297372	0	44	-1.0	-55.33	359.36	1.49	-53.84
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCO1	REAL300008297373	0	40	-1.0	-52.75	348.87	4.02	-48.73
COC1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008297374	0	42	-1.0	-55.25	356.77	4.51	-50.74
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297375	0	42	-1.0	-51.27	358.12	5.82	-45.45
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297376	0	42	-1.0	-52.09	357.86	5.80	-46.29
CC1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300008297377	0	42	-1.0	-51.82	355.67	5.29	-46.53
CC(C)C1=CC=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297378	0	45	-1.0	-51.46	360.28	5.71	-45.75
O=C([O-])CC1CC(NS(=O)(=O)CCCN2CCOCC2)CCO1	REAL300008297379	0	48	-1.0	-56.88	374.10	0.75	-56.13
CCOC1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297380	0	43	-1.0	-55.78	352.60	3.99	-51.79
COCCN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=N1	REAL300008297381	0	43	-1.0	-54.16	361.09	1.34	-52.82
CC(C)(C)CCS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297382	0	44	-1.0	-54.57	341.00	3.96	-50.61
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCO1	REAL300008297383	0	43	-1.0	-55.02	371.78	4.19	-50.83
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCO1	REAL300008297384	0	44	-1.0	-57.78	380.45	5.83	-51.95
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCO1	REAL300008297385	0	41	-1.0	-54.03	342.43	4.11	-49.92
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=CC(Br)=C2)CCO1	REAL300008297386	0	39	-1.0	-55.82	345.43	5.11	-50.71
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=CC=C2Br)CCO1	REAL300008297387	0	39	-1.0	-52.83	347.47	4.93	-47.90
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCO1	REAL300008297388	0	43	-1.0	-62.25	372.11	1.51	-60.74
CC1CCN(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C1	REAL300008297389	0	41	-1.0	-51.93	329.64	2.59	-49.34
CC1=CC(Br)=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297390	0	39	-1.0	-51.48	350.19	4.90	-46.58
CC1=C(Br)C=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297391	0	39	-1.0	-52.49	337.98	5.22	-47.27
COCC1=CC=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297392	0	43	-1.0	-51.70	355.48	3.78	-47.92
COC1=CC(OC)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1Cl	REAL300008297393	0	44	-1.0	-53.98	375.84	3.50	-50.48
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCO1	REAL300008297394	0	39	-1.0	-59.66	345.26	2.80	-56.86
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(CC(F)F)N=C2)CCO1	REAL300008297395	0	39	-1.0	-55.94	339.27	2.62	-53.32
CC1(C)CC2=CC(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)=CC=C2O1	REAL300008297396	0	47	-1.0	-53.81	378.70	5.03	-48.78
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CCO1	REAL300008297397	0	39	-1.0	-59.02	344.59	2.97	-56.05
CSC1=CC=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297398	0	40	-1.0	-56.03	340.45	5.01	-51.02
CCC1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297399	0	42	-1.0	-53.43	344.14	5.20	-48.23
CCC1=CC=C(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297400	0	45	-1.0	-53.36	373.62	5.81	-47.55
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=CS2)CCO1	REAL300008297401	0	39	-1.0	-54.57	335.90	4.37	-50.20
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297402	0	45	-1.0	-58.50	389.61	2.05	-56.45
CC1=CC=C(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1C	REAL300008297403	0	45	-1.0	-56.54	362.55	5.70	-50.84
CC(C)CN(C)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297404	0	43	-1.0	-53.07	336.43	3.14	-49.93
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCO1	REAL300008297405	0	40	-1.0	-52.54	359.19	4.47	-48.07
CN(C1CCCC1)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297406	0	44	-1.0	-53.02	341.45	3.70	-49.32
CC1(C)CN(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)CCO1	REAL300008297407	0	45	-1.0	-51.59	350.94	1.85	-49.74
CC1=NOC(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297408	0	38	-1.0	-59.97	321.06	2.65	-57.32
CC(C)N1N=CC2=CC(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)=CC=C21	REAL300008297409	0	48	-1.0	-53.70	398.13	5.16	-48.54
CCS(=O)(=O)NCCS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297410	0	43	-1.0	-64.22	364.27	-1.48	-65.70
CC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300008297411	0	42	-1.0	-52.52	357.01	5.09	-47.43
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCO1	REAL300008297412	0	39	-1.0	-52.07	359.33	5.82	-46.25
O=C([O-])CC1CC(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CCO1	REAL300008297413	0	39	-1.0	-51.27	362.29	5.54	-45.73
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CCO1	REAL300008297414	0	42	-1.0	-58.30	362.13	6.78	-51.52
O=C([O-])CC1CC(NS(=O)(=O)CCC2CCCO2)CCO1	REAL300008297415	0	43	-1.0	-53.63	348.70	2.46	-51.17
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCO1	REAL300008297416	0	42	-1.0	-52.48	368.42	5.42	-47.06
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CCO1	REAL300008297417	0	47	-1.0	-57.23	381.57	5.12	-52.11
CC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300008297418	0	45	-1.0	-52.90	377.26	6.59	-46.31
CC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1N(C)C	REAL300008297419	0	47	-1.0	-50.84	382.34	4.30	-46.54
O=C([O-])CC1CC(NS(=O)(=O)C2=C3OCCCN3N=C2)CCO1	REAL300008297420	0	41	-1.0	-57.73	334.46	0.92	-56.81
O=C([O-])CC1CC(NS(=O)(=O)CCOCC2CCCC2)CCO1	REAL300008297421	0	49	-1.0	-53.97	385.16	4.24	-49.73
COC1=CC(C)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1Cl	REAL300008297422	0	43	-1.0	-53.79	369.55	4.34	-49.45
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297423	0	45	-1.0	-66.14	384.83	2.01	-64.13
CSC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1Cl	REAL300008297424	0	40	-1.0	-54.73	356.45	5.24	-49.49
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297425	0	48	-1.0	-51.75	380.19	4.10	-47.65
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CCO1	REAL300008297426	0	44	-1.0	-56.95	372.39	2.33	-54.62
CCC1=NOC2=NC=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=C12	REAL300008297427	0	43	-1.0	-54.40	362.49	1.45	-52.95
CN1N=CC2=CC(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)=CN=C21	REAL300008297428	0	41	-1.0	-54.48	351.81	2.76	-51.72
CCC1=CC(CC)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(CC)=C1	REAL300008297429	0	54	-1.0	-49.69	404.95	8.25	-41.44
O=C([O-])CC1CC(NS(=O)(=O)C2=CN3CCCCC3=N2)CCO1	REAL300008297430	0	43	-1.0	-57.06	350.13	3.93	-53.13
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCO1	REAL300008297431	0	42	-1.0	-52.82	369.85	1.82	-51.00
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCO1	REAL300008297432	0	45	-1.0	-60.47	370.23	7.73	-52.74
COC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C)=C1F	REAL300008297433	0	43	-1.0	-54.72	353.57	4.13	-50.59
CC1(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)CCCCC1	REAL300008297434	0	48	-1.0	-55.24	352.46	5.37	-49.87
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCO1	REAL300008297435	0	45	-1.0	-53.07	370.71	5.11	-47.96
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297436	0	54	0.0	-81.53	421.70	4.77	-76.76
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CCO1	REAL300008297437	0	44	-1.0	-54.10	370.70	5.02	-49.08
CN1N=NC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297438	0	35	-1.0	-53.93	294.38	0.24	-53.69
COCC1=CC(Cl)=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297439	0	43	-1.0	-52.26	379.28	3.86	-48.40
CC1=CC=C(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(F)=C1	REAL300008297440	0	42	-1.0	-55.33	357.41	5.08	-50.25
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297441	0	48	0.0	-77.49	385.76	5.55	-71.94
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCO1	REAL300008297442	0	36	-1.0	-50.89	336.45	4.09	-46.80
O=C([O-])CC1CC(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CCO1	REAL300008297443	0	49	-1.0	-53.94	395.73	6.94	-47.00
CC(C)(C)C1=CC(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=NO1	REAL300008297444	0	47	-1.0	-56.45	388.82	4.40	-52.05
O=C([O-])CC1CC(NS(=O)(=O)CCC2CCC2)CCO1	REAL300008297445	0	42	-1.0	-51.79	340.55	4.21	-47.58
CC(C)(C)CCCS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297446	0	47	-1.0	-54.83	362.50	4.72	-50.11
O=C([O-])CC1CC(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CCO1	REAL300008297447	0	45	-1.0	-69.36	363.92	1.05	-68.31
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCO1	REAL300008297448	0	39	-1.0	-52.65	340.53	4.36	-48.29
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCO1	REAL300008297448	1	38	-2.0	-100.34	338.43	3.93	-96.41
CC1=C(CCS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)SC=N1	REAL300008297449	0	41	-1.0	-56.32	349.65	3.01	-53.31
COCC1(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)CC1	REAL300008297450	0	40	-1.0	-54.66	326.80	2.47	-52.19
O=C([O-])CC1CC(NS(=O)(=O)CC23CCC(CC2)C3)CCO1	REAL300008297451	0	46	-1.0	-55.90	351.52	5.26	-50.64
O=C([O-])CC1CC(NS(=O)(=O)CC2CC(F)(F)C2)CCO1	REAL300008297452	0	39	-1.0	-53.93	332.29	3.61	-50.32
COC1=CC=C2C=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)CCC2=C1	REAL300008297453	0	48	-1.0	-52.57	392.61	5.39	-47.18
O=C([O-])CC1CC(NS(=O)(=O)CC23CCC(CC2)CC3)CCO1	REAL300008297454	0	49	-1.0	-53.57	362.15	5.58	-47.99
O=C([O-])CC1CC(NS(=O)(=O)CCC2CCOC2)CCO1	REAL300008297455	0	43	-1.0	-53.66	347.51	2.18	-51.48
CC(C)(CCS(=O)(=O)NC1CCOC(CC(=O)[O-])C1)S(C)(=O)=O	REAL300008297456	0	47	-1.0	-66.20	373.67	0.90	-65.30
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COC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1C	REAL300008297565	0	43	-1.0	-53.90	350.81	3.81	-50.09
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COC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C)=C1	REAL300008297567	0	43	-1.0	-53.15	348.49	4.10	-49.05
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CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1C	REAL300008297571	0	44	-1.0	-55.42	356.57	6.51	-48.91
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297572	0	45	-1.0	-59.54	379.82	2.32	-57.22
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297573	0	44	-1.0	-57.44	384.04	-0.19	-57.63
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297574	0	44	-1.0	-53.37	367.23	2.03	-51.34
CC1=NC(C)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)S1	REAL300008297575	0	38	-1.0	-53.29	325.83	2.20	-51.09
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COC1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CC=C1F	REAL300008297578	0	40	-1.0	-53.50	336.97	3.14	-50.36
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CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297583	0	44	-1.0	-59.15	363.45	5.09	-54.06
CNC(=O)C1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CN1C	REAL300008297584	0	44	-1.0	-56.01	372.22	1.31	-54.70
COC1=CC(C)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C)=C1	REAL300008297585	0	46	-1.0	-51.45	363.89	4.55	-46.90
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COC1=CC(C)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1C	REAL300008297587	0	46	-1.0	-52.64	372.96	4.63	-48.01
CC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300008297588	0	44	-1.0	-52.89	354.50	4.91	-47.98
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CCN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008297590	0	41	-1.0	-63.76	354.51	4.77	-58.99
CCN1C=C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008297590	1	40	-2.0	-114.48	343.22	4.29	-110.19
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CCC(=O)C1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297592	0	44	-1.0	-56.11	370.52	4.90	-51.21
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CCOC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C2=CC=CC=C12	REAL300008297600	0	49	-1.0	-54.82	395.60	6.54	-48.28
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297601	0	46	-1.0	-55.10	373.47	5.15	-49.95
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CCOCCOC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297604	0	50	-1.0	-53.06	414.24	4.11	-48.95
CCCCCOC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297605	0	52	-1.0	-51.11	423.26	6.24	-44.87
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CCOC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C)=C1	REAL300008297613	0	46	-1.0	-53.00	371.07	4.92	-48.08
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297614	0	44	-1.0	-57.09	377.86	-0.06	-57.15
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CSC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297616	0	40	-1.0	-51.15	347.61	4.67	-46.48
CCCCCCCS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297617	0	47	-1.0	-54.89	371.76	5.37	-49.52
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CCN(CC1=CC=CC=C1)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297619	0	47	-1.0	-54.66	378.43	5.88	-48.78
CCN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)N=C1C	REAL300008297620	0	42	-1.0	-61.23	349.42	3.64	-57.59
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O=C([O-])CC1CC(NS(=O)(=O)CC2CCCCO2)CCO1	REAL300008297624	0	43	-1.0	-58.58	340.00	3.11	-55.47
CC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1C(F)(F)F	REAL300008297625	0	42	-1.0	-51.84	355.67	5.29	-46.55
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCO1	REAL300008297626	0	45	-1.0	-55.66	372.25	5.23	-50.43
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=C12	REAL300008297627	0	44	-1.0	-54.50	367.57	3.46	-51.04
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297628	0	43	-1.0	-55.72	373.26	4.17	-51.55
COCC1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297629	0	43	-1.0	-52.41	362.52	3.36	-49.05
CC1(C)CC2=CC=CC(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)=C2O1	REAL300008297630	0	47	-1.0	-57.36	379.86	5.02	-52.34
CCN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=N1	REAL300008297631	0	39	-1.0	-56.67	327.38	2.30	-54.37
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=CC=C2Cl)CCO1	REAL300008297632	0	39	-1.0	-53.07	344.26	4.82	-48.25
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCO1	REAL300008297633	0	43	-1.0	-53.26	376.73	4.16	-49.10
CC(C1CC1)N(C)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297634	0	44	-1.0	-52.58	336.38	3.76	-48.82
CN1N=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297635	0	36	-1.0	-52.13	308.47	1.29	-50.84
O=C([O-])CC1CC(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCO1	REAL300008297636	0	39	-1.0	-55.32	351.22	5.39	-49.93
O=C([O-])CC1CC(NS(=O)(=O)CC2CCOC2)CCO1	REAL300008297637	0	40	-1.0	-57.91	321.44	1.75	-56.16
CC1CC2=CC(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)=CC=C2O1	REAL300008297638	0	44	-1.0	-52.91	364.37	4.22	-48.69
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297639	0	48	-1.0	-50.88	357.34	6.88	-44.00
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COCCN(C)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297641	0	41	-1.0	-51.61	330.93	1.13	-50.48
CN(CC1CC1)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297642	0	41	-1.0	-50.35	336.48	3.23	-47.12
CC1=NC(C2=CC=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=C2)=CO1	REAL300008297643	0	45	-1.0	-55.39	383.78	2.72	-52.67
CN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008297644	0	39	-1.0	-59.42	343.41	2.79	-56.63
CN1C=C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008297644	1	38	-2.0	-108.47	334.09	2.43	-106.04
CC1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C(C)O1	REAL300008297645	0	39	-1.0	-52.83	329.20	3.43	-49.40
CC1=CSC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297646	0	36	-1.0	-52.42	317.37	3.54	-48.88
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COC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=N1	REAL300008297649	0	39	-1.0	-52.35	328.43	0.43	-51.92
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CC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)SC=C1	REAL300008297651	0	36	-1.0	-51.65	316.36	3.20	-48.45
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CCO1	REAL300008297652	0	44	-1.0	-52.01	361.16	4.26	-47.75
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CC1=CC=C(N2C=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=N2)C=C1	REAL300008297654	0	46	-1.0	-56.37	383.27	5.52	-50.85
CC1CC2=CC(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)=CC(Cl)=C2O1	REAL300008297655	0	44	-1.0	-53.78	381.26	4.75	-49.03
CC1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008297656	0	41	-1.0	-53.06	345.46	4.95	-48.11
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=N1	REAL300008297657	0	47	-1.0	-57.26	389.08	4.49	-52.77
CC1=NN(C)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297658	0	39	-1.0	-55.87	330.02	2.20	-53.67
CC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)O1	REAL300008297659	0	36	-1.0	-53.78	311.09	2.46	-51.32
CC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)N(C)N=C1	REAL300008297660	0	39	-1.0	-52.47	317.42	2.23	-50.24
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CN(C)C1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297662	0	44	-1.0	-52.39	359.91	4.07	-48.32
CC1=CC2=CC=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=C2C=C1	REAL300008297663	0	45	-1.0	-52.77	374.69	6.56	-46.21
COC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)SC=C1	REAL300008297664	0	37	-1.0	-57.74	320.42	2.41	-55.33
CN(C)C1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297665	0	44	-1.0	-52.16	358.97	4.04	-48.12
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COC1=CC=C(CCS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297676	0	46	-1.0	-56.96	375.18	4.58	-52.38
COC1=CN=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297677	0	39	-1.0	-53.68	325.82	1.21	-52.47
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COC1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CC(OC)=C1	REAL300008297680	0	44	-1.0	-55.07	360.23	2.38	-52.69
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CC1=CC2=C(C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1)OCO2	REAL300008297683	0	42	-1.0	-55.92	350.24	3.27	-52.65
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CC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300008297688	0	44	-1.0	-56.25	356.30	5.22	-51.03
CC1=NC2=CC=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=C2O1	REAL300008297689	0	41	-1.0	-55.15	351.07	1.29	-53.86
CCC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1CC	REAL300008297690	0	48	-1.0	-52.78	378.29	6.35	-46.43
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297691	0	44	-1.0	-51.29	362.64	5.91	-45.38
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297692	0	46	-1.0	-53.81	368.18	5.35	-48.46
CC1=C(C)SC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297693	0	39	-1.0	-52.75	337.52	4.29	-48.46
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297694	0	37	-1.0	-50.87	326.57	1.79	-49.08
CC1=NC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)S1	REAL300008297695	0	35	-1.0	-53.39	312.51	1.72	-51.67
CCC1=NC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)S1	REAL300008297696	0	38	-1.0	-50.91	338.40	2.26	-48.65
CC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(N)=NO1	REAL300008297697	0	37	-1.0	-51.36	312.26	0.91	-50.45
CC1=C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)C(N)=NO1	REAL300008297697	1	36	-2.0	-94.47	308.69	0.87	-93.60
CN(C)C1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=N1	REAL300008297698	0	43	-1.0	-52.76	356.75	3.43	-49.33
CC1=CC(C)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)S1	REAL300008297699	0	39	-1.0	-52.18	333.97	4.53	-47.65
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CC1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CC(C)=C1F	REAL300008297702	0	42	-1.0	-51.15	352.41	4.90	-46.25
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CC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=N1	REAL300008297707	0	38	-1.0	-51.85	324.09	2.45	-49.40
CC1=NC(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CS1	REAL300008297708	0	38	-1.0	-56.06	337.28	2.06	-54.00
COC(CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1)C1CC1	REAL300008297709	0	43	-1.0	-52.94	349.15	2.99	-49.95
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CC1=CSC(C2=CC=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=C2)=N1	REAL300008297713	0	45	-1.0	-54.10	393.62	5.12	-48.98
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CCC(C)OC1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297718	0	49	-1.0	-55.67	391.27	5.43	-50.24
COC(CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1)C1CCCC1	REAL300008297719	0	49	-1.0	-53.09	381.54	4.46	-48.63
COC(CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1)C1CCCCC1	REAL300008297720	0	52	-1.0	-50.49	397.22	4.44	-46.05
CC1(C)CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)CO1	REAL300008297721	0	43	-1.0	-52.77	340.49	2.02	-50.75
CCOC(CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1)C1CC1	REAL300008297722	0	46	-1.0	-53.13	376.43	3.84	-49.29
CCCOC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1C(C)C	REAL300008297723	0	55	-1.0	-53.15	432.70	6.82	-46.33
CCC1=NC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CN1CC1CC1	REAL300008297724	0	49	-1.0	-56.42	400.80	6.04	-50.38
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CC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300008297726	0	44	-1.0	-53.57	371.85	6.14	-47.43
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297727	0	43	-1.0	-52.13	347.68	3.61	-48.52
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CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297729	0	39	-1.0	-52.49	341.22	2.20	-50.29
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCO1	REAL300008297730	0	46	-1.0	-56.71	370.46	7.31	-49.40
CCC1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C(C)C=C1OC	REAL300008297731	0	49	-1.0	-52.51	394.57	5.37	-47.14
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)=N1	REAL300008297732	0	37	-2.0	-114.21	329.35	2.47	-111.74
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=N1	REAL300008297732	1	38	-1.0	-61.73	331.39	2.88	-58.85
CC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300008297733	0	45	-1.0	-53.01	357.44	6.72	-46.29
CC(C)OC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=N1	REAL300008297734	0	45	-1.0	-51.64	376.66	2.18	-49.46
COC1=C(F)C=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297735	0	40	-1.0	-55.05	338.86	3.95	-51.10
CCOC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1C(C)C	REAL300008297736	0	52	-1.0	-53.46	411.20	6.02	-47.44
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1F	REAL300008297737	0	48	-1.0	-51.35	379.47	6.02	-45.33
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCO1	REAL300008297738	0	55	-1.0	-52.93	432.58	8.17	-44.76
CN1N=C2CCCCC2=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297739	0	46	-1.0	-52.45	359.40	3.91	-48.54
CN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300008297740	0	48	-1.0	-56.34	376.03	4.24	-52.10
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CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297742	0	39	-1.0	-53.26	334.75	2.68	-50.58
COC1=CC=C(F)C=C1CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297743	0	43	-1.0	-56.11	362.94	3.72	-52.39
C=CCCC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297744	0	46	-1.0	-50.96	384.63	6.42	-44.54
CCC1=NN(C)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297745	0	42	-1.0	-55.48	344.42	2.88	-52.60
O=C([O-])CC1CC(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCO1	REAL300008297746	0	40	-1.0	-54.14	350.49	5.52	-48.62
CCCOC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1CC	REAL300008297747	0	52	-1.0	-53.13	415.79	6.28	-46.85
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297748	0	42	-1.0	-49.27	351.11	5.77	-43.50
O=C([O-])CC1CC(NS(=O)(=O)CCCC2CC2)CCO1	REAL300008297749	0	42	-1.0	-55.16	338.88	4.60	-50.56
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CCCC1=CC=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297751	0	45	-1.0	-51.20	361.64	6.23	-44.97
COC1=NC=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297752	0	39	-1.0	-55.87	327.93	0.94	-54.93
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CC1=NC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)N1C	REAL300008297754	0	39	-1.0	-56.17	319.17	2.51	-53.66
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=N2)CCO1	REAL300008297755	0	35	-1.0	-55.17	297.30	2.24	-52.93
CC1=CSC(C)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297756	0	39	-1.0	-49.78	326.28	4.20	-45.58
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O=C([O-])CC1CC(NS(=O)(=O)C2=CC=NN2C2CCC2)CCO1	REAL300008297758	0	43	-1.0	-51.98	347.30	3.58	-48.40
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=NN2CC2CCC2)CCO1	REAL300008297759	0	46	-1.0	-51.84	373.02	4.50	-47.34
CC1(C)COC2=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=NN2C1	REAL300008297760	0	47	-1.0	-56.64	372.51	2.02	-54.62
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCO1	REAL300008297761	0	42	-1.0	-53.89	370.80	4.80	-49.09
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C3CCCCN23)CCO1	REAL300008297762	0	43	-1.0	-55.52	342.75	3.80	-51.72
COC1=CC(C(C)C)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1C	REAL300008297763	0	52	-1.0	-53.00	404.31	5.91	-47.09
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297764	0	46	-1.0	-54.46	378.80	5.32	-49.14
CC1CC2=CC=CC(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)=C2O1	REAL300008297765	0	44	-1.0	-53.87	365.91	4.27	-49.60
CC(C)(C)C1=NC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)S1	REAL300008297766	0	44	-1.0	-52.76	372.69	3.55	-49.21
O=C([O-])CC1CC(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCO1	REAL300008297767	0	42	-1.0	-55.07	355.63	4.10	-50.97
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297768	0	41	-1.0	-60.76	343.00	3.18	-57.58
CCN1N=NC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297769	0	38	-1.0	-52.11	317.93	1.22	-50.89
O=C([O-])CC1CC(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CCO1	REAL300008297770	0	45	-1.0	-52.67	347.49	3.76	-48.91
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CN1N=C(C2CC2)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297773	0	43	-1.0	-54.14	351.47	3.32	-50.82
CC1=CC(C)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C)=C1F	REAL300008297774	0	45	-1.0	-51.52	359.78	5.93	-45.59
COC1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1OC	REAL300008297775	0	44	-1.0	-56.03	357.50	3.64	-52.39
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CN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C2CCCC2)=N1	REAL300008297777	0	49	-1.0	-55.54	393.29	4.80	-50.74
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297778	0	48	-1.0	-52.07	383.01	4.12	-47.95
CCCCN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C)=N1	REAL300008297779	0	48	-1.0	-55.33	392.26	4.64	-50.69
CN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C2CC2)=N1	REAL300008297780	0	43	-1.0	-55.81	359.78	3.82	-51.99
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CN1N=NC2=C(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)C=CC=C21	REAL300008297782	0	41	-1.0	-66.50	346.70	2.19	-64.31
CC1(C)CCCN(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C1	REAL300008297783	0	47	-1.0	-51.83	359.37	4.04	-47.79
CN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C2CCC2)=N1	REAL300008297784	0	46	-1.0	-55.46	376.78	4.28	-51.18
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297785	0	54	-1.0	-52.64	416.04	7.83	-44.81
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)CCO1	REAL300008297786	0	46	-1.0	-53.14	382.14	4.28	-48.86
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COC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300008297788	0	45	-1.0	-60.09	371.07	5.04	-55.05
CCCC1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297789	0	45	-1.0	-53.40	365.64	5.98	-47.42
CN1N=C2CCCC2=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297790	0	43	-1.0	-53.69	346.79	3.37	-50.32
O=C([O-])CC1CC(NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)CCO1	REAL300008297791	0	42	-1.0	-52.23	335.12	3.28	-48.95
CC1=CC=CC(C)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297792	0	42	-1.0	-50.22	334.29	5.21	-45.01
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297793	0	45	-1.0	-53.53	353.67	3.60	-49.93
CC(C)(C)N1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=N1	REAL300008297794	0	45	-1.0	-52.49	372.71	3.38	-49.11
O=C([O-])CC1CC(NS(=O)(=O)C2=CNN=C2C2CCC2)CCO1	REAL300008297795	0	43	-1.0	-54.79	353.92	2.95	-51.84
CC1=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300008297796	0	41	-1.0	-51.45	358.45	3.46	-47.99
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CCO1	REAL300008297797	0	39	-1.0	-50.21	352.58	4.70	-45.51
CC1=NN(C)C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297798	0	39	-1.0	-54.49	321.78	1.79	-52.70
CC1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1C	REAL300008297799	0	42	-1.0	-52.83	336.88	5.22	-47.61
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297800	0	47	-1.0	-55.90	392.02	5.66	-50.24
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)CCO1	REAL300008297801	0	47	-1.0	-51.98	378.25	6.72	-45.26
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CCO1	REAL300008297802	0	42	-1.0	-51.98	371.05	4.71	-47.27
O=C([O-])CC1CC(NS(=O)(=O)N2CC3=CC=CC=C3C2)CCO1	REAL300008297803	0	42	-1.0	-52.16	347.30	4.10	-48.06
CN(C1CCC1)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297804	0	41	-1.0	-49.89	325.93	2.71	-47.18
O=C([O-])CC1CC(NS(=O)(=O)CC2=NOC3=C2COCC3)CCO1	REAL300008297805	0	43	-1.0	-58.93	353.46	2.12	-56.81
O=C([O-])CC1CC(NC(=O)N2CCC(F)(F)CC2)CCO1	REAL300008297806	0	40	-1.0	-47.53	314.11	6.21	-41.32
O=C([O-])CC1CC(NS(=O)(=O)C2=CSC=C2C(F)(F)F)CCO1	REAL300008297807	0	36	-1.0	-56.05	322.58	4.27	-51.78
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)CCO1	REAL300008297808	0	43	-1.0	-53.61	350.46	5.87	-47.74
COC1=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=CS1	REAL300008297809	0	37	-1.0	-54.58	326.74	2.33	-52.25
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=NN2C2CCCC2)CCO1	REAL300008297810	0	46	-1.0	-54.29	364.18	4.18	-50.11
CCC(C)N1N=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297811	0	45	-1.0	-51.56	368.13	3.58	-47.98
CN(C(C)(C)C)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297812	0	43	-1.0	-52.44	324.80	3.22	-49.22
CCC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)O1	REAL300008297813	0	39	-1.0	-53.61	332.57	3.25	-50.36
CN(C1CCCCCC1)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297814	0	50	-1.0	-53.15	372.17	4.75	-48.40
CN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300008297815	0	50	-1.0	-56.00	402.53	3.02	-52.98
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297816	0	42	-1.0	-55.61	354.46	5.30	-50.31
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)CCO1	REAL300008297817	0	40	-1.0	-53.35	346.70	3.21	-50.14
O=C([O-])CC1CC(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CCO1	REAL300008297818	0	51	-1.0	-52.06	403.10	6.25	-45.81
COC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)S1	REAL300008297819	0	37	-1.0	-52.69	327.60	2.32	-50.37
CC1=CC(C)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C2=NC=CC=C12	REAL300008297820	0	47	-1.0	-58.01	372.79	6.31	-51.70
O=C([O-])CC1CC(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)CCO1	REAL300008297821	0	44	-1.0	-53.71	360.32	3.77	-49.94
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(CCF)N=C2)CCO1	REAL300008297822	0	39	-1.0	-56.30	333.97	2.44	-53.86
CCOCC1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297823	0	46	-1.0	-52.38	384.37	4.33	-48.05
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297824	0	46	-1.0	-55.37	381.01	4.70	-50.67
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)CCO1	REAL300008297825	0	49	-1.0	-53.81	394.66	4.61	-49.20
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CCO1	REAL300008297826	0	47	-1.0	-53.87	389.87	6.61	-47.26
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2CF)CCO1	REAL300008297827	0	39	-1.0	-53.58	328.49	4.76	-48.82
CC1=CN=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297828	0	38	-1.0	-52.57	317.70	2.61	-49.96
CC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C2=CC=CC=C12	REAL300008297829	0	45	-1.0	-55.65	363.15	6.80	-48.85
CN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300008297830	0	46	-1.0	-57.84	378.71	5.38	-52.46
O=C([O-])CC1CC(NS(=O)(=O)N2CC3CC2C3)CCO1	REAL300008297831	0	39	-1.0	-53.96	316.04	2.81	-51.15
O=C([O-])CC1CC(NS(=O)(=O)C=CC2=CC=C(F)C=C2)CCO1	REAL300008297832	0	40	-1.0	-53.92	340.17	5.06	-48.86
CCOCCCS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297833	0	42	-1.0	-56.58	341.29	2.29	-54.29
O=C([O-])CC1CC(NS(=O)(=O)CCC2NC(=O)NC2=O)CCO1	REAL300008297834	0	41	-1.0	-60.84	350.14	-2.39	-63.23
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C3C=CC=CN23)CCO1	REAL300008297835	0	39	-1.0	-58.93	325.29	3.96	-54.97
O=C([O-])CC1CC(NS(=O)(=O)C2CCC(F)(F)CC2)CCO1	REAL300008297836	0	42	-1.0	-58.29	339.55	4.36	-53.93
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3SC=NC3=C2)CCO1	REAL300008297837	0	38	-1.0	-55.34	338.31	3.02	-52.32
O=C([O-])CC1CC(NS(=O)(=O)CCOC2CCOC2)CCO1	REAL300008297838	0	44	-1.0	-53.23	361.78	0.84	-52.39
O=C([O-])CC1CC(NS(=O)(=O)CC2COCCO2)CCO1	REAL300008297839	0	41	-1.0	-59.66	331.01	1.24	-58.42
CC1=NC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300008297840	0	45	-1.0	-56.58	378.45	3.14	-53.44
CC1=NC(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300008297840	1	44	-2.0	-110.40	376.61	2.64	-107.76
O=C([O-])CC1CC(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CCO1	REAL300008297841	0	53	-1.0	-55.74	379.68	6.75	-48.99
O=C([O-])CC1CC(NS(=O)(=O)CCN2C=NN=N2)CCO1	REAL300008297842	0	37	-1.0	-61.18	315.21	1.65	-59.53
CC1(C)COC(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C1	REAL300008297843	0	46	-1.0	-59.09	362.66	3.16	-55.93
O=C([O-])CC1CC(NS(=O)(=O)CC2CS(=O)(=O)C2)CCO1	REAL300008297844	0	39	-1.0	-63.71	331.41	-0.54	-64.25
CC(C)(CS(=O)(=O)NC1CCOC(CC(=O)[O-])C1)C(C)(F)F	REAL300008297845	0	44	-1.0	-53.94	339.41	4.23	-49.71
CS(=O)(=O)CCCCS(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297846	0	44	-1.0	-65.81	370.90	0.60	-65.21
CC1(C)CCC(CS(=O)(=O)NC2CCOC(CC(=O)[O-])C2)OC1	REAL300008297847	0	49	-1.0	-56.89	377.40	3.99	-52.90
O=C([O-])CC1CC(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CCO1	REAL300008297848	0	46	-1.0	-55.73	373.24	6.16	-49.57
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=CC3=NSN=C32)CCO1	REAL300008297849	0	40	-1.0	-58.35	354.91	2.69	-55.66
O=C([O-])CC1CC(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CCO1	REAL300008297850	0	46	-1.0	-58.94	382.46	6.62	-52.32
O=C([O-])CC1CC(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CCO1	REAL300008297851	0	45	-1.0	-61.59	353.52	1.65	-59.94
COCCC1(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)CC1	REAL300008297852	0	43	-1.0	-55.25	350.30	2.74	-52.51
CCN1N=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=N1	REAL300008297853	0	38	-1.0	-53.80	325.01	0.76	-53.04
CCN1N=CC(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)=N1	REAL300008297853	1	37	-2.0	-101.28	322.97	0.34	-100.94
O=C([O-])CC1CC(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CCO1	REAL300008297854	0	49	-1.0	-53.76	372.10	5.56	-48.20
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C3CC3)S2)CCO1	REAL300008297855	0	40	-1.0	-52.49	347.59	5.20	-47.29
COC1=CC=C(C=C(C)S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300008297856	0	47	-1.0	-55.01	380.78	4.96	-50.05
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297857	0	41	-1.0	-55.72	330.74	0.36	-55.36
CC1=COC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297858	0	36	-1.0	-53.64	311.02	2.33	-51.31
CC1=CC=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)O1	REAL300008297859	0	36	-1.0	-53.78	311.09	2.46	-51.32
CCC1=NNC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297860	0	39	-1.0	-53.36	331.53	1.40	-51.96
COC1=CSC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1OC	REAL300008297861	0	41	-1.0	-56.34	354.25	1.77	-54.57
O=C([O-])CC1CC(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCO1	REAL300008297862	0	48	-1.0	-52.90	362.19	4.27	-48.63
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297863	0	47	-1.0	-54.68	380.19	5.81	-48.87
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CCO1	REAL300008297864	0	40	-1.0	-57.90	351.11	4.44	-53.46
COC1=CC(F)=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(F)=C1	REAL300008297865	0	40	-1.0	-51.80	343.92	3.18	-48.62
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)C(F)=C1	REAL300008297865	1	39	-2.0	-109.55	337.55	3.29	-106.26
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CCO1	REAL300008297866	0	40	-1.0	-54.89	352.90	3.29	-51.60
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297867	0	42	-1.0	-53.47	346.30	3.85	-49.62
CN1C=CC2=CC(S(=O)(=O)NC3CCOC(CC(=O)[O-])C3)=CC=C21	REAL300008297868	0	43	-1.0	-55.10	361.09	5.40	-49.70
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297869	0	49	-1.0	-55.66	399.01	5.98	-49.68
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CCO1	REAL300008297870	0	47	-1.0	-55.22	397.84	6.55	-48.67
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1CCOC(CC(=O)[O-])C1	REAL300008297871	0	42	-1.0	-54.43	345.57	5.66	-48.77
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CCO1	REAL300008297872	0	37	-1.0	-56.80	343.61	2.57	-54.23
C=C(C)COC1=CC=CC(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300008297873	0	47	-1.0	-56.39	384.88	5.39	-51.00
CCN1C=C(S(=O)(=O)NC2CCOC(CC(=O)[O-])C2)C(C2CC2)=N1	REAL300008297874	0	46	-1.0	-55.73	383.12	4.64	-51.09
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O=C([O-])CC1CN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C2(CCC2)CO1	REAL300008312014	0	49	-1.0	-50.50	382.69	7.55	-42.95
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC(CC(=O)[O-])OCC34CCC4)C=C12	REAL300008312015	0	48	-1.0	-52.35	384.28	5.65	-46.70
COCC1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312016	0	47	-1.0	-51.35	372.95	5.66	-45.69
CC1(C)CC2=CC=CC(S(=O)(=O)N3CC(CC(=O)[O-])OCC34CCC4)=C2O1	REAL300008312017	0	51	-1.0	-51.76	386.01	7.34	-44.42
CCN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300008312018	0	43	-1.0	-51.18	344.24	4.51	-46.67
O=C([O-])CC1CN(S(=O)(=O)CC2=CC=CC=C2Cl)C2(CCC2)CO1	REAL300008312019	0	43	-1.0	-51.92	358.04	7.21	-44.71
CC(C1CC1)N(C)S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312020	0	48	-1.0	-48.21	362.45	5.95	-42.26
CN1N=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312021	0	40	-1.0	-50.65	315.22	3.52	-47.13
O=C([O-])CC1CN(S(=O)(=O)CC2CCOC2)C2(CCC2)CO1	REAL300008312022	0	44	-1.0	-49.43	338.77	3.90	-45.53
CC1CC2=CC(S(=O)(=O)N3CC(CC(=O)[O-])OCC34CCC4)=CC=C2O1	REAL300008312023	0	48	-1.0	-51.66	374.75	6.54	-45.12
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312024	0	52	-1.0	-49.03	367.55	7.91	-41.12
CCCCCS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312025	0	45	-1.0	-48.39	349.07	6.07	-42.32
COCCN(C)S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312026	0	45	-1.0	-50.26	347.05	3.97	-46.29
CN(CC1CC1)S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312027	0	45	-1.0	-48.02	348.32	5.61	-42.41
CN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C(F)(F)F)=N1	REAL300008312028	0	43	-1.0	-56.91	346.29	3.74	-53.17
CC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C(C)O1	REAL300008312029	0	43	-1.0	-51.13	332.77	5.05	-46.08
CC1=CSC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312030	0	40	-1.0	-48.84	331.94	5.67	-43.17
O=C([O-])CC1CN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C2(CCC2)CO1	REAL300008312031	0	43	-1.0	-52.22	349.79	6.52	-45.70
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C3OCOC3=C2)C2(CCC2)CO1	REAL300008312032	0	43	-1.0	-50.72	343.95	4.60	-46.12
COC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300008312033	0	43	-1.0	-49.70	345.14	2.62	-47.08
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CO2)C2(CCC2)CO1	REAL300008312034	0	37	-1.0	-50.28	302.80	4.11	-46.17
O=C([O-])CC1CN(S(=O)(=O)C2=CN=C3CCCN23)C2(CCC2)CO1	REAL300008312035	0	44	-1.0	-56.68	347.19	5.44	-51.24
O=C([O-])CC1CN(S(=O)(=O)C2=COC=C2)C2(CCC2)CO1	REAL300008312036	0	37	-1.0	-50.87	300.30	3.89	-46.98
CC1=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)SC=C1	REAL300008312037	0	40	-1.0	-49.81	331.80	5.82	-43.99
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C2(CCC2)CO1	REAL300008312038	0	48	-1.0	-50.39	371.58	6.57	-43.82
O=C([O-])CC1CN(S(=O)(=O)C2=CNC=N2)C2(CCC2)CO1	REAL300008312039	0	37	-1.0	-56.33	302.92	3.44	-52.89
CC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CC=C1[N+](=O)[O-]	REAL300008312040	0	45	-1.0	-50.24	362.07	7.12	-43.12
O=C([O-])CC1CN(S(=O)(=O)CCCF)C2(CCC2)CO1	REAL300008312041	0	39	-1.0	-49.42	312.66	4.65	-44.77
O=C([O-])CC1CN(S(=O)(=O)CCCCF)C2(CCC2)CO1	REAL300008312042	0	42	-1.0	-49.94	334.16	5.43	-44.51
CC1=NN(C)C=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312043	0	43	-1.0	-54.89	339.23	3.57	-51.32
CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)O1	REAL300008312044	0	40	-1.0	-51.88	322.34	4.80	-47.08
CC1=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)N(C)N=C1	REAL300008312045	0	43	-1.0	-51.40	330.46	3.98	-47.42
O=C([O-])CC1CN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C2(CCC2)CO1	REAL300008312046	0	42	-1.0	-53.08	349.92	5.42	-47.66
CN(C)C1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1	REAL300008312047	0	48	-1.0	-51.52	370.37	6.36	-45.16
C=C(C)CS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312048	0	40	-1.0	-48.87	317.02	4.98	-43.89
CC1=CC2=CC=C(S(=O)(=O)N3CC(CC(=O)[O-])OCC34CCC4)C=C2C=C1	REAL300008312049	0	49	-1.0	-51.68	385.17	8.86	-42.82
COC1=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)SC=C1	REAL300008312050	0	41	-1.0	-52.35	338.53	5.02	-47.33
C=CCCCS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312051	0	43	-1.0	-48.56	340.38	5.85	-42.71
CN(C)C1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312052	0	48	-1.0	-51.12	368.79	6.35	-44.77
O=C([O-])CC1CN(S(=O)(=O)CC2CCC2)C2(CCC2)CO1	REAL300008312053	0	43	-1.0	-48.50	332.81	5.82	-42.68
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC3=C2OCC3)C2(CCC2)CO1	REAL300008312054	0	45	-1.0	-52.62	354.48	5.85	-46.77
O=C([O-])CC1CN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C2(CCC2)CO1	REAL300008312055	0	45	-1.0	-56.71	367.67	6.08	-50.63
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C3CCOC3=C2)C2(CCC2)CO1	REAL300008312056	0	45	-1.0	-53.70	353.71	5.79	-47.91
O=C([O-])CC1CN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C2(CCC2)CO1	REAL300008312057	0	46	-1.0	-49.91	382.73	8.05	-41.86
CN1CCCC2=CC=C(S(=O)(=O)N3CC(CC(=O)[O-])OCC34CCC4)C=C21	REAL300008312058	0	52	-1.0	-50.92	392.09	6.50	-44.42
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C2(CCC2)CO1	REAL300008312059	0	42	-1.0	-48.80	353.45	5.24	-43.56
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312060	0	48	-1.0	-54.04	369.86	6.30	-47.74
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312061	0	48	-1.0	-53.52	369.18	7.06	-46.46
CC1=CC=C(C)C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1[N+](=O)[O-]	REAL300008312062	0	48	-1.0	-52.37	361.11	8.26	-44.11
CC1=CC(C)=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1[N+](=O)[O-]	REAL300008312063	0	48	-1.0	-47.59	366.83	7.49	-40.10
COC1=CC=C(CCS(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1	REAL300008312064	0	50	-1.0	-51.58	395.50	6.83	-44.75
COC1=CN=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312065	0	43	-1.0	-51.11	342.23	3.42	-47.69
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)S1	REAL300008312066	0	49	-1.0	-50.27	390.57	7.62	-42.65
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C2(CCC2)CO1	REAL300008312067	0	47	-1.0	-49.84	367.10	8.05	-41.79
COC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CC(OC)=C1	REAL300008312068	0	48	-1.0	-52.58	376.94	4.56	-48.02
O=C([O-])CC1CN(S(=O)(=O)CCC2CCCCC2)C2(CCC2)CO1	REAL300008312069	0	52	-1.0	-48.37	386.78	7.71	-40.66
CC1=CC2=C(C=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC13CCC3)OCO2	REAL300008312070	0	46	-1.0	-49.18	351.53	4.86	-44.32
O=C([O-])CC1CN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C2(CCC2)CO1	REAL300008312071	0	43	-1.0	-53.05	342.72	6.43	-46.62
COC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CC=C1Cl	REAL300008312072	0	44	-1.0	-49.75	363.19	5.82	-43.93
O=C([O-])CC1CN(S(=O)(=O)CCC2CCCC2)C2(CCC2)CO1	REAL300008312073	0	49	-1.0	-48.38	370.29	7.12	-41.26
CC1(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300008312074	0	40	-1.0	-48.70	307.08	5.18	-43.52
CC1=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C2=NC=CC=C2C=C1	REAL300008312075	0	48	-1.0	-55.45	365.82	7.97	-47.48
CCC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1CC	REAL300008312076	0	52	-1.0	-50.00	394.96	8.51	-41.49
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312077	0	48	-1.0	-48.47	363.20	7.41	-41.06
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312078	0	50	-1.0	-51.78	374.99	7.47	-44.31
CC1=C(C)SC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312079	0	43	-1.0	-50.56	351.51	6.39	-44.17
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312080	0	41	-1.0	-48.03	336.24	3.87	-44.16
CC1=NC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)S1	REAL300008312081	0	39	-1.0	-50.86	326.86	3.84	-47.02
CCC1=NC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)S1	REAL300008312082	0	42	-1.0	-50.50	348.34	4.59	-45.91
CC1=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(N)=NO1	REAL300008312083	0	41	-1.0	-49.02	323.74	3.48	-45.54
CN(C)C1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300008312084	0	47	-1.0	-51.09	366.35	5.80	-45.29
CC1=CC(C)=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)S1	REAL300008312085	0	43	-1.0	-49.75	350.28	6.56	-43.19
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C2(CCC2)CO1	REAL300008312086	0	46	-1.0	-50.81	347.74	7.11	-43.70
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC3=C2OCO3)C2(CCC2)CO1	REAL300008312087	0	43	-1.0	-54.67	345.07	4.65	-50.02
CC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CC(C)=C1F	REAL300008312088	0	46	-1.0	-48.98	364.93	7.28	-41.70
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C2(CCC2)CO1	REAL300008312089	0	47	-1.0	-52.58	373.93	5.70	-46.88
O=C([O-])CC1CN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C2(CCC2)CO1	REAL300008312090	0	42	-1.0	-53.26	345.75	6.21	-47.05
CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300008312091	0	42	-1.0	-49.89	334.56	4.75	-45.14
COC(CS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CC1	REAL300008312092	0	47	-1.0	-50.44	362.12	5.67	-44.77
O=C([O-])CC1CN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C2(CCC2)CO1	REAL300008312093	0	43	-1.0	-49.35	361.19	7.29	-42.06
CC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CC=C1Cl	REAL300008312094	0	43	-1.0	-48.69	353.34	7.05	-41.64
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C2(CCC2)CO1	REAL300008312095	0	46	-1.0	-53.45	366.03	6.91	-46.54
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C2(CCC2)CO1	REAL300008312096	0	48	-1.0	-56.54	367.30	6.40	-50.14
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C2(CCC2)CO1	REAL300008312097	0	49	-1.0	-56.04	377.78	6.36	-49.68
O=C([O-])CC1CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C2(CCC2)CO1	REAL300008312098	0	43	-1.0	-49.85	364.55	7.28	-42.57
CCC1(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300008312099	0	43	-1.0	-55.81	314.40	4.98	-50.83
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312100	0	53	-1.0	-50.08	408.13	7.62	-42.46
COC(CS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CCCC1	REAL300008312101	0	53	-1.0	-48.63	395.04	6.39	-42.24
COC(CS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CCCCC1	REAL300008312102	0	56	-1.0	-50.40	406.02	7.23	-43.17
CCOC(CS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2)C1CC1	REAL300008312103	0	50	-1.0	-50.56	384.07	6.49	-44.07
CCC1=NC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CN1CC1CC1	REAL300008312104	0	53	-1.0	-56.89	415.83	7.85	-49.04
O=C([O-])CC1CN(S(=O)(=O)C2=CN=C(C3CC3)S2)C2(CCC2)CO1	REAL300008312105	0	43	-1.0	-50.89	357.89	5.50	-45.39
CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C)=C1[N+](=O)[O-]	REAL300008312106	0	48	-1.0	-56.08	371.36	7.86	-48.22
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312107	0	47	-1.0	-50.83	356.90	5.44	-45.39
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312108	0	43	-1.0	-49.13	361.55	4.44	-44.69
CCC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C(C)C=C1OC	REAL300008312109	0	53	-1.0	-52.95	396.22	6.67	-46.28
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=N1	REAL300008312110	0	42	-1.0	-57.73	344.12	5.05	-52.68
CC1=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C2=CC=CC=C2C=C1	REAL300008312111	0	49	-1.0	-50.60	360.72	8.33	-42.27
CC(C)OC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300008312112	0	49	-1.0	-49.77	387.08	4.47	-45.30
COC1=C(F)C=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312113	0	44	-1.0	-54.28	349.79	6.10	-48.18
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1F	REAL300008312114	0	52	-1.0	-51.01	395.88	8.21	-42.80
CN1N=C2CCCCC2=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312115	0	50	-1.0	-50.49	372.67	5.62	-44.87
CN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C(C)(C)C)=N1	REAL300008312116	0	52	-1.0	-48.26	391.39	6.40	-41.86
O=C([O-])CC1CN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C2(CCC2)CO1	REAL300008312117	0	50	-1.0	-50.05	385.64	6.29	-43.76
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312118	0	43	-1.0	-49.97	345.11	4.28	-45.69
COC1=CC=C(F)C=C1CS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312119	0	47	-1.0	-52.16	378.89	6.17	-45.99
C=CCCC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1	REAL300008312120	0	50	-1.0	-49.71	394.87	8.74	-40.97
CCC1=NN(C)C=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312121	0	46	-1.0	-53.82	356.89	4.71	-49.11
O=C([O-])CC1CN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C2(CCC2)CO1	REAL300008312122	0	44	-1.0	-49.16	369.72	7.80	-41.36
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312123	0	46	-1.0	-47.56	352.25	7.38	-40.18
O=C([O-])CC1CN(S(=O)(=O)CCCC2CC2)C2(CCC2)CO1	REAL300008312124	0	46	-1.0	-48.47	359.20	6.85	-41.62
O=C([O-])CC1CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C2(CCC2)CO1	REAL300008312125	0	44	-1.0	-50.68	367.25	7.71	-42.97
CCCC1=CC=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312126	0	49	-1.0	-49.57	370.95	8.42	-41.15
COC1=NC=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312127	0	43	-1.0	-55.91	341.54	2.35	-53.56
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C2(CCC2)CO1	REAL300008312128	0	45	-1.0	-52.67	352.67	6.52	-46.15
CC1=NC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)N1C	REAL300008312129	0	43	-1.0	-54.92	334.85	4.90	-50.02
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC=N2)C2(CCC2)CO1	REAL300008312130	0	39	-1.0	-51.97	316.80	4.30	-47.67
CC1=CSC(C)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312131	0	43	-1.0	-48.47	335.28	6.23	-42.24
O=C([O-])CC1CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C2(CCC2)CO1	REAL300008312132	0	47	-1.0	-51.07	367.64	5.64	-45.43
O=C([O-])CC1CN(S(=O)(=O)C2=CC=NN2C2CCC2)C2(CCC2)CO1	REAL300008312133	0	47	-1.0	-50.76	367.16	5.58	-45.18
O=C([O-])CC1CN(S(=O)(=O)C2=CC=NN2CC2CCC2)C2(CCC2)CO1	REAL300008312134	0	50	-1.0	-48.38	389.79	6.51	-41.87
CC1(C)COC2=C(S(=O)(=O)N3CC(CC(=O)[O-])OCC34CCC4)C=NN2C1	REAL300008312135	0	51	-1.0	-51.15	395.32	4.02	-47.13
O=C([O-])CC1CN(S(=O)(=O)C2=CN=C3CCCCN23)C2(CCC2)CO1	REAL300008312136	0	47	-1.0	-54.88	356.94	5.92	-48.96
CC1CC2=CC=CC(S(=O)(=O)N3CC(CC(=O)[O-])OCC34CCC4)=C2O1	REAL300008312137	0	48	-1.0	-53.00	375.52	6.61	-46.39
CC(C)(C)C1=NC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)S1	REAL300008312138	0	48	-1.0	-50.80	387.00	5.67	-45.13
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312139	0	45	-1.0	-60.37	354.67	5.79	-54.58
CCN1N=NC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312140	0	42	-1.0	-50.50	325.83	3.04	-47.46
O=C([O-])CC1CN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C2(CCC2)CO1	REAL300008312141	0	49	-1.0	-49.23	362.63	5.90	-43.33
O=C([O-])CC1CN(S(=O)(=O)C2=CC3=NON=C3C=C2)C2(CCC2)CO1	REAL300008312142	0	41	-1.0	-50.53	332.79	4.73	-45.80
O=C([O-])CC1CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C2(CCC2)CO1	REAL300008312143	0	43	-1.0	-52.92	356.72	7.42	-45.50
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312144	0	47	-1.0	-50.16	368.59	5.63	-44.53
CC1=CC(C)=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C)=C1F	REAL300008312145	0	49	-1.0	-47.10	360.97	7.57	-39.53
COC1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1OC	REAL300008312146	0	48	-1.0	-55.32	372.75	5.84	-49.48
O=C([O-])CC1CN(S(=O)(=O)C2=COC3=CC=CC=C32)C2(CCC2)CO1	REAL300008312147	0	43	-1.0	-55.44	345.55	5.90	-49.54
CN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C2CCCC2)=N1	REAL300008312148	0	53	-1.0	-53.90	397.30	6.48	-47.42
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312149	0	52	-1.0	-54.72	390.65	6.27	-48.45
CCCCN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C)=N1	REAL300008312150	0	52	-1.0	-53.51	401.18	6.54	-46.97
CN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C2CC2)=N1	REAL300008312151	0	47	-1.0	-54.93	371.50	5.15	-49.78
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C2(CCC2)CO1	REAL300008312152	0	44	-1.0	-53.03	357.13	5.52	-47.51
CN1N=NC2=C(S(=O)(=O)N3CC(CC(=O)[O-])OCC34CCC4)C=CC=C21	REAL300008312153	0	45	-1.0	-64.78	363.16	4.44	-60.34
CC1(C)CCCN(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300008312154	0	51	-1.0	-47.92	358.44	5.93	-41.99
CN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C2CCC2)=N1	REAL300008312155	0	50	-1.0	-53.72	381.29	6.03	-47.69
O=C([O-])CC1CN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C2(CCC2)CO1	REAL300008312156	0	50	-1.0	-52.29	391.73	6.60	-45.69
O=C([O-])CC1CN(S(=O)(=O)C2=C(C3CC3)C=CS2)C2(CCC2)CO1	REAL300008312157	0	44	-1.0	-50.77	360.76	7.20	-43.57
CCCC1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312158	0	49	-1.0	-49.57	382.27	8.15	-41.42
CN1N=C2CCCC2=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312159	0	47	-1.0	-51.67	359.59	5.38	-46.29
O=C([O-])CC1CN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C2(CCC2)CO1	REAL300008312160	0	46	-1.0	-48.79	346.03	5.44	-43.35
CC1=CC=CC(C)=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312161	0	46	-1.0	-49.44	335.56	6.89	-42.55
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312162	0	49	-1.0	-49.19	368.16	5.83	-43.36
CC(C)(C)N1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300008312163	0	49	-1.0	-53.72	382.23	5.67	-48.05
O=C([O-])CC1CN(S(=O)(=O)C2=CNN=C2C2CCC2)C2(CCC2)CO1	REAL300008312164	0	47	-1.0	-52.42	358.26	4.74	-47.68
CC1=NN(C)C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312165	0	43	-1.0	-51.06	337.16	4.11	-46.95
CC1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1C	REAL300008312166	0	46	-1.0	-53.24	343.09	6.48	-46.76
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312167	0	51	-1.0	-53.16	402.47	7.97	-45.19
O=C([O-])CC1CN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C2(CCC2)CO1	REAL300008312168	0	51	-1.0	-50.03	388.04	9.00	-41.03
O=C([O-])CC1CN(S(=O)(=O)N2CC3=CC=CC=C3C2)C2(CCC2)CO1	REAL300008312169	0	46	-1.0	-49.81	360.16	6.37	-43.44
CN(C1CCC1)S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312170	0	45	-1.0	-47.83	338.55	5.00	-42.83
O=C([O-])CC1CN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C2(CCC2)CO1	REAL300008312171	0	40	-1.0	-50.92	332.70	6.02	-44.90
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C2(CCC2)CO1	REAL300008312172	0	47	-1.0	-50.50	366.87	8.06	-42.44
COC1=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=CS1	REAL300008312173	0	41	-1.0	-49.90	340.69	4.51	-45.39
O=C([O-])CC1CN(S(=O)(=O)C2=CC=NN2C2CCCC2)C2(CCC2)CO1	REAL300008312174	0	50	-1.0	-50.45	381.28	6.46	-43.99
CCC(C)N1N=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312175	0	49	-1.0	-50.68	376.42	5.81	-44.87
CN(C(C)(C)C)S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312176	0	47	-1.0	-47.94	335.20	4.78	-43.16
CCC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)O1	REAL300008312177	0	43	-1.0	-51.75	343.82	5.58	-46.17
CN(C1CCCCCC1)S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312178	0	54	-1.0	-48.32	385.50	6.87	-41.45
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312179	0	46	-1.0	-53.42	371.10	7.47	-45.95
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C2(CCC2)CO1	REAL300008312180	0	44	-1.0	-51.61	357.13	5.52	-46.09
COC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)S1	REAL300008312181	0	41	-1.0	-49.75	341.70	4.43	-45.32
O=C([O-])CC1CN(S(=O)(=O)C2=CN(CCF)N=C2)C2(CCC2)CO1	REAL300008312182	0	43	-1.0	-50.33	350.83	4.64	-45.69
CCOCC1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312183	0	50	-1.0	-51.16	394.80	6.63	-44.53
O=C([O-])CC1CN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C2(CCC2)CO1	REAL300008312184	0	53	-1.0	-52.61	404.10	6.90	-45.71
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC=C2CF)C2(CCC2)CO1	REAL300008312185	0	43	-1.0	-50.10	339.93	7.07	-43.03
CC1=CN=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312186	0	42	-1.0	-49.81	334.10	4.80	-45.01
CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C2=CC=CC=C12	REAL300008312187	0	49	-1.0	-55.88	369.92	7.94	-47.94
O=C([O-])CC1CN(S(=O)(=O)N2CC3CC2C3)C2(CCC2)CO1	REAL300008312188	0	43	-1.0	-49.37	330.04	4.84	-44.53
O=C([O-])CC1CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C2(CCC2)CO1	REAL300008312189	0	44	-1.0	-49.31	359.40	7.35	-41.96
CCOCCCS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312190	0	46	-1.0	-49.49	361.60	4.55	-44.94
O=C([O-])CC1CN(S(=O)(=O)CCC2NC(=O)NC2=O)C2(CCC2)CO1	REAL300008312191	0	45	-1.0	-54.84	364.56	-0.07	-54.91
O=C([O-])CC1CN(S(=O)(=O)C2=CN=C3C=CC=CN23)C2(CCC2)CO1	REAL300008312192	0	43	-1.0	-53.74	343.80	6.32	-47.42
O=C([O-])CC1CN(S(=O)(=O)C2CCC(F)(F)CC2)C2(CCC2)CO1	REAL300008312193	0	46	-1.0	-48.45	348.00	6.25	-42.20
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C2(CCC2)CO1	REAL300008312194	0	42	-1.0	-54.50	348.87	5.33	-49.17
O=C([O-])CC1CN(S(=O)(=O)CCOC2CCOC2)C2(CCC2)CO1	REAL300008312195	0	48	-1.0	-50.35	375.54	3.22	-47.13
O=C([O-])CC1CN(S(=O)(=O)CC2COCCO2)C2(CCC2)CO1	REAL300008312196	0	45	-1.0	-50.36	348.84	3.45	-46.91
O=C([O-])CC1CN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C2(CCC2)CO1	REAL300008312197	0	57	-1.0	-48.52	397.71	8.91	-39.61
CC1(C)COC(CS(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C1	REAL300008312198	0	50	-1.0	-51.49	380.87	5.52	-45.97
O=C([O-])CC1CN(S(=O)(=O)CC2CS(=O)(=O)C2)C2(CCC2)CO1	REAL300008312199	0	43	-1.0	-55.68	351.69	1.73	-53.95
CC(C)(CS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2)C(C)(F)F	REAL300008312200	0	48	-1.0	-50.88	359.72	6.50	-44.38
CS(=O)(=O)CCCCS(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312201	0	48	-1.0	-60.96	391.20	2.86	-58.10
CC1(C)CCC(CS(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)OC1	REAL300008312202	0	53	-1.0	-49.04	395.44	6.15	-42.89
O=C([O-])CC1CN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C2(CCC2)CO1	REAL300008312203	0	50	-1.0	-48.55	391.27	8.34	-40.21
O=C([O-])CC1CN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C2(CCC2)CO1	REAL300008312204	0	44	-1.0	-52.92	368.58	5.07	-47.85
O=C([O-])CC1CN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C2(CCC2)CO1	REAL300008312205	0	49	-1.0	-52.71	373.47	3.92	-48.79
COCCC1(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300008312206	0	47	-1.0	-47.36	350.63	5.22	-42.14
CCN1N=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=N1	REAL300008312207	0	42	-1.0	-51.67	340.69	3.07	-48.60
O=C([O-])CC1CN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C2(CCC2)CO1	REAL300008312208	0	53	-1.0	-48.30	388.25	8.05	-40.25
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C3CC3)S2)C2(CCC2)CO1	REAL300008312209	0	44	-1.0	-49.30	362.04	7.32	-41.98
COC1=CC=C(C=C(C)S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1	REAL300008312210	0	51	-1.0	-50.30	394.40	7.09	-43.21
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312211	0	45	-1.0	-50.21	344.27	2.91	-47.30
CC1=COC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312212	0	40	-1.0	-51.44	322.32	4.66	-46.78
CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)O1	REAL300008312213	0	40	-1.0	-51.88	322.34	4.80	-47.08
CCC1=NNC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312214	0	43	-1.0	-52.48	334.03	3.41	-49.07
COC1=CSC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1OC	REAL300008312215	0	45	-1.0	-50.26	369.62	4.81	-45.45
O=C([O-])CC1CN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C2(CCC2)CO1	REAL300008312216	0	52	-1.0	-48.18	378.41	6.42	-41.76
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312217	0	51	-1.0	-48.63	398.31	7.87	-40.76
COC1=CC(F)=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(F)=C1	REAL300008312218	0	44	-1.0	-50.11	354.62	5.43	-44.68
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312219	0	46	-1.0	-53.48	355.70	5.55	-47.93
CN1C=CC2=CC(S(=O)(=O)N3CC(CC(=O)[O-])OCC34CCC4)=CC=C21	REAL300008312220	0	47	-1.0	-54.69	371.61	7.71	-46.98
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312221	0	46	-1.0	-55.20	356.05	7.65	-47.55
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312222	0	51	-1.0	-50.36	401.56	7.56	-42.80
CCN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C2CC2)=N1	REAL300008312223	0	50	-1.0	-54.76	393.03	6.00	-48.76
CC1=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C2=NSN=C2C=C1	REAL300008312224	0	44	-1.0	-51.41	348.89	5.22	-46.19
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312225	0	53	-1.0	-49.96	405.20	7.04	-42.92
O=C([O-])CC1CN(S(=O)(=O)C2=C(Cl)OC=C2)C2(CCC2)CO1	REAL300008312226	0	37	-1.0	-49.59	310.35	4.16	-45.43
O=C([O-])CC1CN(S(=O)(=O)C2=CC(Cl)=CS2)C2(CCC2)CO1	REAL300008312227	0	37	-1.0	-48.31	326.97	5.52	-42.79
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312228	0	48	-1.0	-53.29	363.65	3.45	-49.84
O=C([O-])CC1CN(S(=O)(=O)C2=CC=CC=C2C2CC2)C2(CCC2)CO1	REAL300008312229	0	47	-1.0	-54.26	349.80	7.12	-47.14
CC1(C)CCN(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300008312230	0	51	-1.0	-48.48	369.62	5.97	-42.51
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312231	0	43	-1.0	-52.22	358.30	2.84	-49.38
COC1=NC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=C1C	REAL300008312232	0	46	-1.0	-49.78	365.21	3.33	-46.45
CC(C)CN1C=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300008312233	0	49	-1.0	-53.54	385.13	6.05	-47.49
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312234	0	49	-1.0	-53.17	376.85	5.52	-47.65
O=C([O-])CC1CN(S(=O)(=O)N2CCN(CC(F)F)CC2)C2(CCC2)CO1	REAL300008312235	0	50	-1.0	-48.42	381.32	3.77	-44.65
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)N=C1	REAL300008312236	0	51	-1.0	-50.13	391.87	6.74	-43.39
CC(C)N1N=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312237	0	46	-1.0	-50.47	358.09	5.17	-45.30
O=C([O-])CC1CN(S(=O)(=O)C2=CC=NN2CC2CC2)C2(CCC2)CO1	REAL300008312238	0	47	-1.0	-48.56	374.67	5.96	-42.60
O=C([O-])CC1CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C2(CCC2)CO1	REAL300008312239	0	47	-1.0	-51.68	375.01	7.10	-44.58
O=C([O-])CC1CN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C2(CCC2)CO1	REAL300008312240	0	42	-1.0	-51.09	351.04	5.21	-45.88
O=C([O-])CC1CN(S(=O)(=O)N2CCC3=CC=CN=C32)C2(CCC2)CO1	REAL300008312241	0	45	-1.0	-52.17	352.06	6.84	-45.33
CC1=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=NN1C(C)C	REAL300008312242	0	49	-1.0	-54.03	378.99	5.03	-49.00
O=C([O-])CC1CN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C2(CCC2)CO1	REAL300008312243	0	45	-1.0	-53.61	352.88	6.70	-46.91
CC1=CN=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(C)=C1	REAL300008312244	0	45	-1.0	-52.44	354.76	5.64	-46.80
CC1=CN=CC=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312245	0	42	-1.0	-48.82	318.85	4.51	-44.31
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312246	0	48	-1.0	-54.22	374.68	1.72	-52.50
O=C([O-])CC1CN(S(=O)(=O)N2CC3CCC(C2)O3)C2(CCC2)CO1	REAL300008312247	0	47	-1.0	-49.06	349.27	4.02	-45.04
N#CC1CCN(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)CC1	REAL300008312248	0	46	-1.0	-51.10	356.44	5.41	-45.69
COC1=CC=NC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312249	0	43	-1.0	-52.93	345.14	3.78	-49.15
C=CCN(CC=C)S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312250	0	46	-1.0	-47.41	362.65	6.03	-41.38
COC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)N=C1	REAL300008312251	0	43	-1.0	-53.35	343.09	3.32	-50.03
CC1=CC=CN=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312252	0	42	-1.0	-50.76	326.10	5.08	-45.68
O=C([O-])CC1CN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C2(CCC2)CO1	REAL300008312253	0	45	-1.0	-53.60	347.98	5.55	-48.05
CCOC1=CC=CN=C1S(=O)(=O)N1CC(CC(=O)[O-])OCC12CCC2	REAL300008312254	0	46	-1.0	-56.06	362.56	5.31	-50.75
CC1=CC=C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)C2=NC=CC=C12	REAL300008312255	0	48	-1.0	-55.10	372.02	7.84	-47.26
CC1=CC(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CC=N1	REAL300008312256	0	42	-1.0	-50.15	334.62	4.78	-45.37
O=C([O-])CC1CN(S(=O)(=O)C2=CNC3=CC=CC=C32)C2(CCC2)CO1	REAL300008312257	0	44	-1.0	-55.77	351.28	5.90	-49.87
O=C([O-])CC1CN(S(=O)(=O)N2CCC(F)(F)C2)C2(CCC2)CO1	REAL300008312258	0	42	-1.0	-47.20	334.49	4.40	-42.80
O=C([O-])CC1CN(S(=O)(=O)C2=CN=CS2)C2(CCC2)CO1	REAL300008312259	0	36	-1.0	-50.55	304.91	3.13	-47.42
O=C([O-])CC1CN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C2(CCC2)CO1	REAL300008312260	0	42	-1.0	-51.06	349.45	5.18	-45.88
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC(CC(=O)[O-])OCC23CCC3)=C1	REAL300008312261	0	53	-1.0	-55.74	404.64	7.15	-48.59
COC1=CC(F)=CC(F)=C1C1CN(S(=O)(=O)CCCC(=O)[O-])CCO1	REAL300008312262	0	43	-1.0	-52.55	369.68	4.59	-47.96
COC1=CC(F)=CC(F)=C1C1CN(S(=O)(=O)CCCC(=O)[O-])CCO1	REAL300008312263	0	43	-1.0	-52.55	369.68	4.59	-47.96
COC1=CC(F)=CC(F)=C1C1CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO1	REAL300008312264	0	45	-1.0	-48.00	378.37	4.04	-43.96
COC1=CC(F)=CC(F)=C1C1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCO1	REAL300008312265	0	44	-1.0	-45.72	360.87	4.80	-40.92
COC1=CC(F)=CC(F)=C1C1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1	REAL300008312266	0	44	-1.0	-53.56	373.73	5.12	-48.44
COC1=CC(F)=CC(F)=C1C1CN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CCO1	REAL300008312267	0	44	-1.0	-54.81	380.26	5.29	-49.52
COC1=CC(F)=CC(F)=C1C1CN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	REAL300008312268	0	44	-1.0	-59.01	363.88	5.69	-53.32
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008312269	0	41	-1.0	-54.58	344.92	4.87	-49.71
CCCCC(C)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008312270	0	37	-1.0	-43.57	319.91	6.40	-37.17
CCCCC(C)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008312271	0	41	-1.0	-48.20	348.69	5.39	-42.81
CCCCC(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300008312272	0	41	-1.0	-44.92	355.40	6.03	-38.89
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008312273	0	43	-1.0	-56.74	348.78	6.51	-50.23
CCCCC(C)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008312274	0	44	-1.0	-53.53	372.66	4.82	-48.71
CCCCC(C)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008312275	0	40	-1.0	-42.07	341.89	6.88	-35.19
CCCCC(C)NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008312276	0	40	-1.0	-53.05	346.33	7.48	-45.57
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300008312277	0	42	-1.0	-43.16	355.85	6.14	-37.02
CCCCC(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008312278	0	37	-1.0	-48.14	334.33	5.61	-42.53
CCCCC(C)NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008312279	0	37	-1.0	-48.12	338.89	5.71	-42.41
CCCCC(C)NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008312280	0	41	-1.0	-58.10	344.87	5.18	-52.92
CCCCC(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008312281	0	42	-1.0	-51.95	352.25	5.58	-46.37
CCCCC(C)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008312282	0	44	-1.0	-53.53	372.66	4.82	-48.71
CCCCC(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008312283	0	37	-1.0	-48.14	334.33	5.61	-42.53
CCCCC(C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008312284	0	37	-1.0	-50.60	315.01	5.52	-45.08
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008312285	0	40	-1.0	-50.05	345.06	6.37	-43.68
CCCCC(C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008312286	0	43	-1.0	-51.35	364.52	6.45	-44.90
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008312287	0	41	-1.0	-54.58	344.92	4.87	-49.71
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300008312288	0	41	-1.0	-45.60	350.21	5.07	-40.53
CCCCC(C)NS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300008312289	0	38	-1.0	-49.61	328.04	2.96	-46.65
CCCCC(C)NS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300008312290	0	40	-1.0	-47.78	355.45	6.26	-41.52
CCCCC(C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008312291	0	42	-1.0	-48.58	352.40	5.71	-42.87
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008312292	0	40	-1.0	-47.73	347.71	5.92	-41.81
CCCCC(C)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008312293	0	44	-1.0	-49.63	359.56	6.86	-42.77
CCCCC(C)NS(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300008312294	0	40	-1.0	-52.61	341.52	5.00	-47.61
CCCCC(C)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008312295	0	39	-1.0	-44.11	331.64	6.55	-37.56
CCCCC(C)NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008312296	0	40	-1.0	-50.50	355.39	6.60	-43.90
CCCCC(C)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008312297	0	39	-1.0	-38.99	331.47	6.55	-32.44
CCCCC(C)NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008312298	0	39	-1.0	-45.81	327.04	3.75	-42.06
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008312299	0	41	-1.0	-48.71	345.60	4.99	-43.72
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008312300	0	41	-1.0	-54.24	344.86	5.19	-49.05
CCCCC(C)NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300008312301	0	44	-1.0	-57.97	356.22	5.54	-52.43
CCCCC(C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008312302	0	40	-1.0	-50.51	345.23	5.94	-44.57
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008312303	0	40	-1.0	-45.96	356.27	6.10	-39.86
CCCCC(C)NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008312304	0	46	-1.0	-50.27	372.50	6.79	-43.48
CCCCC(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008312305	0	43	-1.0	-50.24	352.91	7.25	-42.99
CCCCC(C)NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008312306	0	37	-1.0	-43.58	324.47	6.50	-37.08
CCCCC(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008312307	0	37	-1.0	-50.44	330.10	5.50	-44.94
CCCCC(C)NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300008312308	0	41	-1.0	-48.30	332.56	5.19	-43.11
CCCCC(C)NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300008312309	0	49	-1.0	-49.85	390.67	6.13	-43.72
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008312310	0	39	-2.0	-137.29	344.45	6.07	-131.22
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300008312311	0	44	-1.0	-53.52	361.49	5.13	-48.39
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008312312	0	34	-1.0	-45.84	316.25	3.76	-42.08
CCCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008312312	1	33	-2.0	-94.01	312.01	3.61	-90.40
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008312313	0	43	-1.0	-50.53	352.67	7.30	-43.23
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OCC	REAL300008312314	0	44	-1.0	-54.19	366.78	5.79	-48.40
CCCCC(C)NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300008312315	0	41	-1.0	-50.87	332.87	5.19	-45.68
CCCCC(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008312316	0	43	-1.0	-51.76	363.45	7.37	-44.39
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008312317	0	37	-1.0	-50.44	329.48	4.87	-45.57
CCCCC(C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008312318	0	43	-1.0	-52.67	348.73	8.14	-44.53
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008312319	0	40	-1.0	-45.69	337.50	6.48	-39.21
CCCCC(C)NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008312320	0	37	-1.0	-48.41	347.87	5.73	-42.68
CCCCC(C)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008312321	0	40	-1.0	-66.24	345.17	3.79	-62.45
CCCCC(C)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008312322	0	40	-1.0	-44.81	343.03	6.34	-38.47
CCCCC(C)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008312323	0	34	-1.0	-41.41	316.76	5.47	-35.94
CCCCC(C)NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008312324	0	39	-1.0	-51.77	330.27	3.85	-47.92
CCCCC(C)NS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300008312325	0	44	-1.0	-59.71	366.73	6.09	-53.62
CCCCC(C)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008312326	0	44	-1.0	-49.79	363.06	7.00	-42.79
CCCCC(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008312327	0	42	-1.0	-54.57	357.33	5.41	-49.16
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1OCC1=CC=CC=C1	REAL300008312328	0	49	-1.0	-48.32	414.49	7.84	-40.48
CC1(C)CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1OCC1=CC=CC=C1	REAL300008312329	0	49	-1.0	-55.55	416.48	7.59	-47.96
CC1(C)CC(NS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C1OCC1=CC=CC=C1	REAL300008312330	0	46	-1.0	-50.12	397.60	7.27	-42.85
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CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1OCC1=CC=CC=C1	REAL300008312332	0	49	-1.0	-48.32	414.49	7.84	-40.48
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312333	0	49	-1.0	-53.17	402.78	8.32	-44.85
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CC1(C)CC(NS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C1OCC1=CC=CC=C1	REAL300008312335	0	49	-1.0	-54.59	421.72	5.74	-48.85
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1OCC1=CC=CC=C1	REAL300008312336	0	46	-1.0	-54.12	409.21	6.73	-47.39
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CC1(C)CC(NS(=O)(=O)N2CCCC(C(=O)[O-])C2)C1OCC1=CC=CC=C1	REAL300008312338	0	54	-1.0	-50.96	427.77	6.81	-44.15
CC1(C)CC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1OCC1=CC=CC=C1	REAL300008312339	0	54	-1.0	-47.74	427.22	6.81	-40.93
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312340	0	49	-1.0	-53.17	402.78	8.32	-44.85
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1OCC1=CC=CC=C1	REAL300008312341	0	46	-1.0	-56.96	401.90	5.98	-50.98
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CC(C)(C)C2OCC2=CC=CC=C2)O1	REAL300008312342	0	49	-1.0	-54.99	420.13	6.45	-48.54
CC1(C)CC(NS(=O)(=O)CCCC(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312343	0	48	-1.0	-54.42	385.52	7.39	-47.03
CC1(C)CC(NS(=O)(=O)N2CCCC2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312344	0	51	-1.0	-60.72	417.72	6.20	-54.52
CC1(C)CC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1OCC1=CC=CC=C1	REAL300008312345	0	54	-1.0	-47.74	427.22	6.81	-40.93
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1OCC1=CC=CC=C1	REAL300008312346	0	46	-1.0	-56.96	401.90	5.98	-50.98
CC1(C)CC(NS(=O)(=O)CCCC(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312347	0	48	-1.0	-54.42	385.52	7.39	-47.03
CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1OCC1=CC=CC=C1	REAL300008312348	0	46	-1.0	-52.08	403.03	7.12	-44.96
CC1(C)CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1OCC1=CC=CC=C1	REAL300008312349	0	46	-1.0	-50.52	401.70	7.07	-43.45
CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C1OCC1=CC=CC=C1	REAL300008312350	0	46	-1.0	-50.69	394.83	6.21	-44.48
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CC1(C)CC(NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C1OCC1=CC=CC=C1	REAL300008312352	0	48	-1.0	-46.53	404.93	6.24	-40.29
CC1(C)CC(NS(=O)(=O)C2=CSN=C2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312353	0	45	-1.0	-55.37	378.70	7.00	-48.37
CC1(C)CC(NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C1OCC1=CC=CC=C1	REAL300008312354	0	45	-1.0	-64.92	397.53	5.29	-59.63
CC1(C)CC(NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312355	0	48	-1.0	-56.70	402.54	6.72	-49.98
CC1(C)CC(NS(=O)(=O)CCCCCC(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312356	0	54	-1.0	-54.89	428.51	8.95	-45.94
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C1OCC1=CC=CC=C1	REAL300008312357	0	48	-1.0	-52.90	405.62	6.25	-46.65
CN(CCC(=O)[O-])S(=O)(=O)NC1CC(C)(C)C1OCC1=CC=CC=C1	REAL300008312358	0	50	-1.0	-50.46	412.70	6.01	-44.45
CC1(C)CC(NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1OCC1=CC=CC=C1	REAL300008312359	0	52	-1.0	-55.84	425.26	7.39	-48.45
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CC1(C)CC(NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C1OCC1=CC=CC=C1	REAL300008312362	0	46	-1.0	-56.00	394.35	6.48	-49.52
CC1(C)CC(NS(=O)(=O)C2(C(=O)[O-])CCC2)C1OCC1=CC=CC=C1	REAL300008312363	0	49	-1.0	-48.64	399.34	7.09	-41.55
CC1(C)CC(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312364	0	46	-1.0	-57.16	389.08	4.51	-52.65
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CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1OCC1=CC=CC=C1	REAL300008312366	0	48	-1.0	-53.61	412.63	5.71	-47.90
CC1(C)CC(NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C1OCC1=CC=CC=C1	REAL300008312367	0	48	-1.0	-61.51	412.66	5.82	-55.69
CC1(C)CC(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1OCC1=CC=CC=C1	REAL300008312368	0	46	-1.0	-48.65	395.64	3.90	-44.75
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CC1(C)CC(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1OCC1=CC=CC=C1	REAL300008312370	0	49	-1.0	-55.44	406.74	6.77	-48.67
CC1(C)CC(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1OCC1=CC=CC=C1	REAL300008312371	0	52	-1.0	-56.45	423.07	7.32	-49.13
CC1(C)CC(NS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312372	0	49	-1.0	-54.86	411.06	7.17	-47.69
CC1(C)CC(NS(=O)(=O)N2CCCCC2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312373	0	54	-1.0	-51.32	419.43	7.49	-43.83
CC1(C)CC(NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1OCC1=CC=CC=C1	REAL300008312374	0	46	-1.0	-48.65	395.64	3.90	-44.75
CC1(C)CC(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312375	0	51	-1.0	-58.14	414.66	7.03	-51.11
CC1(C)CC(NS(=O)(=O)C2=NNC=C2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312376	0	46	-1.0	-57.16	389.08	4.51	-52.65
CC1(C)CC(NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312377	0	49	-1.0	-60.56	386.00	7.66	-52.90
CC1(C)CC(NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C1OCC1=CC=CC=C1	REAL300008312378	0	48	-1.0	-47.58	398.95	6.54	-41.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312379	0	33	-1.0	-55.67	298.93	4.00	-51.67
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312380	0	34	-1.0	-56.53	304.67	2.91	-53.62
CC1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1C(=O)[O-]	REAL300008312381	0	33	-1.0	-51.41	300.31	3.62	-47.79
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COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312389	0	34	-1.0	-46.77	323.17	4.07	-42.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1C	REAL300008312390	0	36	-1.0	-56.67	315.88	4.53	-52.14
CC1=CC=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1C(=O)[O-]	REAL300008312391	0	33	-1.0	-53.51	300.93	4.14	-49.37
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312392	0	37	-1.0	-53.19	339.35	2.80	-50.39
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312393	0	33	-1.0	-42.18	312.28	4.97	-37.21
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312394	0	33	-1.0	-50.78	293.47	3.83	-46.95
O=C([O-])C1=C(S(=O)(=O)NCC2=CN=CN=C2)C2=CC=CC=C2S1	REAL300008312395	0	33	-1.0	-52.01	311.81	5.41	-46.60
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1	REAL300008312396	0	33	-1.0	-50.91	306.45	3.87	-47.04
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1[N+](=O)[O-]	REAL300008312397	0	35	-1.0	-45.28	322.53	4.12	-41.16
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312398	0	33	-1.0	-54.03	306.45	3.86	-50.17
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312399	0	26	-1.0	-51.17	261.80	1.35	-49.82
O=C([O-])C1=C(S(=O)(=O)NCC2=CN=CN=C2)SC=N1	REAL300008312400	0	26	-1.0	-55.21	265.85	0.80	-54.41
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312401	0	30	-1.0	-49.88	301.01	3.60	-46.28
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312402	0	30	-1.0	-49.80	305.58	3.70	-46.10
COC1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1C(=O)[O-]	REAL300008312403	0	34	-1.0	-57.69	311.58	3.16	-54.53
CC1=CC(S(=O)(=O)NCC2=CN=CN=C2)=CC=C1C(=O)[O-]	REAL300008312404	0	33	-1.0	-50.16	300.29	3.63	-46.53
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCC3=CN=CN=C3)C=CC=C21	REAL300008312405	0	35	-1.0	-54.68	317.02	3.52	-51.16
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312406	0	37	-1.0	-53.19	339.35	2.80	-50.39
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312407	0	30	-1.0	-49.88	301.01	3.60	-46.28
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312408	0	30	-1.0	-49.58	284.84	3.69	-45.89
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312409	0	33	-1.0	-50.38	312.80	4.42	-45.96
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3=CN=CN=C3)C=C21	REAL300008312410	0	36	-1.0	-53.92	331.22	4.43	-49.49
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CN=CN=C2)C=C1	REAL300008312411	0	33	-1.0	-61.70	308.07	3.81	-57.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312412	0	34	-1.0	-56.53	304.67	2.91	-53.62
CC1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1C(=O)[O-]	REAL300008312413	0	33	-1.0	-51.41	300.31	3.62	-47.79
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312414	0	33	-1.0	-55.67	298.93	4.00	-51.67
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312415	0	34	-1.0	-46.11	318.14	3.14	-42.97
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312416	0	33	-1.0	-54.03	306.45	3.86	-50.17
COC1=C(S(=O)(=O)NCC2=CN=CN=C2)SC(C(=O)[O-])=C1	REAL300008312417	0	31	-1.0	-48.06	302.50	1.38	-46.68
CC1=C(Br)C=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1C(=O)[O-]	REAL300008312418	0	33	-1.0	-47.69	322.13	4.25	-43.44
O=C([O-])C1CC2=CC(S(=O)(=O)NCC3=CN=CN=C3)=CC=C2O1	REAL300008312419	0	35	-1.0	-51.57	321.10	3.75	-47.82
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1C(F)(F)F	REAL300008312420	0	33	-1.0	-50.26	314.39	3.90	-46.36
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCC3=CN=CN=C3)C=C2)CC1	REAL300008312421	0	37	-1.0	-55.75	330.41	4.98	-50.77
CCC1=C(S(=O)(=O)NCC2=CN=CN=C2)C=C(C(=O)[O-])O1	REAL300008312422	0	33	-1.0	-53.01	308.59	3.01	-50.00
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312423	0	32	-1.0	-44.90	301.78	4.64	-40.26
O=C([O-])C1=CC2=CC(S(=O)(=O)NCC3=CN=CN=C3)=CC=C2S1	REAL300008312424	0	33	-1.0	-53.13	322.15	4.59	-48.54
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312425	0	32	-1.0	-39.34	301.75	4.63	-34.71
CC1=NC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1C(=O)[O-]	REAL300008312426	0	32	-1.0	-46.33	295.72	1.81	-44.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312427	0	34	-1.0	-49.72	304.66	2.91	-46.81
COC1=CC(S(=O)(=O)NCC2=CN=CN=C2)=CC=C1C(=O)[O-]	REAL300008312428	0	34	-1.0	-56.14	311.55	3.16	-52.98
COC1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C(CC(=O)[O-])=C1	REAL300008312429	0	37	-1.0	-58.66	326.26	3.56	-55.10
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1F	REAL300008312430	0	33	-1.0	-53.34	311.90	3.92	-49.42
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312431	0	33	-1.0	-46.33	322.99	4.08	-42.25
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1	REAL300008312432	0	39	-1.0	-52.93	339.20	4.77	-48.16
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3=CN=CN=C3)C=CC=C12	REAL300008312433	0	36	-1.0	-52.60	320.51	5.31	-47.29
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312434	0	30	-1.0	-43.42	294.88	4.59	-38.83
O=C([O-])C1=CC(S(=O)(=O)NCC2=CN=CN=C2)=CC=C1Cl	REAL300008312435	0	30	-1.0	-50.46	296.80	3.48	-46.98
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312436	0	34	-1.0	-47.93	302.97	3.28	-44.65
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC2=CN=CN=C2)=C1OC	REAL300008312437	0	42	-1.0	-51.54	372.64	4.23	-47.31
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1C(=O)[O-]	REAL300008312438	0	32	-2.0	-133.87	311.15	4.05	-129.82
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312439	0	37	-1.0	-53.81	330.68	3.22	-50.59
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1=CN=CN=C1	REAL300008312440	0	33	-1.0	-57.37	298.03	4.24	-53.13
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312441	0	27	-1.0	-47.48	283.94	1.74	-45.74
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CN=CN=C2)=C1	REAL300008312441	1	26	-2.0	-90.80	281.70	1.35	-89.45
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C2=CC=CC=C12	REAL300008312442	0	36	-1.0	-52.10	320.19	5.32	-46.78
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312443	0	37	-1.0	-55.74	326.53	3.83	-51.91
COC1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C(C(=O)[O-])=C1	REAL300008312444	0	34	-1.0	-50.56	303.02	3.26	-47.30
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC3=CN=CN=C3)C=C2C=C1	REAL300008312445	0	36	-1.0	-54.97	330.17	5.35	-49.62
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CN=CN=C2)S1	REAL300008312446	0	30	-1.0	-51.60	295.55	2.81	-48.79
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312447	0	36	-1.0	-52.32	319.31	6.24	-46.08
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC2=CN=CN=C2)=C1	REAL300008312448	0	33	-1.0	-46.48	309.08	4.68	-41.80
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312449	0	33	-1.0	-57.72	296.80	4.25	-53.47
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC1=CN=CN=C1)=C2	REAL300008312450	0	30	-1.0	-51.01	314.01	3.67	-47.34
O=C([O-])C1=NC(S(=O)(=O)NCC2=CN=CN=C2)=C2C=CC=CN12	REAL300008312451	0	33	-1.0	-67.90	310.62	1.72	-66.18
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC3=CN=CN=C3)=C2C=C1	REAL300008312452	0	33	-1.0	-46.41	310.85	4.33	-42.08
O=C([O-])C1CCCCN1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312453	0	35	-1.0	-50.10	291.31	3.16	-46.94
O=C([O-])C1=C(S(=O)(=O)NCC2=CN=CN=C2)C=C(Cl)S1	REAL300008312454	0	27	-1.0	-41.85	284.45	3.50	-38.35
CC1=CC(S(=O)(=O)NCC2=CN=CN=C2)=CN=C1C(=O)[O-]	REAL300008312455	0	32	-1.0	-53.78	296.67	1.85	-51.93
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CN=CN=C1	REAL300008312456	0	33	-1.0	-57.72	296.80	4.25	-53.47
CCOC1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1C(=O)[O-]	REAL300008312457	0	37	-1.0	-61.44	333.43	4.06	-57.38
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3=CN=CN=C3)C=C2C1	REAL300008312458	0	37	-1.0	-50.99	329.72	4.99	-46.00
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC3=CN=CN=C3)C=C2C=C1	REAL300008312459	0	35	-1.0	-58.00	326.03	3.48	-54.52
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300008312460	0	45	0.0	-69.59	365.34	5.49	-64.10
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300008312461	0	45	0.0	-65.97	365.39	5.50	-60.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312462	0	48	0.0	-84.71	369.19	5.81	-78.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312463	0	49	0.0	-84.51	388.51	5.34	-79.17
CC1=CC=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)C=C1C(=O)[O-]	REAL300008312464	0	48	0.0	-76.53	381.43	6.03	-70.50
C[NH+](C)CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)CCO1	REAL300008312465	0	42	0.0	-81.52	350.92	5.23	-76.29
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300008312466	0	45	0.0	-65.97	365.39	5.50	-60.47
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300008312467	0	45	0.0	-69.59	365.34	5.49	-64.10
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCO1	REAL300008312468	0	45	0.0	-90.17	351.78	6.41	-83.76
C[NH+](C)CCC1CN(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)CCO1	REAL300008312469	0	43	0.0	-73.90	353.91	3.24	-70.66
C[NH+](C)CCC1CN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CCO1	REAL300008312470	0	45	0.0	-76.76	369.23	3.63	-73.13
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)CCO1	REAL300008312471	0	42	0.0	-65.91	357.66	4.62	-61.29
C[NH+](C)CCC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCO1	REAL300008312472	0	42	0.0	-80.90	342.74	2.44	-78.46
C[NH+](C)CCC1CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CCO1	REAL300008312473	0	50	0.0	-74.83	382.96	4.70	-70.13
C[NH+](C)CCC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	REAL300008312474	0	50	0.0	-67.87	383.66	4.70	-63.17
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCO1	REAL300008312475	0	45	0.0	-90.17	351.78	6.41	-83.76
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])CCO1	REAL300008312476	0	45	0.0	-81.08	368.14	6.96	-74.12
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCO1	REAL300008312477	0	42	0.0	-65.11	350.13	3.86	-61.25
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)O1	REAL300008312478	0	45	0.0	-71.27	369.99	4.39	-66.88
C[NH+](C)CCC1CN(S(=O)(=O)CCCC(=O)[O-])CCO1	REAL300008312479	0	44	0.0	-76.17	351.42	4.11	-72.06
C[NH+](C)CCC1CN(S(=O)(=O)N2CCCC2C(=O)[O-])CCO1	REAL300008312480	0	47	0.0	-77.76	365.50	4.51	-73.25
C[NH+](C)CCC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300008312481	0	48	0.0	-85.86	389.18	6.22	-79.64
C[NH+](C)CCC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	REAL300008312482	0	50	0.0	-67.87	383.66	4.70	-63.17
C[NH+](C)CCC1CN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300008312483	0	48	0.0	-81.69	389.21	6.21	-75.48
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCO1	REAL300008312484	0	42	0.0	-65.11	350.13	3.86	-61.25
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCO1	REAL300008312485	0	49	0.0	-70.73	396.43	5.76	-64.97
C[NH+](C)CCC1CN(S(=O)(=O)CCCC(=O)[O-])CCO1	REAL300008312486	0	44	0.0	-76.17	351.42	4.11	-72.06
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCO1	REAL300008312487	0	42	0.0	-72.71	358.58	4.53	-68.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)=C1C	REAL300008312488	0	51	0.0	-74.22	386.32	6.34	-67.88
CC1=CC=CC(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)=C1C(=O)[O-]	REAL300008312489	0	48	0.0	-95.24	377.77	6.38	-88.86
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)=C1	REAL300008312490	0	52	0.0	-80.12	419.78	5.23	-74.89
C[NH+](C)CCC1CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)CCO1	REAL300008312491	0	42	0.0	-74.57	357.04	4.54	-70.03
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312492	0	48	0.0	-69.05	364.00	5.66	-63.39
C[NH+](C)CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)CCO1	REAL300008312493	0	48	0.0	-59.30	390.56	7.77	-51.53
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CCO1	REAL300008312494	0	48	0.0	-73.76	386.87	6.31	-67.45
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)CCO1	REAL300008312495	0	42	0.0	-66.14	350.36	3.59	-62.55
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300008312496	0	48	0.0	-56.05	387.57	6.28	-49.77
CC1=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)C=C(C(=O)[O-])O1	REAL300008312497	0	45	0.0	-80.26	358.53	4.29	-75.97
C[NH+](C)CCC1CN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CCO1	REAL300008312498	0	44	0.0	-61.67	360.55	3.69	-57.98
C[NH+](C)CCC1CN(S(=O)(=O)C2=CSN=C2C(=O)[O-])CCO1	REAL300008312499	0	41	0.0	-86.86	345.53	3.70	-83.16
C[NH+](C)CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)CCO1	REAL300008312500	0	41	0.0	-88.18	347.06	3.29	-84.89
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])CCO1	REAL300008312501	0	44	0.0	-96.36	348.69	4.62	-91.74
C[NH+](C)CCC1CN(S(=O)(=O)CCCCCC(=O)[O-])CCO1	REAL300008312502	0	50	0.0	-79.15	394.43	5.67	-73.48
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300008312503	0	44	0.0	-72.75	361.22	3.70	-69.05
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CCO1	REAL300008312504	0	45	0.0	-72.96	381.44	6.03	-66.93
COC1=CC=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)C=C1C(=O)[O-]	REAL300008312505	0	49	0.0	-70.85	392.68	5.56	-65.29
CC1=CC(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)=CC=C1C(=O)[O-]	REAL300008312506	0	48	0.0	-73.75	380.72	6.07	-67.68
CN(CCC(=O)[O-])S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312507	0	46	0.0	-73.14	364.72	3.71	-69.43
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)CCO1	REAL300008312508	0	50	0.0	-81.39	392.83	5.94	-75.45
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)=C1	REAL300008312509	0	52	0.0	-80.12	419.78	5.23	-74.89
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CCO1	REAL300008312510	0	45	0.0	-72.96	381.44	6.03	-66.93
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312511	0	45	0.0	-74.14	358.40	5.68	-68.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312512	0	48	0.0	-72.37	384.99	6.28	-66.09
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCOC(CC[NH+](C)C)C3)C=C21	REAL300008312513	0	51	0.0	-78.27	411.62	6.85	-71.42
C[NH+](C)CCC1CN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300008312514	0	48	0.0	-85.86	389.18	6.22	-79.64
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312515	0	49	0.0	-84.51	388.51	5.34	-79.17
CC1=CC=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)C=C1C(=O)[O-]	REAL300008312516	0	48	0.0	-76.53	381.43	6.03	-70.50
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312517	0	48	0.0	-84.71	369.19	5.81	-78.90
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312518	0	49	0.0	-67.55	393.40	5.62	-61.93
C[NH+](C)CCC1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1	REAL300008312519	0	48	0.0	-74.97	376.57	5.34	-69.63
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300008312520	0	48	0.0	-56.05	387.57	6.28	-49.77
COC1=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)SC(C(=O)[O-])=C1	REAL300008312521	0	46	0.0	-64.95	385.95	4.68	-60.27
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)CCO1	REAL300008312522	0	50	0.0	-73.22	401.50	6.17	-67.05
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)CCO1	REAL300008312523	0	52	0.0	-79.77	410.82	7.40	-72.37
CCC1=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)C=C(C(=O)[O-])O1	REAL300008312524	0	48	0.0	-70.73	381.72	5.05	-65.68
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CCO1	REAL300008312525	0	47	0.0	-82.48	385.34	7.34	-75.14
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)CCO1	REAL300008312526	0	48	0.0	-74.06	402.55	7.01	-67.05
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])CCO1	REAL300008312527	0	47	0.0	-72.83	379.60	7.11	-65.72
CC1=NC=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)C=C1C(=O)[O-]	REAL300008312528	0	47	0.0	-69.15	376.80	4.20	-64.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312529	0	49	0.0	-73.09	389.39	5.33	-67.76
COC1=CC(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)=CC=C1C(=O)[O-]	REAL300008312530	0	49	0.0	-80.14	391.98	5.60	-74.54
COC1=CC=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)C(CC(=O)[O-])=C1	REAL300008312531	0	52	0.0	-86.37	408.66	6.06	-80.31
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)CCO1	REAL300008312532	0	48	0.0	-75.36	392.30	6.34	-69.02
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)CCO1	REAL300008312533	0	54	0.0	-76.68	419.63	7.21	-69.47
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312534	0	45	0.0	-74.26	353.09	3.68	-70.58
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CCO1	REAL300008312535	0	51	0.0	-77.91	396.45	7.70	-70.21
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)=C1	REAL300008312536	0	45	0.0	-65.81	368.11	4.46	-61.35
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)CCO1	REAL300008312537	0	45	0.0	-69.83	377.22	5.92	-63.91
C[NH+](C)CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)CCO1	REAL300008312538	0	42	0.0	-85.45	346.74	3.93	-81.52
C[NH+](C)CCC1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCO1	REAL300008312539	0	45	0.0	-57.59	339.07	4.24	-53.35
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)=C1	REAL300008312540	0	49	0.0	-85.59	380.79	5.78	-79.81
C[NH+](C)CCC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCO1	REAL300008312541	0	42	0.0	-80.90	342.74	2.44	-78.46
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312542	0	45	0.0	-74.26	353.09	3.68	-70.58
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300008312543	0	47	-1.0	-136.27	392.25	6.46	-129.81
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312544	0	52	0.0	-58.33	407.78	5.51	-52.82
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CCO1	REAL300008312545	0	44	0.0	-72.97	361.65	3.59	-69.38
C[NH+](C)CCC1CN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CCO1	REAL300008312546	0	48	0.0	-68.33	379.16	6.61	-61.72
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300008312547	0	42	0.0	-66.94	365.03	4.14	-62.80
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)CCO1	REAL300008312548	0	51	0.0	-71.41	395.95	7.71	-63.70
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312549	0	52	0.0	-84.62	404.97	6.08	-78.54
COC1=CC=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)C(C(=O)[O-])=C1	REAL300008312550	0	49	0.0	-89.26	386.53	5.97	-83.29
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CCO1	REAL300008312551	0	44	0.0	-81.45	360.77	3.74	-77.71
C[NH+](C)CCC1CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCO1	REAL300008312552	0	42	0.0	-64.33	348.86	1.75	-62.58
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC(CC[NH+](C)C)C1	REAL300008312553	0	45	0.0	-78.71	365.87	3.28	-75.43
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)CCO1	REAL300008312554	0	51	0.0	-75.55	411.29	7.76	-67.79
C[NH+](C)CCC1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1	REAL300008312555	0	45	0.0	-77.55	354.73	4.66	-72.89
C[NH+](C)CCC1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300008312556	0	48	0.0	-79.60	369.08	5.07	-74.53
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)S1	REAL300008312557	0	45	0.0	-70.23	375.96	5.23	-65.00
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])CCO1	REAL300008312558	0	51	0.0	-95.60	397.08	8.75	-86.85
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCO1	REAL300008312559	0	48	0.0	-88.30	373.05	6.79	-81.51
C[NH+](C)CCC1CN(S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)CCO1	REAL300008312560	0	48	0.0	-92.06	391.71	4.14	-87.92
C[NH+](C)CCC1CN(S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)CCO1	REAL300008312561	0	48	0.0	-70.03	393.46	6.72	-63.31
C[NH+](C)CCC1CN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CCO1	REAL300008312562	0	45	0.0	-80.48	362.07	4.82	-75.66
C[NH+](C)CCC1CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCO1	REAL300008312563	0	50	0.0	-59.81	370.55	5.32	-54.49
C[NH+](C)CCC1CN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCO1	REAL300008312564	0	42	0.0	-64.33	348.86	1.75	-62.58
C[NH+](C)CCC1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1	REAL300008312565	0	47	0.0	-86.17	367.22	4.32	-81.85
C[NH+](C)CCC1CN(S(=O)(=O)C2=NNC=C2C(=O)[O-])CCO1	REAL300008312566	0	42	0.0	-80.90	342.74	2.44	-78.46
C[NH+](C)CCC1CN(S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)CCO1	REAL300008312567	0	42	0.0	-77.74	363.73	5.68	-72.06
C[NH+](C)CCC1CN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	REAL300008312568	0	45	0.0	-76.85	345.07	5.24	-71.61
CC1=CC(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)=CN=C1C(=O)[O-]	REAL300008312569	0	47	0.0	-70.23	377.78	4.25	-65.98
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCO1	REAL300008312570	0	48	0.0	-88.30	373.05	6.79	-81.51
CCOC1=CC=C(S(=O)(=O)N2CCOC(CC[NH+](C)C)C2)C=C1C(=O)[O-]	REAL300008312571	0	52	0.0	-71.17	414.53	6.48	-64.69
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CCO1	REAL300008312572	0	52	0.0	-72.08	408.78	7.37	-64.71
C[NH+](C)CCC1CN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])CCO1	REAL300008312573	0	44	0.0	-78.30	352.63	4.83	-73.47
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)CCO1	REAL300008312574	0	50	0.0	-79.76	407.11	5.89	-73.87
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)(C3)C2	REAL300008312575	0	52	-1.0	-47.57	394.34	8.18	-39.39
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)(C3)C2	REAL300008312576	0	52	-1.0	-51.93	394.36	8.18	-43.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2	REAL300008312577	0	55	-1.0	-54.14	408.99	9.08	-45.06
CC1=CC=C(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)C=C1C(=O)[O-]	REAL300008312578	0	55	-1.0	-51.52	410.38	8.70	-42.82
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1)(C3)C2	REAL300008312579	0	49	-1.0	-47.26	377.51	7.96	-39.30
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)(C3)C2	REAL300008312580	0	52	-1.0	-51.93	394.36	8.18	-43.75
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)(C3)C2	REAL300008312581	0	52	-1.0	-47.57	394.34	8.18	-39.39
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])(C3)C2	REAL300008312582	0	52	-1.0	-50.92	383.69	9.04	-41.88
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1)(C3)C2	REAL300008312583	0	50	-1.0	-50.14	382.87	5.90	-44.24
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)(C3)C2	REAL300008312584	0	52	-1.0	-48.62	398.90	6.29	-42.33
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1)(C3)C2	REAL300008312585	0	49	-1.0	-46.14	386.60	7.31	-38.83
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])(C3)C2	REAL300008312586	0	49	-1.0	-51.53	370.47	5.22	-46.31
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)N1CCCC(C(=O)[O-])C1)(C3)C2	REAL300008312587	0	57	-1.0	-47.34	410.48	7.22	-40.12
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)(C3)C2	REAL300008312588	0	57	-1.0	-46.22	410.97	7.26	-38.96
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-])(C3)C2	REAL300008312589	0	52	-1.0	-50.92	383.69	9.04	-41.88
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)(C3)C2	REAL300008312590	0	49	-1.0	-48.10	379.10	6.53	-41.57
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)O1	REAL300008312591	0	52	-1.0	-48.43	397.34	7.01	-41.42
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)CCCC(=O)[O-])(C3)C2	REAL300008312592	0	51	-1.0	-50.85	380.38	6.81	-44.04
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)N1CCCC1C(=O)[O-])(C3)C2	REAL300008312593	0	54	-1.0	-58.34	396.16	7.02	-51.32
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)(C3)C2	REAL300008312594	0	55	-1.0	-56.84	418.14	8.91	-47.93
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)(C3)C2	REAL300008312595	0	57	-1.0	-46.22	410.97	7.26	-38.96
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)(C3)C2	REAL300008312596	0	55	-1.0	-58.41	418.14	8.89	-49.52
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1)(C3)C2	REAL300008312597	0	49	-1.0	-48.10	379.10	6.53	-41.57
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)CCCC(=O)[O-])(C3)C2	REAL300008312598	0	51	-1.0	-50.85	380.38	6.81	-44.04
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1)(C3)C2	REAL300008312599	0	49	-1.0	-48.46	387.56	7.20	-41.26
CC1=CC=CC(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)=C1C(=O)[O-]	REAL300008312600	0	55	-1.0	-55.27	411.65	9.28	-45.99
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1)(C3)C2	REAL300008312601	0	49	-1.0	-50.20	386.02	7.19	-43.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2	REAL300008312602	0	55	-1.0	-47.98	403.54	8.93	-39.05
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)(C3)C2	REAL300008312603	0	55	-1.0	-47.74	416.52	8.95	-38.79
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CO1)(C3)C2	REAL300008312604	0	49	-1.0	-47.91	379.36	6.29	-41.62
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)(C3)C2	REAL300008312605	0	55	-1.0	-50.70	416.52	8.94	-41.76
CC1=C(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)C=C(C(=O)[O-])O1	REAL300008312606	0	52	-1.0	-51.53	399.09	7.28	-44.25
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)(C3)C2	REAL300008312607	0	51	-1.0	-45.89	389.52	6.37	-39.52
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CSN=C1C(=O)[O-])(C3)C2	REAL300008312608	0	48	-1.0	-51.36	371.80	6.45	-44.91
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1)(C3)C2	REAL300008312609	0	48	-1.0	-54.75	375.92	5.90	-48.85
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-])(C3)C2	REAL300008312610	0	51	-1.0	-53.87	380.30	7.29	-46.58
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)CCCCCC(=O)[O-])(C3)C2	REAL300008312611	0	57	-1.0	-52.07	423.38	8.37	-43.70
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)(C3)C2	REAL300008312612	0	51	-1.0	-49.48	390.22	6.38	-43.10
CC1=CC(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)=CC=C1C(=O)[O-]	REAL300008312613	0	55	-1.0	-46.94	410.35	8.71	-38.23
CN(CCC(=O)[O-])S(=O)(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2	REAL300008312614	0	53	-1.0	-48.01	393.49	6.39	-41.62
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2	REAL300008312615	0	52	-1.0	-49.89	394.87	8.79	-41.10
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)(C3)C2	REAL300008312616	0	55	-1.0	-56.84	418.14	8.91	-47.93
CC1=CC=C(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)C=C1C(=O)[O-]	REAL300008312617	0	55	-1.0	-51.52	410.38	8.70	-42.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2	REAL300008312618	0	55	-1.0	-54.14	408.99	9.08	-45.06
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)CC1(CC(=O)[O-])CC1)(C3)C2	REAL300008312619	0	55	-1.0	-47.51	404.70	8.06	-39.45
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)(C3)C2	REAL300008312620	0	55	-1.0	-50.70	416.52	8.94	-41.76
CCC1=C(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)C=C(C(=O)[O-])O1	REAL300008312621	0	55	-1.0	-51.16	418.71	8.09	-43.07
CC1=NC=C(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)C=C1C(=O)[O-]	REAL300008312622	0	54	-1.0	-45.06	405.82	6.89	-38.17
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2	REAL300008312623	0	52	-1.0	-50.83	386.22	6.50	-44.33
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)=C1	REAL300008312624	0	52	-1.0	-49.09	397.07	7.12	-41.97
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=C(C(=O)[O-])C=CO1)(C3)C2	REAL300008312625	0	49	-1.0	-52.70	371.57	7.03	-45.67
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1(C(=O)[O-])CCC1)(C3)C2	REAL300008312626	0	52	-1.0	-44.46	379.04	7.41	-37.05
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])(C3)C2	REAL300008312627	0	49	-1.0	-51.53	370.47	5.22	-46.31
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2	REAL300008312628	0	52	-1.0	-50.83	386.22	6.50	-44.33
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)(C3)C2	REAL300008312629	0	51	-1.0	-46.29	390.57	6.30	-39.99
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])(C3)C2	REAL300008312630	0	55	-1.0	-55.66	408.11	9.33	-46.33
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)(C3)C2	REAL300008312631	0	51	-1.0	-53.31	390.42	6.40	-46.91
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)(C3)C2	REAL300008312632	0	49	-1.0	-42.67	377.84	4.42	-38.25
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2	REAL300008312633	0	52	-1.0	-53.25	395.86	5.92	-47.33
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)(C3)C2	REAL300008312634	0	52	-1.0	-52.43	384.46	7.31	-45.12
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)(C3)C2	REAL300008312635	0	55	-1.0	-53.92	401.25	7.86	-46.06
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)S1	REAL300008312636	0	52	-1.0	-48.43	404.42	7.86	-40.57
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])(C3)C2	REAL300008312637	0	55	-1.0	-56.44	406.77	9.36	-47.08
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])(C3)C2	REAL300008312638	0	52	-1.0	-53.23	391.00	7.51	-45.72
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)N1CCCCC1C(=O)[O-])(C3)C2	REAL300008312639	0	57	-1.0	-48.10	404.57	8.30	-39.80
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1)(C3)C2	REAL300008312640	0	49	-1.0	-42.67	377.84	4.42	-38.25
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])(C3)C2	REAL300008312641	0	54	-1.0	-57.62	394.13	7.33	-50.29
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=NNC=C1C(=O)[O-])(C3)C2	REAL300008312642	0	49	-1.0	-51.53	370.47	5.22	-46.31
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])(C3)C2	REAL300008312643	0	52	-1.0	-57.32	374.62	7.91	-49.41
CC1=CC(S(=O)(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)=CN=C1C(=O)[O-]	REAL300008312644	0	54	-1.0	-50.01	406.75	6.94	-43.07
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])(C3)C2	REAL300008312645	0	55	-1.0	-56.44	406.77	9.36	-47.08
CC12CC3CC(C)(C1)CC(CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-])(C3)C2	REAL300008312646	0	51	-1.0	-44.88	379.24	7.26	-37.62
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008312647	0	45	-1.0	-50.29	380.95	6.83	-43.46
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008312648	0	45	-1.0	-53.67	378.47	6.69	-46.98
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C1=CC=CC=C1OC(C)C	REAL300008312649	0	48	-1.0	-58.58	393.94	7.67	-50.91
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C1=CC=CC=C1OC(C)C	REAL300008312650	0	49	-1.0	-58.46	408.97	6.58	-51.88
CC1=CC=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300008312651	0	48	-1.0	-56.44	394.99	7.28	-49.16
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008312652	0	42	-1.0	-48.03	363.99	6.57	-41.46
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008312653	0	45	-1.0	-53.67	378.47	6.69	-46.98
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008312654	0	45	-1.0	-50.29	380.95	6.83	-43.46
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008312655	0	45	-1.0	-52.33	368.44	7.62	-44.71
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008312656	0	43	-1.0	-51.85	367.30	4.45	-47.40
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008312657	0	45	-1.0	-51.43	383.01	4.85	-46.58
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008312658	0	42	-1.0	-50.48	370.38	5.87	-44.61
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008312659	0	42	-1.0	-54.42	355.76	3.76	-50.66
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008312660	0	50	-1.0	-50.58	391.72	5.70	-44.88
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008312661	0	50	-1.0	-51.22	397.59	5.93	-45.29
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008312662	0	45	-1.0	-52.33	368.44	7.62	-44.71
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008312663	0	45	-1.0	-46.02	385.11	8.16	-37.86
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008312664	0	42	-1.0	-53.21	363.66	5.14	-48.07
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)O1	REAL300008312665	0	45	-1.0	-51.39	383.92	5.64	-45.75
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)CCCC(=O)[O-]	REAL300008312666	0	44	-1.0	-51.89	367.02	5.42	-46.47
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008312667	0	47	-1.0	-47.45	375.98	5.46	-41.99
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008312668	0	48	-1.0	-56.61	401.80	7.44	-49.17
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008312669	0	50	-1.0	-51.22	397.59	5.93	-45.29
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008312670	0	48	-1.0	-59.98	401.98	7.44	-52.54
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008312671	0	42	-1.0	-53.21	363.66	5.14	-48.07
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008312672	0	49	-1.0	-49.19	409.10	7.00	-42.19
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)CCCC(=O)[O-]	REAL300008312673	0	44	-1.0	-51.89	367.02	5.42	-46.47
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008312674	0	42	-1.0	-50.79	374.21	5.85	-44.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)=C1C	REAL300008312675	0	51	-1.0	-62.16	412.12	8.22	-53.94
CC1=CC=CC(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)=C1C(=O)[O-]	REAL300008312676	0	48	-1.0	-55.73	395.71	7.82	-47.91
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008312677	0	42	-1.0	-54.73	372.62	5.86	-48.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](C)C1=CC=CC=C1OC(C)C	REAL300008312678	0	48	-1.0	-50.58	389.90	7.52	-43.06
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008312679	0	48	-1.0	-50.37	402.96	7.59	-42.78
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008312680	0	42	-1.0	-50.86	364.48	4.90	-45.96
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008312681	0	48	-1.0	-52.63	400.64	7.47	-45.16
CC1=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300008312682	0	45	-1.0	-57.24	384.74	5.87	-51.37
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008312683	0	44	-1.0	-50.42	373.21	4.92	-45.50
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008312684	0	41	-1.0	-51.32	358.22	5.03	-46.29
CC(C)OC1=CC=CC=C1[C@H](C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008312684	1	40	-2.0	-130.41	353.05	4.87	-125.54
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008312685	0	41	-1.0	-56.48	361.96	4.43	-52.05
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008312686	0	44	-1.0	-54.54	365.61	5.82	-48.72
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)CCCCCC(=O)[O-]	REAL300008312687	0	50	-1.0	-52.56	410.02	6.98	-45.58
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008312688	0	44	-1.0	-53.14	373.56	4.90	-48.24
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008312689	0	45	-1.0	-50.62	394.42	7.23	-43.39
COC1=CC=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300008312690	0	49	-1.0	-59.38	405.29	6.79	-52.59
CC1=CC(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300008312691	0	48	-1.0	-49.88	394.26	7.31	-42.57
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-]	REAL300008312692	0	46	-1.0	-49.59	361.35	4.64	-44.95
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008312693	0	45	-1.0	-50.62	394.42	7.23	-43.39
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@@H](C)C1=CC=CC=C1OC(C)C	REAL300008312694	0	45	-1.0	-56.39	375.64	7.06	-49.33
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008312695	0	48	-1.0	-56.61	401.80	7.44	-49.17
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C1=CC=CC=C1OC(C)C	REAL300008312696	0	49	-1.0	-58.46	408.97	6.58	-51.88
CC1=CC=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300008312697	0	48	-1.0	-56.44	394.99	7.28	-49.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C1=CC=CC=C1OC(C)C	REAL300008312698	0	48	-1.0	-58.58	393.94	7.67	-50.91
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008312699	0	48	-1.0	-49.68	389.08	6.65	-43.03
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008312700	0	48	-1.0	-52.63	400.64	7.47	-45.16
COC1=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)SC(C(=O)[O-])=C1	REAL300008312701	0	46	-1.0	-50.13	399.10	5.08	-45.05
CCC1=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300008312702	0	48	-1.0	-56.63	405.78	6.74	-49.89
CC1=NC=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300008312703	0	47	-1.0	-50.22	390.62	5.46	-44.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H](C)C1=CC=CC=C1OC(C)C	REAL300008312704	0	49	-1.0	-51.04	409.18	6.65	-44.39
COC1=CC(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300008312705	0	49	-1.0	-55.71	404.89	6.79	-48.92
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008312706	0	48	-1.0	-51.60	405.29	7.55	-44.05
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008312707	0	45	-1.0	-56.87	370.37	5.08	-51.79
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)=C1	REAL300008312708	0	45	-1.0	-55.79	383.74	5.79	-50.00
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008312709	0	45	-1.0	-54.45	390.51	7.11	-47.34
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008312710	0	42	-1.0	-55.41	357.06	5.61	-49.80
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008312711	0	45	-1.0	-46.45	360.50	5.87	-40.58
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)=C1	REAL300008312712	0	49	-1.0	-51.02	397.82	6.93	-44.09
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008312713	0	42	-1.0	-54.42	355.76	3.76	-50.66
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008312714	0	45	-1.0	-56.87	370.37	5.08	-51.79
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008312715	0	44	-1.0	-50.43	372.98	5.12	-45.31
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008312716	0	48	-1.0	-60.05	390.25	7.84	-52.21
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008312717	0	42	-1.0	-48.07	380.59	5.46	-42.61
COC1=CC=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)C(C(=O)[O-])=C1	REAL300008312718	0	49	-1.0	-51.86	397.01	6.86	-45.00
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008312719	0	44	-1.0	-55.42	374.16	4.94	-50.48
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008312720	0	42	-1.0	-46.19	362.40	3.01	-43.18
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008312721	0	45	-1.0	-58.08	382.45	4.56	-53.52
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008312722	0	45	-1.0	-52.91	367.88	5.86	-47.05
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008312723	0	48	-1.0	-53.82	384.16	6.46	-47.36
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)S1	REAL300008312724	0	45	-1.0	-51.04	390.17	6.49	-44.55
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008312725	0	48	-1.0	-58.10	391.32	7.96	-50.14
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008312726	0	45	-1.0	-54.52	374.26	6.07	-48.45
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008312727	0	50	-1.0	-51.88	386.39	6.82	-45.06
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008312728	0	42	-1.0	-46.19	362.40	3.01	-43.18
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008312729	0	47	-1.0	-48.58	378.79	5.36	-43.22
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008312730	0	42	-1.0	-54.42	355.76	3.76	-50.66
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008312731	0	45	-1.0	-57.42	357.52	6.47	-50.95
CC1=CC(S(=O)(=O)N[C@@H](C)C2=CC=CC=C2OC(C)C)=CN=C1C(=O)[O-]	REAL300008312732	0	47	-1.0	-52.18	390.52	5.48	-46.70
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008312733	0	48	-1.0	-58.10	391.32	7.96	-50.14
CC(C)OC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008312734	0	44	-1.0	-46.77	364.31	5.81	-40.96
O=C([O-])C1=CC(S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)=CN1	REAL300008312735	0	44	-1.0	-57.45	363.69	-0.91	-58.36
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312736	0	43	-1.0	-58.25	354.14	-1.49	-59.74
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)O1	REAL300008312737	0	43	-1.0	-58.12	362.64	-0.15	-58.27
O=C([O-])CCCS(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312738	0	45	-1.0	-59.72	359.93	-0.03	-59.75
O=C([O-])C1CCCN1S(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312739	0	48	-1.0	-66.19	375.81	0.42	-65.77
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)O1	REAL300008312740	0	43	-1.0	-58.12	362.64	-0.15	-58.27
O=C([O-])CCCS(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312741	0	45	-1.0	-59.72	359.93	-0.03	-59.75
O=C([O-])C1=COC(S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)=C1	REAL300008312742	0	43	-1.0	-57.27	363.02	-0.40	-57.67
O=C([O-])CCCCCS(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312743	0	51	-1.0	-61.95	405.42	1.63	-60.32
CN(CCC(=O)[O-])S(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312744	0	47	-1.0	-56.34	375.12	-0.40	-56.74
O=C([O-])CC1(CS(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)CC1	REAL300008312745	0	49	-1.0	-54.82	387.22	1.33	-53.49
O=C([O-])C1=C(S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)OC=C1	REAL300008312746	0	43	-1.0	-59.74	355.24	0.35	-59.39
O=C([O-])C1(S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)CCC1	REAL300008312747	0	46	-1.0	-49.68	358.99	0.56	-49.12
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312748	0	43	-1.0	-58.25	354.14	-1.49	-59.74
O=C([O-])C1=CC(S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)=NN1	REAL300008312749	0	43	-1.0	-52.01	361.14	-2.28	-54.29
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)C1	REAL300008312750	0	46	-1.0	-60.93	367.08	0.58	-60.35
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)C1	REAL300008312751	0	49	-1.0	-62.58	379.06	0.97	-61.61
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312752	0	46	-1.0	-62.23	373.70	0.78	-61.45
O=C([O-])C1=CC(S(=O)(=O)NC2CCOC3(CCS(=O)(=O)CC3)C2)=NN1	REAL300008312753	0	43	-1.0	-52.01	361.14	-2.28	-54.29
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312754	0	48	-1.0	-65.51	373.91	0.61	-64.90
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312755	0	43	-1.0	-58.25	354.14	-1.49	-59.74
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300008312756	0	46	-1.0	-65.22	356.62	1.16	-64.06
CCOCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300008312757	0	37	-1.0	-62.65	329.53	2.70	-59.95
CCOCC(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300008312758	0	44	-1.0	-56.68	367.70	4.91	-51.77
CCOCC(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300008312759	0	29	-1.0	-42.07	297.01	1.99	-40.08
CCOCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300008312760	0	39	-1.0	-61.80	340.03	2.81	-58.99
CCOCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300008312761	0	35	-1.0	-57.79	326.20	3.90	-53.89
CCOCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008312762	0	36	-1.0	-47.10	334.69	2.69	-44.41
CCOCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008312763	0	38	-1.0	-62.60	349.85	-0.18	-62.78
CCOCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008312764	0	36	-1.0	-43.81	335.96	2.18	-41.63
CCOCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300008312765	0	43	-1.0	-59.27	364.41	2.34	-56.93
CCOCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300008312766	0	35	-1.0	-54.59	321.72	3.76	-50.83
CCOCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300008312767	0	43	-1.0	-56.18	343.94	2.72	-53.46
CCOCC(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300008312768	0	38	-1.0	-58.13	323.69	1.26	-56.87
CCOCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008312769	0	48	-1.0	-56.50	391.05	6.11	-50.39
CCOCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008312770	0	38	-1.0	-59.25	333.51	1.47	-57.78
CCOCC(NS(=O)(=O)C1=CC=C(CC)C=C1)C(=O)[O-]	REAL300008312771	0	38	-1.0	-57.12	332.06	3.74	-53.38
CCOCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008312772	0	32	-1.0	-57.40	306.83	3.10	-54.30
CCOCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008312773	0	32	-1.0	-54.52	310.35	2.94	-51.58
CCOCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008312774	0	37	-1.0	-52.05	322.68	4.71	-47.34
CCOCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008312775	0	38	-1.0	-44.14	347.53	4.30	-39.84
CCOCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008312776	0	42	-1.0	-69.70	372.08	-1.15	-70.85
CCOCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300008312777	0	43	-1.0	-55.72	371.76	4.14	-51.58
CCOCC(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300008312778	0	35	-1.0	-45.41	315.87	3.09	-42.32
CCOCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008312779	0	38	-1.0	-56.73	335.96	2.87	-53.86
CCOCC(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300008312780	0	39	-1.0	-57.80	344.09	2.05	-55.75
CCOCC(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300008312781	0	38	-1.0	-53.38	338.24	-0.09	-53.47
CCOCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008312782	0	41	-1.0	-70.05	374.09	0.53	-69.52
CCOCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008312783	0	37	-1.0	-51.78	337.51	-1.62	-53.40
CCOCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300008312784	0	42	-1.0	-57.46	350.70	3.18	-54.28
CCOCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008312785	0	37	-1.0	-59.81	347.84	2.82	-56.99
CCOCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008312786	0	35	-1.0	-42.60	330.60	3.64	-38.96
CCOCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008312787	0	37	-1.0	-57.00	329.92	2.69	-54.31
CCOCC(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300008312788	0	41	-1.0	-44.39	333.96	0.29	-44.10
CCOCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300008312789	0	41	-1.0	-59.96	363.55	3.70	-56.26
CCOCC(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300008312790	0	41	-1.0	-54.49	346.10	2.15	-52.34
CCOCC(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300008312791	0	38	-1.0	-48.52	334.72	1.48	-47.04
CCOCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300008312792	0	41	-1.0	-65.74	354.93	3.58	-62.16
CCOCC(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300008312793	0	38	-1.0	-65.10	335.69	2.74	-62.36
CCOCC(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300008312794	0	38	-1.0	-65.71	334.19	0.78	-64.93
CCOCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008312795	0	44	-1.0	-59.56	340.97	4.75	-54.81
CCOCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008312796	0	40	-1.0	-56.50	356.43	1.80	-54.70
CCOCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300008312797	0	40	-1.0	-56.04	362.01	2.16	-53.88
CCOCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300008312798	0	35	-1.0	-57.06	328.50	3.50	-53.56
CCOCC(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300008312799	0	35	-1.0	-54.87	310.06	3.31	-51.56
CCOCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008312800	0	38	-1.0	-47.86	345.94	5.12	-42.74
CCOCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008312801	0	37	-1.0	-50.63	342.39	4.55	-46.08
CCOCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008312802	0	36	-1.0	-55.24	334.47	1.96	-53.28
CCOCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008312803	0	39	-1.0	-56.99	355.23	3.55	-53.44
CCOCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300008312804	0	47	-1.0	-57.79	379.63	3.26	-54.53
CCOCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008312805	0	35	-1.0	-56.27	321.21	3.19	-53.08
CCOCC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300008312806	0	43	-1.0	-62.87	373.69	1.86	-61.01
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1=CC=CC(Cl)=C1	REAL300008322001	0	38	-1.0	-44.28	363.21	6.90	-37.38
CC1=C(CCS(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC=N1	REAL300008322002	0	40	-1.0	-43.28	373.69	5.59	-37.69
COCC1(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300008322003	0	39	-1.0	-57.38	345.41	5.71	-51.67
O=C([O-])C[C@@H](NS(=O)(=O)CC12CCC(CC1)C2)C1=CC=CC(Cl)=C1	REAL300008322004	0	45	-1.0	-42.51	373.19	7.74	-34.77
O=C([O-])C[C@@H](NS(=O)(=O)CCC1CCOC1)C1=CC=CC(Cl)=C1	REAL300008322005	0	42	-1.0	-42.36	363.75	4.86	-37.50
O=C([O-])C[C@@H](NS(=O)(=O)CC1CCCCC1(F)F)C1=CC=CC(Cl)=C1	REAL300008322006	0	44	-1.0	-44.12	374.21	7.58	-36.54
O=C([O-])C[C@@H](NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300008322007	0	42	-1.0	-43.76	375.41	8.47	-35.29
CN1C=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300008322008	0	35	-1.0	-49.46	332.08	3.95	-45.51
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC=CC(Cl)=C1	REAL300008322009	0	35	-1.0	-40.45	342.76	6.88	-33.57
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=CC=CC(Cl)=C1	REAL300008322010	0	37	-1.0	-40.22	354.25	7.03	-33.19
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C1=CC=CC(Cl)=C1	REAL300008322011	0	41	-1.0	-45.90	371.83	8.61	-37.29
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC=CC(Cl)=C1	REAL300008322012	0	37	-1.0	-41.62	354.26	7.03	-34.59
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300008322013	0	40	-1.0	-59.00	364.50	8.54	-50.46
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300008322014	0	39	-1.0	-43.79	354.32	5.69	-38.10
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=CC=CC(Cl)=C1	REAL300008322015	0	37	-1.0	-51.32	334.63	8.03	-43.29
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300008322016	0	38	-1.0	-43.40	346.24	7.07	-36.33
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300008322017	0	42	-1.0	-43.44	377.37	6.58	-36.86
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300008322018	0	47	-1.0	-43.21	386.70	8.99	-34.22
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300008322019	0	44	-1.0	-42.95	369.15	8.52	-34.43
CC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300008322020	0	38	-1.0	-43.52	347.43	7.03	-36.49
O=C([O-])C[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300008322021	0	39	-1.0	-45.17	359.48	7.70	-37.47
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300008322022	0	35	-1.0	-42.23	342.75	6.87	-35.36
CC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300008322023	0	40	-1.0	-46.00	367.56	6.89	-39.11
CC1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300008322024	0	41	-1.0	-55.70	357.86	8.53	-47.17
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300008322025	0	41	-1.0	-44.79	364.39	7.55	-37.24
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CCCCC(C)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008322558	0	37	-1.0	-43.57	319.91	6.40	-37.17
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CCCCC(C)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008322562	0	44	-1.0	-53.53	372.66	4.82	-48.71
CCCCC(C)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008322563	0	40	-1.0	-42.07	341.89	6.88	-35.19
CCCCC(C)NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008322564	0	40	-1.0	-53.05	346.33	7.48	-45.57
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300008322565	0	42	-1.0	-43.16	355.85	6.14	-37.02
CCCCC(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008322566	0	37	-1.0	-48.14	334.33	5.61	-42.53
CCCCC(C)NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300008322567	0	37	-1.0	-48.12	338.89	5.71	-42.41
CCCCC(C)NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300008322568	0	41	-1.0	-58.10	344.87	5.18	-52.92
CCCCC(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008322569	0	42	-1.0	-51.95	352.25	5.58	-46.37
CCCCC(C)NS(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008322570	0	44	-1.0	-53.53	372.66	4.82	-48.71
CCCCC(C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008322571	0	37	-1.0	-48.14	334.33	5.61	-42.53
CCCCC(C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008322572	0	37	-1.0	-50.60	315.01	5.52	-45.08
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300008322573	0	40	-1.0	-50.05	345.06	6.37	-43.68
CCCCC(C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300008322574	0	43	-1.0	-51.35	364.52	6.45	-44.90
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008322575	0	41	-1.0	-54.58	344.92	4.87	-49.71
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300008322576	0	41	-1.0	-45.60	350.21	5.07	-40.53
CCCCC(C)NS(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300008322577	0	38	-1.0	-49.61	328.04	2.96	-46.65
CCCCC(C)NS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300008322578	0	40	-1.0	-47.78	355.45	6.26	-41.52
CCCCC(C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008322579	0	42	-1.0	-48.58	352.40	5.71	-42.87
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008322580	0	40	-1.0	-47.73	347.71	5.92	-41.81
CCCCC(C)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008322581	0	44	-1.0	-49.63	359.56	6.86	-42.77
CCCCC(C)NS(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300008322582	0	40	-1.0	-52.61	341.52	5.00	-47.61
CCCCC(C)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008322583	0	39	-1.0	-44.11	331.64	6.55	-37.56
CCCCC(C)NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008322584	0	40	-1.0	-50.50	355.39	6.60	-43.90
CCCCC(C)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008322585	0	39	-1.0	-38.99	331.47	6.55	-32.44
CCCCC(C)NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008322586	0	39	-1.0	-45.81	327.04	3.75	-42.06
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300008322587	0	41	-1.0	-48.71	345.60	4.99	-43.72
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300008322588	0	41	-1.0	-54.24	344.86	5.19	-49.05
CCCCC(C)NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300008322589	0	44	-1.0	-57.97	356.22	5.54	-52.43
CCCCC(C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008322590	0	40	-1.0	-50.51	345.23	5.94	-44.57
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008322591	0	40	-1.0	-45.96	356.27	6.10	-39.86
CCCCC(C)NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008322592	0	46	-1.0	-50.27	372.50	6.79	-43.48
CCCCC(C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008322593	0	43	-1.0	-50.24	352.91	7.25	-42.99
CCCCC(C)NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300008322594	0	37	-1.0	-43.58	324.47	6.50	-37.08
CCCCC(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008322595	0	37	-1.0	-50.44	330.10	5.50	-44.94
CCCCC(C)NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300008322596	0	41	-1.0	-48.30	332.56	5.19	-43.11
CCCCC(C)NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300008322597	0	49	-1.0	-49.85	390.67	6.13	-43.72
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008322598	0	39	-2.0	-137.29	344.45	6.07	-131.22
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300008322599	0	44	-1.0	-53.52	361.49	5.13	-48.39
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008322600	0	34	-1.0	-45.84	316.25	3.76	-42.08
CCCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008322600	1	33	-2.0	-94.01	312.01	3.61	-90.40
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008322601	0	43	-1.0	-50.53	352.67	7.30	-43.23
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OCC	REAL300008322602	0	44	-1.0	-54.19	366.78	5.79	-48.40
CCCCC(C)NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300008322603	0	41	-1.0	-50.87	332.87	5.19	-45.68
CCCCC(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008322604	0	43	-1.0	-51.76	363.45	7.37	-44.39
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008322605	0	37	-1.0	-50.44	329.48	4.87	-45.57
CCCCC(C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008322606	0	43	-1.0	-52.67	348.73	8.14	-44.53
CCCCC(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008322607	0	40	-1.0	-45.69	337.50	6.48	-39.21
CCCCC(C)NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008322608	0	37	-1.0	-48.41	347.87	5.73	-42.68
CCCCC(C)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008322609	0	40	-1.0	-66.24	345.17	3.79	-62.45
CCCCC(C)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008322610	0	40	-1.0	-44.81	343.03	6.34	-38.47
CCCCC(C)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008322611	0	34	-1.0	-41.41	316.76	5.47	-35.94
CCCCC(C)NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008322612	0	39	-1.0	-51.77	330.27	3.85	-47.92
CCCCC(C)NS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300008322613	0	44	-1.0	-59.71	366.73	6.09	-53.62
CCCCC(C)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008322614	0	44	-1.0	-49.79	363.06	7.00	-42.79
CCCCC(C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008322615	0	42	-1.0	-54.57	357.33	5.41	-49.16
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C=C1	REAL300008322616	0	46	-1.0	-50.58	378.64	6.09	-44.49
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300008322617	0	46	-1.0	-55.89	378.66	6.08	-49.81
O=C([O-])C1=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C=CS1	REAL300008322618	0	43	-1.0	-46.60	362.28	5.87	-40.73
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300008322619	0	46	-1.0	-55.89	378.66	6.08	-49.81
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C=C1	REAL300008322620	0	46	-1.0	-50.58	378.64	6.09	-44.49
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322621	0	46	-1.0	-51.50	368.18	6.94	-44.56
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=CN1	REAL300008322622	0	44	-1.0	-53.66	367.18	3.79	-49.87
O=C([O-])CN1C=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C=N1	REAL300008322623	0	46	-1.0	-52.92	383.24	4.21	-48.71
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)S1	REAL300008322624	0	43	-1.0	-48.37	370.92	5.21	-43.16
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322625	0	43	-1.0	-57.91	353.89	3.10	-54.81
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322626	0	46	-1.0	-51.50	368.18	6.94	-44.56
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)O1	REAL300008322627	0	43	-1.0	-49.29	363.40	4.44	-44.85
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)O1	REAL300008322628	0	46	-1.0	-51.46	381.79	4.94	-46.52
O=C([O-])CCCS(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322629	0	45	-1.0	-53.76	364.68	4.71	-49.05
O=C([O-])C1CCCN1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322630	0	48	-1.0	-57.44	378.46	5.24	-52.20
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)O1	REAL300008322631	0	43	-1.0	-49.29	363.40	4.44	-44.85
O=C([O-])CCCS(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322632	0	45	-1.0	-53.76	364.68	4.71	-49.05
O=C([O-])C1=CSC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300008322633	0	43	-1.0	-51.91	371.85	5.10	-46.81
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=CS1	REAL300008322634	0	43	-1.0	-50.83	370.30	5.11	-45.72
O=C([O-])C1=COC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300008322635	0	43	-1.0	-50.77	363.66	4.19	-46.58
CC1=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C=C(C(=O)[O-])O1	REAL300008322636	0	46	-1.0	-56.70	382.82	5.22	-51.48
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300008322637	0	45	-1.0	-46.78	373.85	4.28	-42.50
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322638	0	45	-1.0	-55.32	365.21	5.16	-50.16
O=C([O-])CCCCCS(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322639	0	51	-1.0	-55.45	407.67	6.27	-49.18
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C=N1	REAL300008322640	0	45	-1.0	-52.23	374.53	4.29	-47.94
CN(CCC(=O)[O-])S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322641	0	47	-1.0	-50.85	378.11	4.31	-46.54
O=C([O-])CC1(CS(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)CC1	REAL300008322642	0	49	-1.0	-49.75	389.20	5.99	-43.76
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322643	0	46	-1.0	-55.23	370.72	4.43	-50.80
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300008322644	0	46	-1.0	-53.48	381.52	5.07	-48.41
O=C([O-])C1=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)OC=C1	REAL300008322645	0	43	-1.0	-60.06	355.29	4.85	-55.21
O=C([O-])C1(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)CCC1	REAL300008322646	0	46	-1.0	-45.86	363.07	5.31	-40.55
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322647	0	43	-1.0	-57.91	353.89	3.10	-54.81
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322648	0	46	-1.0	-55.23	370.72	4.43	-50.80
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300008322649	0	45	-1.0	-51.31	372.15	4.42	-46.89
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=CC=N1	REAL300008322650	0	45	-1.0	-58.00	374.72	4.28	-53.72
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=NN1	REAL300008322651	0	43	-1.0	-44.43	362.12	2.32	-42.11
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322652	0	46	-1.0	-57.57	380.31	3.85	-53.72
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300008322653	0	46	-1.0	-53.04	366.66	5.11	-47.93
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300008322654	0	49	-1.0	-56.76	385.76	5.78	-50.98
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322655	0	46	-1.0	-55.43	375.31	5.41	-50.02
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)=NN1	REAL300008322656	0	43	-1.0	-44.43	362.12	2.32	-42.11
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322657	0	48	-1.0	-44.91	376.94	4.92	-39.99
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322658	0	43	-1.0	-57.91	353.89	3.10	-54.81
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322659	0	46	-1.0	-57.59	358.80	5.83	-51.76
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008322660	0	45	-1.0	-45.96	363.80	5.18	-40.78
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=C1	REAL300008322661	0	38	-1.0	-51.08	366.32	6.66	-44.42
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300008322662	0	38	-1.0	-55.24	366.36	6.65	-48.59
O=C([O-])C1=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=CS1	REAL300008322663	0	35	-1.0	-48.48	349.50	6.44	-42.04
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300008322664	0	38	-1.0	-55.24	366.36	6.65	-48.59
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=C1	REAL300008322665	0	38	-1.0	-51.08	366.32	6.66	-44.42
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322666	0	38	-1.0	-51.85	355.64	7.52	-44.33
O=C([O-])C1=CC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=CN1	REAL300008322667	0	36	-1.0	-53.44	354.86	4.37	-49.07
O=C([O-])CN1C=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=N1	REAL300008322668	0	38	-1.0	-54.15	370.93	4.79	-49.36
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)S1	REAL300008322669	0	35	-1.0	-49.29	358.60	5.78	-43.51
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322670	0	35	-1.0	-53.86	342.45	3.69	-50.17
O=C([O-])C1CCCN(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300008322671	0	43	-1.0	-50.76	381.76	5.68	-45.08
O=C([O-])C1CCN(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300008322672	0	43	-1.0	-48.70	382.96	5.75	-42.95
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322673	0	38	-1.0	-51.85	355.64	7.52	-44.33
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)O1	REAL300008322674	0	35	-1.0	-50.67	351.10	5.02	-45.65
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)O1	REAL300008322675	0	38	-1.0	-51.17	369.33	5.49	-45.68
O=C([O-])CCCS(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322676	0	37	-1.0	-56.48	352.36	5.29	-51.19
O=C([O-])C1CCCN1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322677	0	40	-1.0	-61.22	366.15	5.81	-55.41
O=C([O-])C1CCN(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300008322678	0	43	-1.0	-48.70	382.96	5.75	-42.95
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)O1	REAL300008322679	0	35	-1.0	-50.67	351.10	5.02	-45.65
O=C([O-])CCCS(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322680	0	37	-1.0	-56.48	352.36	5.29	-51.19
O=C([O-])C1=CSC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300008322681	0	35	-1.0	-51.60	359.52	5.68	-45.92
O=C([O-])C1=CC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=CS1	REAL300008322682	0	35	-1.0	-53.55	357.99	5.67	-47.88
O=C([O-])C1=COC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300008322683	0	35	-1.0	-50.94	351.35	4.76	-46.18
CC1=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=C(C(=O)[O-])O1	REAL300008322684	0	38	-1.0	-54.79	371.08	5.76	-49.03
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300008322685	0	37	-1.0	-49.13	361.52	4.85	-44.28
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322686	0	34	-1.0	-52.37	343.86	4.91	-47.46
O=C([O-])C1=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)SC=N1	REAL300008322687	0	34	-1.0	-64.60	341.49	4.19	-60.41
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322688	0	37	-1.0	-54.89	352.34	5.75	-49.14
O=C([O-])CCCCCS(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322689	0	43	-1.0	-58.03	395.36	6.85	-51.18
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=N1	REAL300008322690	0	37	-1.0	-52.87	362.22	4.86	-48.01
CN(CCC(=O)[O-])S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322691	0	39	-1.0	-51.15	365.64	4.88	-46.27
O=C([O-])CC1(CS(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300008322692	0	41	-1.0	-49.94	376.91	6.53	-43.41
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322693	0	38	-1.0	-52.21	358.24	4.98	-47.23
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300008322694	0	38	-1.0	-51.53	369.07	5.62	-45.91
O=C([O-])C1=C(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)OC=C1	REAL300008322695	0	35	-1.0	-55.03	343.56	5.50	-49.53
O=C([O-])C1(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)CCC1	REAL300008322696	0	38	-1.0	-46.84	348.00	5.69	-41.15
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322697	0	35	-1.0	-53.86	342.45	3.69	-50.17
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322698	0	38	-1.0	-52.21	358.24	4.98	-47.23
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300008322699	0	37	-1.0	-49.70	362.56	4.77	-44.93
O=C([O-])C1=CC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=CC=N1	REAL300008322700	0	37	-1.0	-56.27	362.41	4.87	-51.40
O=C([O-])C1=CC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=NN1	REAL300008322701	0	35	-1.0	-46.45	347.85	2.96	-43.49
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322702	0	38	-1.0	-55.63	367.85	4.40	-51.23
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300008322703	0	38	-1.0	-57.64	356.33	5.81	-51.83
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300008322704	0	41	-1.0	-59.62	373.23	6.33	-53.29
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322705	0	38	-1.0	-58.71	363.00	5.99	-52.72
O=C([O-])C1CCCCN1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322706	0	43	-1.0	-52.56	373.48	6.71	-45.85
O=C([O-])C1=CC(S(=O)(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)=NN1	REAL300008322707	0	35	-1.0	-46.45	347.85	2.96	-43.49
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322708	0	40	-1.0	-46.05	365.88	5.48	-40.57
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322709	0	35	-1.0	-53.86	342.45	3.69	-50.17
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322710	0	38	-1.0	-62.39	346.70	6.41	-55.98
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008322711	0	37	-1.0	-46.11	351.16	5.73	-40.38
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322712	0	35	-1.0	-65.17	308.89	5.36	-59.81
CCC(C)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322713	0	42	-1.0	-53.31	344.27	7.48	-45.83
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300008322714	0	27	-1.0	-49.81	274.56	4.52	-45.29
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322715	0	37	-1.0	-56.55	311.14	5.40	-51.15
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322716	0	33	-1.0	-52.25	300.92	6.25	-46.00
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300008322717	0	34	-1.0	-54.81	305.77	5.23	-49.58
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322718	0	36	-1.0	-60.23	326.29	2.41	-57.82
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300008322719	0	34	-1.0	-53.29	312.11	4.67	-48.62
COC1=CC(C)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1OC	REAL300008322720	0	41	-1.0	-50.23	330.72	4.43	-45.80
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322721	0	33	-1.0	-48.13	288.75	5.74	-42.39
CN(C1CCCCC1)S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322722	0	41	-1.0	-53.38	322.67	5.34	-48.04
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300008322723	0	46	-1.0	-53.02	367.45	8.69	-44.33
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300008322724	0	36	-1.0	-52.64	310.61	4.03	-48.61
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300008322725	0	30	-1.0	-52.58	275.18	5.24	-47.34
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300008322726	0	30	-1.0	-51.34	286.89	5.52	-45.82
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322727	0	35	-1.0	-65.50	293.32	6.66	-58.84
O=C([O-])C1=CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300008322728	0	36	-1.0	-56.11	327.56	6.90	-49.21
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322729	0	40	-1.0	-64.36	348.66	1.45	-62.91
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322730	0	41	-1.0	-57.35	348.03	6.73	-50.62
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300008322731	0	36	-1.0	-55.78	311.26	5.41	-50.37
COCC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322732	0	37	-1.0	-54.61	320.65	4.62	-49.99
CCOC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=N1	REAL300008322733	0	36	-1.0	-50.23	315.10	2.48	-47.75
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322734	0	39	-1.0	-66.67	350.62	3.09	-63.58
CS(=O)(=O)CCCS(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322735	0	35	-1.0	-68.01	314.60	0.94	-67.07
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C(C)=C1C	REAL300008322736	0	40	-1.0	-54.84	317.33	5.15	-49.69
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300008322737	0	35	-1.0	-55.32	321.24	5.38	-49.94
O=C([O-])C1=CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300008322738	0	33	-1.0	-55.34	310.62	6.25	-49.09
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300008322739	0	35	-1.0	-57.24	307.05	5.25	-51.99
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)CC1	REAL300008322740	0	40	-1.0	-60.11	338.57	0.56	-59.55
CN(C1CCOCC1)S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322741	0	39	-1.0	-52.48	313.40	2.93	-49.55
CC1=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300008322742	0	39	-1.0	-54.42	331.69	6.02	-48.40
CCN1N=C(C)C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1C	REAL300008322743	0	39	-1.0	-56.28	322.29	4.72	-51.56
CC(C)CN1C=NC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322744	0	39	-1.0	-62.50	330.11	6.16	-56.34
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322745	0	42	-1.0	-51.37	317.52	7.57	-43.80
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300008322746	0	43	-1.0	-60.99	364.63	7.48	-53.51
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322747	0	38	-1.0	-69.17	332.22	4.28	-64.89
COC1=CC(Cl)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1OC	REAL300008322748	0	38	-1.0	-52.64	331.20	4.38	-48.26
CC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1Br	REAL300008322749	0	33	-1.0	-53.69	305.60	6.07	-47.62
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300008322750	0	36	-1.0	-51.91	311.47	7.15	-44.76
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300008322751	0	35	-1.0	-46.44	319.42	6.82	-39.62
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300008322752	0	34	-1.0	-52.09	311.59	4.52	-47.57
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300008322753	0	37	-1.0	-52.78	326.14	6.46	-46.32
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322754	0	45	-1.0	-55.85	362.13	6.27	-49.58
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300008322755	0	33	-1.0	-53.68	297.77	5.76	-47.92
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322756	0	41	-1.0	-57.73	344.80	4.45	-53.28
COC1=CC=C([C@H](C)NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008363001	0	44	-1.0	-62.10	378.60	7.59	-54.51
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300008363002	0	40	-1.0	-68.42	362.38	4.72	-63.70
COC1=CC=C([C@H](C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300008363003	0	38	-1.0	-55.46	350.53	2.77	-52.69
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C=C1[N+](=O)[O-]	REAL300008363004	0	41	-1.0	-68.79	368.52	4.27	-64.52
COC1=CC=C([C@H](C)NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008363005	0	41	-1.0	-59.83	355.71	5.65	-54.18
COC1=CC=C([C@H](C)NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008363006	0	44	-1.0	-61.24	372.65	6.18	-55.06
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008363007	0	44	-1.0	-60.81	380.14	7.75	-53.06
COC1=CC=C([C@H](C)NS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008363008	0	41	-1.0	-61.92	362.38	5.84	-56.08
COC1=CC=C([C@H](C)NS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008363009	0	46	-1.0	-50.71	374.32	6.58	-44.13
COC1=CC=C([C@H](C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300008363010	0	38	-1.0	-55.46	350.53	2.77	-52.69
COC1=CC=C([C@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008363011	0	43	-1.0	-63.11	364.53	5.59	-57.52
COC1=CC=C([C@H](C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008363012	0	38	-1.0	-55.83	343.52	3.58	-52.25
COC1=CC=C([C@H](C)NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008363013	0	41	-1.0	-61.77	347.81	6.37	-55.40
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C=C1[N+](=O)[O-]	REAL300008363014	0	43	-1.0	-63.47	378.66	5.26	-58.21
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008363015	0	44	-1.0	-60.81	380.14	7.75	-53.06
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008363016	0	40	-1.0	-46.60	352.27	5.61	-40.99
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008363017	0	44	-1.0	-54.43	376.62	5.65	-48.78
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008363018	0	44	-1.0	-58.34	376.66	5.64	-52.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC1=CC=C2OCCOC2=C1	REAL300008363019	0	47	-1.0	-63.66	392.36	6.57	-57.09
CC1=CC=C(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)C=C1C(=O)[O-]	REAL300008363020	0	47	-1.0	-58.71	392.68	6.18	-52.53
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008363021	0	41	-1.0	-51.24	360.95	5.45	-45.79
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008363022	0	44	-1.0	-58.34	376.66	5.64	-52.70
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008363023	0	44	-1.0	-54.43	376.62	5.65	-48.78
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008363024	0	44	-1.0	-54.43	367.06	6.51	-47.92
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008363025	0	42	-1.0	-56.25	365.23	3.34	-52.91
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008363026	0	44	-1.0	-57.65	381.31	3.73	-53.92
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008363027	0	41	-1.0	-53.65	368.65	4.80	-48.85
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008363028	0	41	-1.0	-57.93	353.70	2.72	-55.21
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008363029	0	49	-1.0	-55.80	394.59	4.76	-51.04
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008363030	0	49	-1.0	-59.35	396.81	5.03	-54.32
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008363031	0	44	-1.0	-54.43	367.06	6.51	-47.92
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008363032	0	41	-1.0	-56.01	362.38	4.10	-51.91
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)O1	REAL300008363033	0	44	-1.0	-55.51	380.65	4.55	-50.96
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)CCCC(=O)[O-]	REAL300008363034	0	43	-1.0	-58.77	361.88	4.27	-54.50
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008363035	0	46	-1.0	-49.20	368.70	4.37	-44.83
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008363036	0	47	-1.0	-64.38	399.65	6.36	-58.02
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008363037	0	49	-1.0	-59.35	396.81	5.03	-54.32
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008363038	0	47	-1.0	-66.95	399.65	6.35	-60.60
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008363039	0	41	-1.0	-56.01	362.38	4.10	-51.91
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)CCCC(=O)[O-]	REAL300008363040	0	43	-1.0	-58.77	361.88	4.27	-54.50
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008363041	0	41	-1.0	-55.35	369.65	4.71	-50.64
CC1=CC=CC(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)=C1C(=O)[O-]	REAL300008363042	0	47	-1.0	-58.53	394.99	6.85	-51.68
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008363043	0	41	-1.0	-57.29	368.33	4.69	-52.60
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)CC1=CC=C2OCCOC2=C1	REAL300008363044	0	47	-1.0	-53.99	387.48	6.44	-47.55
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008363045	0	47	-1.0	-55.18	398.79	6.43	-48.75
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008363046	0	41	-1.0	-55.07	362.64	3.83	-51.24
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008363047	0	47	-1.0	-53.27	398.80	6.42	-46.85
CC1=C(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)C=C(C(=O)[O-])O1	REAL300008363048	0	44	-1.0	-60.30	382.42	4.82	-55.48
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008363049	0	43	-1.0	-53.25	371.79	3.85	-49.40
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008363050	0	40	-1.0	-54.92	355.26	3.89	-51.03
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008363051	0	40	-1.0	-59.97	358.87	3.40	-56.57
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008363052	0	43	-1.0	-57.78	364.00	4.74	-53.04
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)CCCCCC(=O)[O-]	REAL300008363053	0	49	-1.0	-59.64	404.88	5.83	-53.81
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008363054	0	43	-1.0	-56.47	372.53	3.83	-52.64
CC1=CC(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)=CC=C1C(=O)[O-]	REAL300008363055	0	47	-1.0	-53.78	392.66	6.20	-47.58
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)N(C)CCC(=O)[O-]	REAL300008363056	0	45	-1.0	-55.81	362.90	3.41	-52.40
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@H](C)CC1=CC=C2OCCOC2=C1	REAL300008363057	0	44	-1.0	-59.33	374.68	5.97	-53.36
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008363058	0	47	-1.0	-64.38	399.65	6.36	-58.02
CC1=CC=C(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)C=C1C(=O)[O-]	REAL300008363059	0	47	-1.0	-58.71	392.68	6.18	-52.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC1=CC=C2OCCOC2=C1	REAL300008363060	0	47	-1.0	-63.66	392.36	6.57	-57.09
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008363061	0	47	-1.0	-53.88	386.66	5.56	-48.32
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008363062	0	47	-1.0	-53.27	398.80	6.42	-46.85
CCC1=C(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)C=C(C(=O)[O-])O1	REAL300008363063	0	47	-1.0	-60.06	402.55	5.62	-54.44
CC1=NC=C(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)C=C1C(=O)[O-]	REAL300008363064	0	46	-1.0	-52.77	388.10	4.36	-48.41
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008363065	0	44	-1.0	-57.85	366.20	3.93	-53.92
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)=C1	REAL300008363066	0	44	-1.0	-57.08	380.38	4.69	-52.39
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008363067	0	41	-1.0	-59.09	354.96	4.58	-54.51
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008363068	0	44	-1.0	-47.56	354.63	4.65	-42.91
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008363069	0	41	-1.0	-57.93	353.70	2.72	-55.21
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008363070	0	44	-1.0	-57.85	366.20	3.93	-53.92
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008363071	0	43	-1.0	-52.50	368.31	3.56	-48.94
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008363072	0	47	-1.0	-62.09	389.64	6.79	-55.30
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008363073	0	43	-1.0	-60.22	372.73	3.87	-56.35
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008363074	0	41	-1.0	-50.53	362.73	2.01	-48.52
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008363075	0	44	-1.0	-60.72	378.24	3.38	-57.34
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008363076	0	44	-1.0	-58.56	364.65	4.74	-53.82
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008363077	0	47	-1.0	-62.10	380.68	5.24	-56.86
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)S1	REAL300008363078	0	44	-1.0	-55.34	386.58	5.37	-49.97
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008363079	0	47	-1.0	-63.33	390.48	6.87	-56.46
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008363080	0	44	-1.0	-61.35	372.52	4.98	-56.37
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008363081	0	49	-1.0	-60.88	381.89	5.83	-55.05
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008363082	0	41	-1.0	-50.53	362.73	2.01	-48.52
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008363083	0	46	-1.0	-51.39	368.71	4.36	-47.03
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008363084	0	41	-1.0	-57.93	353.70	2.72	-55.21
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008363085	0	44	-1.0	-65.86	355.69	5.36	-60.50
CC1=CC(S(=O)(=O)N[C@H](C)CC2=CC=C3OCCOC3=C2)=CN=C1C(=O)[O-]	REAL300008363086	0	46	-1.0	-56.74	389.28	4.40	-52.34
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008363087	0	47	-1.0	-63.33	390.48	6.87	-56.46
C[C@H](CC1=CC=C2OCCOC2=C1)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008363088	0	43	-1.0	-48.53	361.20	4.70	-43.83
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300008363089	0	43	-1.0	-54.81	362.40	6.53	-48.28
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300008363090	0	43	-1.0	-55.42	366.19	6.58	-48.84
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CC2)C=C1	REAL300008363091	0	46	-1.0	-58.65	380.63	7.41	-51.24
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)CC2)C=C1	REAL300008363092	0	47	-1.0	-62.32	373.29	6.09	-56.23
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC2)C=C1	REAL300008363093	0	46	-1.0	-53.83	379.32	7.09	-46.74
CCOC1=CC=C(C2(NS(=O)(=O)C3=C(C(=O)[O-])SC=C3)CC2)C=C1	REAL300008363094	0	40	-1.0	-51.27	349.55	6.36	-44.91
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300008363095	0	43	-1.0	-55.42	366.19	6.58	-48.84
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300008363096	0	43	-1.0	-54.81	362.40	6.53	-48.28
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=CC=C3C(=O)[O-])CC2)C=C1	REAL300008363097	0	43	-1.0	-53.63	355.15	7.26	-46.37
CCOC1=CC=C(C2(NS(=O)(=O)C3=CNC(C(=O)[O-])=C3)CC2)C=C1	REAL300008363098	0	41	-1.0	-53.15	349.85	4.14	-49.01
CCOC1=CC=C(C2(NS(=O)(=O)C3=CN(CC(=O)[O-])N=C3)CC2)C=C1	REAL300008363099	0	43	-1.0	-52.52	371.71	4.76	-47.76
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])S3)CC2)C=C1	REAL300008363100	0	40	-1.0	-49.42	358.28	5.75	-43.67
CCOC1=CC=C(C2(NS(=O)(=O)C3=NNC=C3C(=O)[O-])CC2)C=C1	REAL300008363101	0	40	-1.0	-47.87	332.38	2.78	-45.09
CCOC1=CC=C(C2(NS(=O)(=O)N3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300008363102	0	48	-1.0	-50.24	373.97	5.40	-44.84
CCOC1=CC=C(C2(NS(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)C=C1	REAL300008363103	0	48	-1.0	-52.70	378.99	6.03	-46.67
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=CC=C3C(=O)[O-])CC2)C=C1	REAL300008363104	0	43	-1.0	-53.63	355.15	7.26	-46.37
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(Cl)=CC=C3C(=O)[O-])CC2)C=C1	REAL300008363105	0	43	-1.0	-47.81	368.24	7.85	-39.96
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)C=C1	REAL300008363106	0	40	-1.0	-52.91	351.54	4.67	-48.24
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)CC2)C=C1	REAL300008363107	0	43	-1.0	-55.52	368.74	5.11	-50.41
CCOC1=CC=C(C2(NS(=O)(=O)CCCC(=O)[O-])CC2)C=C1	REAL300008363108	0	42	-1.0	-52.49	350.33	5.14	-47.35
CCOC1=CC=C(C2(NS(=O)(=O)N3CCCC3C(=O)[O-])CC2)C=C1	REAL300008363109	0	45	-1.0	-47.20	343.94	5.19	-42.01
CCOC1=CC=C(C2(NS(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300008363110	0	46	-1.0	-56.73	388.10	7.24	-49.49
CCOC1=CC=C(C2(NS(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)C=C1	REAL300008363111	0	48	-1.0	-52.70	378.99	6.03	-46.67
CCOC1=CC=C(C2(NS(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300008363112	0	46	-1.0	-59.20	384.12	7.19	-52.01
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)C=C1	REAL300008363113	0	40	-1.0	-52.91	351.54	4.67	-48.24
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2)C=C1	REAL300008363114	0	47	-1.0	-50.66	398.72	6.94	-43.72
CCOC1=CC=C(C2(NS(=O)(=O)CCCC(=O)[O-])CC2)C=C1	REAL300008363115	0	42	-1.0	-52.49	350.33	5.14	-47.35
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C=C1	REAL300008363116	0	40	-1.0	-52.47	359.40	5.64	-46.83
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)CC2)C=C1	REAL300008363117	0	49	-1.0	-59.03	397.82	8.02	-51.01
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=CC(C)=C3C(=O)[O-])CC2)C=C1	REAL300008363118	0	46	-1.0	-59.34	383.31	7.79	-51.55
CCOC1=CC=C(C2(NS(=O)(=O)C3=CSC(C(=O)[O-])=C3)CC2)C=C1	REAL300008363119	0	40	-1.0	-53.00	352.52	5.48	-47.52
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)CC2)C=C1	REAL300008363120	0	46	-1.0	-50.88	371.65	7.25	-43.63
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2)C=C1	REAL300008363121	0	46	-1.0	-50.54	389.84	7.44	-43.10
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=CO3)CC2)C=C1	REAL300008363122	0	40	-1.0	-51.48	347.67	4.68	-46.80
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2)C=C1	REAL300008363123	0	46	-1.0	-47.16	383.65	7.29	-39.87
CCOC1=CC=C(C2(NS(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)CC2)C=C1	REAL300008363124	0	43	-1.0	-55.59	369.11	5.68	-49.91
CCOC1=CC=C(C2(NS(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300008363125	0	42	-1.0	-49.30	356.00	4.59	-44.71
CCOC1=CC=C(C2(NS(=O)(=O)C3=CSN=C3C(=O)[O-])CC2)C=C1	REAL300008363126	0	39	-1.0	-54.28	344.05	4.70	-49.58
CCOC1=CC=C(C2(NS(=O)(=O)C3=C(C(=O)[O-])N=CS3)CC2)C=C1	REAL300008363127	0	39	-1.0	-64.19	337.21	4.18	-60.01
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=CN=C3C(=O)[O-])CC2)C=C1	REAL300008363128	0	42	-1.0	-56.18	354.05	5.41	-50.77
CCOC1=CC=C(C2(NS(=O)(=O)CCCCCC(=O)[O-])CC2)C=C1	REAL300008363129	0	48	-1.0	-52.85	393.33	6.70	-46.15
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)CC2)C=C1	REAL300008363130	0	42	-1.0	-57.31	362.15	4.76	-52.55
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300008363131	0	43	-1.0	-50.41	383.00	7.09	-43.32
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(OC)C(C(=O)[O-])=C3)CC2)C=C1	REAL300008363132	0	47	-1.0	-65.47	393.50	6.65	-58.82
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)CC2)C=C1	REAL300008363133	0	46	-1.0	-54.00	379.31	7.10	-46.90
CCOC1=CC=C(C2(NS(=O)(=O)N(C)CCC(=O)[O-])CC2)C=C1	REAL300008363134	0	44	-1.0	-51.85	358.93	5.15	-46.70
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300008363135	0	43	-1.0	-50.41	383.00	7.09	-43.32
CCOC1=CC=C(C2(NS(=O)(=O)C3=C(C(=O)[O-])SC=C3C)CC2)C=C1	REAL300008363136	0	43	-1.0	-54.03	365.88	7.03	-47.00
CCOC1=CC=C(C2(NS(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300008363137	0	46	-1.0	-56.73	388.10	7.24	-49.49
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)CC2)C=C1	REAL300008363138	0	47	-1.0	-62.32	373.29	6.09	-56.23
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC2)C=C1	REAL300008363139	0	46	-1.0	-53.83	379.32	7.09	-46.74
CCOC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CC2)C=C1	REAL300008363140	0	46	-1.0	-58.65	380.63	7.41	-51.24
CCOC1=CC=C(C2(NS(=O)(=O)CC3(CC(=O)[O-])CC3)CC2)C=C1	REAL300008363141	0	46	-1.0	-51.42	366.41	6.43	-44.99
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CCC(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1CCCCCC1	REAL300008367001	0	47	-1.0	-53.12	356.08	6.51	-46.61
CCC(NS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCCCC1	REAL300008367002	0	52	-1.0	-50.43	349.18	7.08	-43.35
CCC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1CCCCCC1	REAL300008367003	0	44	-1.0	-43.53	340.30	3.48	-40.05
CCC(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CCCCCC1	REAL300008367004	0	49	-1.0	-59.42	355.18	6.17	-53.25
CCC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1CCCCCC1	REAL300008367005	0	44	-1.0	-51.19	332.60	4.13	-47.06
CCC(NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1CCCCCC1	REAL300008367006	0	44	-1.0	-41.86	357.02	7.49	-34.37
CCC(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCCCCC1	REAL300008367007	0	47	-1.0	-56.74	339.06	6.87	-49.87
CCC(NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C1CCCCCC1	REAL300008367008	0	49	-1.0	-51.05	371.72	5.88	-45.17
CCC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1CCCCCC1	REAL300008367009	0	50	-1.0	-57.81	367.58	8.18	-49.63
CCOC1=CC=C(S(=O)(=O)NC(CC)C2CCCCCC2)C=C1C(=O)[O-]	REAL300008367010	0	54	-1.0	-59.08	410.58	8.16	-50.92
CCC(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1CCCCCC1	REAL300008367011	0	54	-1.0	-51.72	405.30	9.05	-42.67
CCC(NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1CCCCCC1	REAL300008367012	0	46	-1.0	-45.78	335.94	6.18	-39.60
CCC(NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1)C1CCCCCC1	REAL300008367013	0	52	-1.0	-54.68	403.17	7.56	-47.12
CCS(=O)(=O)NC1=CC=CC2=C1CCN(S(=O)(=O)CCCC(=O)[O-])C2	REAL300008367014	0	46	-1.0	-57.81	390.57	3.51	-54.30
CCS(=O)(=O)NC1=CC=CC2=C1CCN(S(=O)(=O)CCCC(=O)[O-])C2	REAL300008367015	0	46	-1.0	-57.81	390.57	3.51	-54.30
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367016	0	35	-1.0	-57.34	299.62	2.81	-54.53
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367017	0	31	-1.0	-60.52	281.82	4.62	-55.90
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1	REAL300008367018	0	35	-1.0	-49.31	305.91	3.22	-46.09
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367019	0	35	-1.0	-45.11	310.40	3.96	-41.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1C	REAL300008367020	0	37	-1.0	-59.71	299.06	3.93	-55.78
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1	REAL300008367021	0	38	-1.0	-53.78	329.66	2.67	-51.11
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367022	0	34	-1.0	-58.14	304.17	5.11	-53.03
O=C([O-])C1=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C2=CC=CC=C2S1	REAL300008367023	0	34	-1.0	-56.19	297.01	4.99	-51.20
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1[N+](=O)[O-]	REAL300008367024	0	36	-1.0	-43.38	312.81	4.01	-39.37
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1	REAL300008367025	0	31	-1.0	-48.55	291.33	3.48	-45.07
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1	REAL300008367026	0	31	-1.0	-48.56	295.90	3.59	-44.97
COC1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1C(=O)[O-]	REAL300008367027	0	35	-1.0	-58.28	302.01	3.02	-55.26
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)C=CC=C21	REAL300008367028	0	36	-1.0	-52.52	301.19	3.11	-49.41
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1	REAL300008367029	0	38	-1.0	-53.78	329.66	2.67	-51.11
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1	REAL300008367030	0	31	-1.0	-48.55	291.33	3.48	-45.07
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367031	0	31	-1.0	-52.16	269.70	3.25	-48.91
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367032	0	34	-1.0	-52.47	295.28	3.80	-48.67
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)C=C21	REAL300008367033	0	37	-1.0	-52.10	321.50	4.32	-47.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367034	0	35	-1.0	-57.34	299.62	2.81	-54.53
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367035	0	35	-1.0	-46.35	305.64	3.07	-43.28
COC1=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)SC(C(=O)[O-])=C1	REAL300008367036	0	32	-1.0	-50.42	291.43	1.33	-49.09
CC1=C(Br)C=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1C(=O)[O-]	REAL300008367037	0	34	-1.0	-46.35	308.51	4.02	-42.33
O=C([O-])C1CC2=CC(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)=CC=C2O1	REAL300008367038	0	36	-1.0	-50.15	311.40	3.65	-46.50
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1C(F)(F)F	REAL300008367039	0	34	-1.0	-48.05	304.68	3.78	-44.27
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)C=C2)CC1	REAL300008367040	0	38	-1.0	-54.38	320.96	4.82	-49.56
CCC1=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C(C(=O)[O-])O1	REAL300008367041	0	34	-1.0	-52.86	291.40	2.69	-50.17
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367042	0	33	-1.0	-62.72	292.37	4.66	-58.06
O=C([O-])C1=CC2=CC(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)=CC=C2S1	REAL300008367043	0	34	-1.0	-51.33	312.47	4.47	-46.86
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367044	0	33	-1.0	-53.12	293.27	4.76	-48.36
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367045	0	35	-1.0	-49.22	299.57	2.82	-46.40
COC1=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=CC=C1C(=O)[O-]	REAL300008367046	0	35	-1.0	-54.57	301.84	3.05	-51.52
COC1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C(CC(=O)[O-])=C1	REAL300008367047	0	38	-1.0	-64.92	315.20	3.60	-61.32
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1F	REAL300008367048	0	34	-1.0	-51.89	302.19	3.80	-48.09
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1	REAL300008367049	0	34	-1.0	-45.90	313.34	3.95	-41.95
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1	REAL300008367050	0	40	-1.0	-51.83	329.75	4.61	-47.22
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)C=CC=C12	REAL300008367051	0	37	-1.0	-50.88	303.72	4.83	-46.05
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367052	0	31	-1.0	-60.45	286.39	4.73	-55.72
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=CC=C1Cl	REAL300008367053	0	31	-1.0	-52.25	287.24	3.34	-48.91
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1	REAL300008367054	0	35	-1.0	-65.15	293.56	3.32	-61.83
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1OC	REAL300008367055	0	43	-1.0	-51.23	358.20	4.14	-47.09
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1C(=O)[O-]	REAL300008367056	0	33	-2.0	-135.30	301.57	3.91	-131.39
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367057	0	38	-1.0	-55.79	314.28	2.66	-53.13
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1	REAL300008367058	0	28	-1.0	-48.47	274.03	1.64	-46.83
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C2=CC=CC=C12	REAL300008367059	0	37	-1.0	-51.16	303.37	4.83	-46.33
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367060	0	38	-1.0	-56.84	321.25	3.72	-53.12
COC1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C(C(=O)[O-])=C1	REAL300008367061	0	35	-1.0	-70.15	294.65	3.40	-66.75
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)C=C2C=C1	REAL300008367062	0	37	-1.0	-52.74	320.47	5.25	-47.49
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)S1	REAL300008367063	0	31	-1.0	-51.10	285.66	2.69	-48.41
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1C[C@H]2C[C@@H]1CO2	REAL300008367064	0	37	-1.0	-73.21	311.06	6.37	-66.84
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C1	REAL300008367065	0	34	-1.0	-42.03	301.10	4.38	-37.65
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1C[C@H]3C[C@@H]1CO3)=C2	REAL300008367066	0	31	-1.0	-49.72	304.09	3.57	-46.15
O=C([O-])C1=NC(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)=C2C=CC=CN21	REAL300008367067	0	34	-1.0	-71.93	300.84	1.60	-70.33
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)=C2C=C1	REAL300008367068	0	34	-1.0	-45.90	301.19	4.23	-41.67
O=C([O-])C1=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C(Cl)S1	REAL300008367069	0	28	-1.0	-57.31	275.13	3.24	-54.07
CCOC1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1C(=O)[O-]	REAL300008367070	0	38	-1.0	-60.47	323.86	3.92	-56.55
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)C=C2C1	REAL300008367071	0	38	-1.0	-50.30	319.22	4.85	-45.45
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3C[C@H]4C[C@@H]3CO4)C=C2C=C1	REAL300008367072	0	36	-1.0	-55.97	316.31	3.38	-52.59
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367073	0	37	-1.0	-68.31	321.94	4.49	-63.82
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367074	0	44	-1.0	-54.72	356.58	6.62	-48.10
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)S1	REAL300008367075	0	29	-1.0	-54.58	287.89	3.63	-50.95
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367076	0	39	-1.0	-60.53	313.03	4.39	-56.14
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367077	0	35	-1.0	-59.00	316.37	5.44	-53.56
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008367078	0	36	-1.0	-59.56	306.88	4.17	-55.39
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367079	0	38	-1.0	-60.91	338.60	1.55	-59.36
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008367080	0	36	-1.0	-54.03	325.61	3.82	-50.21
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300008367081	0	43	-1.0	-58.78	352.90	4.12	-54.66
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367082	0	35	-1.0	-55.64	311.11	5.43	-50.21
CN(C1CCCCC1)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367083	0	43	-1.0	-56.66	332.65	4.33	-52.33
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367084	0	38	-1.0	-57.22	315.46	3.10	-54.12
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008367085	0	48	-1.0	-54.58	379.76	7.84	-46.74
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008367086	0	38	-1.0	-58.67	323.66	3.17	-55.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1Br	REAL300008367087	0	32	-1.0	-57.39	296.09	4.77	-52.62
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008367088	0	32	-1.0	-56.86	300.10	4.69	-52.17
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367089	0	37	-1.0	-70.76	316.61	6.44	-64.32
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008367090	0	38	-1.0	-60.52	340.74	6.00	-54.52
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367091	0	42	-1.0	-70.06	361.36	0.59	-69.47
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367092	0	43	-1.0	-53.72	360.36	5.86	-47.86
CC1=CC(F)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367093	0	35	-1.0	-53.85	305.30	4.74	-49.11
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008367094	0	38	-1.0	-56.46	323.54	4.52	-51.94
COCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367095	0	39	-1.0	-55.94	332.97	3.76	-52.18
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300008367096	0	38	-1.0	-52.78	327.87	1.63	-51.15
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367097	0	41	-1.0	-67.89	362.93	2.24	-65.65
CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367098	0	37	-1.0	-75.17	327.02	0.03	-75.14
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300008367099	0	42	-1.0	-57.46	339.48	4.83	-52.63
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008367100	0	37	-1.0	-58.42	323.00	4.48	-53.94
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008367101	0	35	-1.0	-60.48	323.81	5.34	-55.14
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008367102	0	37	-1.0	-59.42	320.54	4.42	-55.00
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300008367103	0	42	-1.0	-61.66	352.05	-0.28	-61.94
CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367104	0	41	-1.0	-57.36	324.43	2.03	-55.33
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008367105	0	41	-1.0	-59.22	352.99	5.28	-53.94
CCN1N=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300008367106	0	41	-1.0	-54.71	338.16	3.92	-50.79
CC(C)N1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300008367107	0	38	-1.0	-54.73	323.85	3.12	-51.61
CC(C)CN1C=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367108	0	41	-1.0	-59.81	342.10	5.25	-54.56
CC(C)N1C=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367109	0	38	-1.0	-58.99	323.03	4.38	-54.61
CC(C)C1=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN1	REAL300008367110	0	38	-1.0	-58.39	321.38	2.44	-55.95
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367111	0	44	-1.0	-60.03	325.20	6.32	-53.71
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300008367112	0	45	-1.0	-61.99	383.75	6.97	-55.02
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367113	0	40	-1.0	-71.63	345.28	3.48	-68.15
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300008367114	0	40	-1.0	-47.87	351.79	3.79	-44.08
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300008367115	0	35	-1.0	-55.33	319.11	5.23	-50.10
CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367116	0	35	-1.0	-54.62	298.87	4.81	-49.81
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008367117	0	38	-1.0	-56.30	334.94	6.80	-49.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008367118	0	37	-1.0	-51.74	330.26	6.13	-45.61
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008367119	0	36	-1.0	-57.17	325.06	3.67	-53.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008367120	0	39	-1.0	-56.41	329.01	5.58	-50.83
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367121	0	47	-1.0	-56.82	377.16	5.51	-51.31
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008367122	0	35	-1.0	-54.12	312.08	4.96	-49.16
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367123	0	43	-1.0	-62.54	347.03	3.45	-59.09
O=C([O-])C1CC12CCC(C(=O)NC1=CN=CC3=C1CCC3)C2	REAL300008419001	0	41	-1.0	-49.66	324.95	8.02	-41.64
O=C([O-])C1(C(=O)NCC(O)(C2=CC=CC=C2Cl)C(F)(F)F)C[NH2+]CCO1	REAL300008419002	0	42	0.0	-50.06	348.86	2.61	-47.45
O=C([O-])C1(C(=O)NCC(O)(C2=CC=CC=C2Cl)C(F)(F)F)CNCCO1	REAL300008419002	1	41	-1.0	-53.43	346.70	1.64	-51.79
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC(O)(C1=CC=CC=C1Cl)C(F)(F)F	REAL300008419003	0	40	0.0	-60.75	340.45	2.31	-58.44
[NH3+][C@@H](CC(=O)NCC(O)(C1=CC=CC=C1Cl)C(F)(F)F)C(=O)[O-]	REAL300008419004	0	37	0.0	-33.27	318.84	1.50	-31.77
O=C([O-])C1(C(=O)NCC(O)(C2=CC=C(Cl)C=C2)C(F)(F)F)C[NH2+]CCO1	REAL300008419005	0	42	0.0	-51.68	362.15	2.97	-48.71
O=C([O-])C1(C(=O)NCC(O)(C2=CC=C(Cl)C=C2)C(F)(F)F)CNCCO1	REAL300008419005	1	41	-1.0	-46.86	357.54	1.54	-45.32
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL300008419006	0	40	0.0	-63.45	353.39	2.34	-61.11
[NH3+][C@@H](CC(=O)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F)C(=O)[O-]	REAL300008419007	0	37	0.0	-35.00	331.01	1.75	-33.25
CC(C)CCOCCCNC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419008	0	47	0.0	-50.51	362.58	3.57	-46.94
CC(C)CCOCCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419008	1	46	-1.0	-48.71	361.52	2.26	-46.45
CC(C)CCOCCCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419009	0	50	-1.0	-56.67	391.40	7.97	-48.70
O=C([O-])C1(C(=O)NC(CO)CC2=CC=CC(F)=C2)C[NH2+]CCO1	REAL300008419010	0	42	0.0	-52.62	341.32	2.26	-50.36
O=C([O-])C1(C(=O)NC(CO)CC2=CC=CC(F)=C2)CNCCO1	REAL300008419010	1	41	-1.0	-57.03	340.16	0.98	-56.05
O=C([O-])C1CC12CCC(C(=O)NC(CO)CC1=CC=CC(F)=C1)C2	REAL300008419011	0	45	-1.0	-59.68	370.14	6.68	-53.00
CCC1CCCC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008419012	0	50	-1.0	-46.52	365.73	9.41	-37.11
O=C([O-])C1CC12CCC(C(=O)NC1CCC3OCCC3C1)C2	REAL300008419013	0	46	-1.0	-58.49	350.73	7.06	-51.43
CC1(C)CC(=O)NC1CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419014	0	45	-1.0	-52.93	349.88	4.67	-48.26
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C(=O)C1(C(=O)[O-])C[NH2+]CCO1)=C2	REAL300008419015	0	51	0.0	-57.26	395.19	9.95	-47.31
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C(=O)C1(C(=O)[O-])CNCCO1)=C2	REAL300008419015	1	50	-1.0	-60.23	394.06	8.62	-51.61
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C(=O)[C@@H]([NH3+])CCC(=O)[O-])=C2	REAL300008419016	0	49	0.0	-63.20	392.63	9.36	-53.84
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C(=O)C[C@H]([NH3+])C(=O)[O-])=C2	REAL300008419017	0	46	0.0	-34.69	373.09	8.87	-25.82
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C(=O)C1CCC3(CC3C(=O)[O-])C1)=C2	REAL300008419018	0	54	-1.0	-66.59	428.20	14.28	-52.31
O=C([O-])C1CC12CCC(C(=O)N1CC3CC1(CO)CCC3)C2	REAL300008419019	0	46	-1.0	-50.24	333.50	7.06	-43.18
CC1(C)SCCC1CNC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419020	0	42	0.0	-50.00	324.30	4.07	-45.93
CC1(C)SCCC1CNC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419020	1	41	-1.0	-48.91	323.21	2.77	-46.14
CC1(C)SCCC1CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419021	0	45	-1.0	-47.71	350.95	8.41	-39.30
O=C([O-])C1(C(=O)NCC2C[NH2+]CCC23CCOC3)C[NH2+]CCO1	REAL300008419022	0	49	1.0	-99.45	347.36	0.92	-98.53
O=C([O-])C1(C(=O)NCC2C[NH2+]CCC23CCOC3)CNCCO1	REAL300008419022	1	48	0.0	-70.64	344.85	-0.38	-71.02
CC(CC1=CC=C(Cl)S1)NC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419023	0	38	0.0	-53.47	333.86	5.06	-48.41
CC(CC1=CC=C(Cl)S1)NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419023	1	37	-1.0	-47.85	325.78	3.55	-44.30
CC(CC1=CC=C(Cl)S1)NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008419024	0	36	0.0	-60.16	326.40	4.58	-55.58
CC(CC1=CC=C(Cl)S1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419025	0	41	-1.0	-57.17	362.69	9.47	-47.70
O=C([O-])C1(C(=O)N[C@H]2C[C@H](C3=CC=CC(Br)=C3)C2)C[NH2+]CCO1	REAL300008419026	0	42	0.0	-51.86	349.93	6.23	-45.63
O=C([O-])C1(C(=O)N[C@H]2C[C@H](C3=CC=CC(Br)=C3)C2)CNCCO1	REAL300008419026	1	41	-1.0	-48.10	346.86	4.92	-43.18
[NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1	REAL300008419027	0	40	0.0	-61.53	342.78	5.71	-55.82
[NH3+][C@@H](CC(=O)N[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1)C(=O)[O-]	REAL300008419028	0	37	0.0	-33.16	320.38	5.11	-28.05
O=C([O-])C1CC12CCC(C(=O)N[C@H]1C[C@H](C3=CC=CC(Br)=C3)C1)C2	REAL300008419029	0	45	-1.0	-51.84	376.58	10.59	-41.25
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)C1(C(=O)[O-])C[NH2+]CCO1)C2	REAL300008419030	0	48	0.0	-50.07	324.37	6.25	-43.82
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL300008419030	1	47	-1.0	-52.03	321.95	4.79	-47.24
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL300008419031	0	51	-1.0	-57.92	359.66	10.79	-47.13
O=C([O-])C1(C(=O)NC2=CC=C(Br)C3=C2CCO3)C[NH2+]CCO1	REAL300008419032	0	37	0.0	-51.29	314.98	3.94	-47.35
O=C([O-])C1(C(=O)NC2=CC=C(Br)C3=C2CCO3)CNCCO1	REAL300008419032	1	36	-1.0	-47.00	314.68	2.66	-44.34
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CC=C(Br)C2=C1CCO2	REAL300008419033	0	35	0.0	-65.41	308.67	3.49	-61.92
[NH3+][C@@H](CC(=O)NC1=CC=C(Br)C2=C1CCO2)C(=O)[O-]	REAL300008419034	0	32	0.0	-36.00	285.65	2.86	-33.14
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(Br)C3=C1CCO3)C2	REAL300008419035	0	40	-1.0	-47.71	341.71	8.37	-39.34
COC1=CC(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=CC=C1N1CCCCC1=O	REAL300008419036	0	50	0.0	-58.15	390.30	4.81	-53.34
COC1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1N1CCCCC1=O	REAL300008419036	1	49	-1.0	-54.68	389.05	3.51	-51.17
COC1=CC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])=CC=C1N1CCCCC1=O	REAL300008419037	0	48	0.0	-71.24	383.04	4.35	-66.89
COC1=CC(NC(=O)C[C@H]([NH3+])C(=O)[O-])=CC=C1N1CCCCC1=O	REAL300008419038	0	45	0.0	-40.36	360.67	3.73	-36.63
COC1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1N1CCCCC1=O	REAL300008419039	0	53	-1.0	-56.35	417.46	9.25	-47.10
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419040	0	49	0.0	-50.64	373.51	6.28	-44.36
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419040	1	48	-1.0	-48.12	373.40	4.55	-43.57
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008419041	0	47	0.0	-58.25	366.20	5.78	-52.47
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008419042	0	44	0.0	-32.68	347.03	4.76	-27.92
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419043	0	52	-1.0	-50.22	404.57	10.27	-39.95
COC(=O)C1=C2CN(C(=O)C3(C(=O)[O-])C[NH2+]CCO3)CCN2C=C1	REAL300008419044	0	43	0.0	-59.06	336.84	5.24	-53.82
COC(=O)C1=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCN2C=C1	REAL300008419044	1	42	-1.0	-48.71	334.53	3.79	-44.92
COC(=O)C1=C2CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CCN2C=C1	REAL300008419045	0	41	0.0	-67.04	329.49	4.56	-62.48
COC(=O)C1=C2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCN2C=C1	REAL300008419046	0	46	-1.0	-62.73	365.85	9.57	-53.16
O=C([O-])C1(C(=O)NCC23CC(CCC2)C(=O)N3)C[NH2+]CCO1	REAL300008419047	0	43	0.0	-53.09	323.43	1.10	-51.99
O=C([O-])C1(C(=O)NCC23CC(CCC2)C(=O)N3)CNCCO1	REAL300008419047	1	42	-1.0	-51.56	322.58	-0.30	-51.86
O=C([O-])C1CC12CCC(C(=O)NCC13CC(CCC1)C(=O)N3)C2	REAL300008419048	0	46	-1.0	-61.81	352.54	5.58	-56.23
O=C([O-])C1CC12CCC(C(=O)NCC(O)CN1C=CC=N1)C2	REAL300008419049	0	42	-1.0	-61.69	348.46	3.53	-58.16
C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300008419050	0	57	1.0	-79.29	402.12	7.05	-72.24
C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300008419050	1	57	1.0	-79.53	401.53	7.16	-72.37
C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CNCCO2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300008419050	1	56	0.0	-63.87	398.98	5.67	-58.20
C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CNCCO2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300008419050	1	56	0.0	-64.59	400.30	5.86	-58.73
C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300008419051	0	55	1.0	-97.80	394.89	6.50	-91.30
C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300008419051	1	55	1.0	-96.45	394.44	6.60	-89.85
C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300008419052	0	52	1.0	-68.93	372.61	5.87	-63.06
C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300008419052	1	52	1.0	-70.64	372.06	6.02	-64.62
C[C@@H]1C[C@H](NC(=O)C2CCC3(CC3C(=O)[O-])C2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300008419053	0	60	0.0	-75.66	428.77	11.40	-64.26
C[C@@H]1C[C@H](NC(=O)C2CCC3(CC3C(=O)[O-])C2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300008419053	1	60	0.0	-80.19	428.84	11.52	-68.67
O=C([O-])C1(C(=O)NCC2(CO)CCC2CO)C[NH2+]CCO1	REAL300008419054	0	43	0.0	-52.37	328.83	-2.82	-55.19
O=C([O-])C1(C(=O)NCC2(CO)CCC2CO)CNCCO1	REAL300008419054	1	42	-1.0	-56.11	327.74	-4.12	-60.23
O=C([O-])C1CC12CCC(C(=O)NCC1(CO)CCC1CO)C2	REAL300008419055	0	46	-1.0	-61.95	357.73	1.57	-60.38
O=C([O-])C1(C(=O)NC[C@]2(CO)COC[C@H]3CCCN32)C[NH2+]CCO1	REAL300008419056	0	49	0.0	-54.52	347.44	-0.93	-55.45
O=C([O-])C1(C(=O)NC[C@]2(CO)COC[C@H]3CCC[N@@H+]32)C[NH2+]CCO1	REAL300008419056	1	50	1.0	-79.39	355.50	0.34	-79.05
O=C([O-])C1(C(=O)NC[C@]2(CO)COC[C@H]3CCC[N@H+]32)C[NH2+]CCO1	REAL300008419056	1	50	1.0	-73.27	359.70	0.25	-73.02
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC[C@]1(CO)COC[C@H]2CCC[N@@H+]21	REAL300008419057	0	48	1.0	-91.85	348.32	-0.18	-92.03
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC[C@]1(CO)COC[C@H]2CCC[N@H+]21	REAL300008419057	1	48	1.0	-94.93	347.51	-0.62	-95.55
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC[C@]1(CO)COC[C@H]2CCCN21	REAL300008419057	1	47	0.0	-57.09	346.53	-2.13	-59.22
[NH3+][C@@H](CC(=O)NC[C@]1(CO)COC[C@H]2CCC[N@@H+]21)C(=O)[O-]	REAL300008419058	0	45	1.0	-67.25	325.94	-0.79	-68.04
[NH3+][C@@H](CC(=O)NC[C@]1(CO)COC[C@H]2CCC[N@H+]21)C(=O)[O-]	REAL300008419058	1	45	1.0	-69.14	325.27	-1.24	-70.38
[NH3+][C@@H](CC(=O)NC[C@]1(CO)COC[C@H]2CCCN21)C(=O)[O-]	REAL300008419058	1	44	0.0	-31.14	324.19	-2.74	-33.88
O=C([O-])C1CC12CCC(C(=O)NC[C@]1(CO)COC[C@H]3CCC[N@@H+]31)C2	REAL300008419059	0	53	0.0	-73.04	383.22	4.79	-68.25
O=C([O-])C1CC12CCC(C(=O)NC[C@]1(CO)COC[C@H]3CCC[N@H+]31)C2	REAL300008419059	1	53	0.0	-73.58	381.85	4.26	-69.32
O=C([O-])C1CC12CCC(C(=O)NC[C@]1(CO)COC[C@H]3CCCN31)C2	REAL300008419059	1	52	-1.0	-50.98	381.14	2.59	-48.39
C[C@@H]1COC[C@@](CO)(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])N1CC1=CC=CC=C1	REAL300008419060	0	56	0.0	-56.74	397.25	-0.20	-56.94
C[C@@H]1COC[C@@](CO)(CNC(=O)C[C@H]([NH3+])C(=O)[O-])N1CC1=CC=CC=C1	REAL300008419061	0	53	0.0	-32.71	369.62	0.12	-32.59
O=C([O-])C1(C(=O)NCC2=NOC(C3=CC=C(Cl)C=C3)=C2)C[NH2+]CCO1	REAL300008419062	0	41	0.0	-49.03	356.57	5.28	-43.75
O=C([O-])C1(C(=O)NCC2=NOC(C3=CC=C(Cl)C=C3)=C2)CNCCO1	REAL300008419062	1	40	-1.0	-53.00	355.51	3.97	-49.03
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300008419063	0	39	0.0	-60.65	349.40	4.73	-55.92
[NH3+][C@@H](CC(=O)NCC1=NOC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300008419064	0	36	0.0	-33.66	327.01	4.13	-29.53
O=C([O-])C1CC12CCC(C(=O)NCC1=NOC(C3=CC=C(Cl)C=C3)=C1)C2	REAL300008419065	0	44	-1.0	-58.97	385.40	9.69	-49.28
O=C([O-])C1(C(=O)N2CCC(CC(F)F)CC2)C[NH2+]CCO1	REAL300008419066	0	41	0.0	-47.97	309.50	5.11	-42.86
O=C([O-])C1(C(=O)N2CCC(CC(F)F)CC2)CNCCO1	REAL300008419066	1	40	-1.0	-53.50	304.42	3.83	-49.67
O=C([O-])C1CC12CCC(C(=O)N1CCC(CC(F)F)CC1)C2	REAL300008419067	0	44	-1.0	-63.94	335.89	9.49	-54.45
CC1CN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC2=C(Cl)C=CC=C21	REAL300008419068	0	42	0.0	-50.28	327.56	6.73	-43.55
CC1CN(C(=O)C2(C(=O)[O-])CNCCO2)CC2=C(Cl)C=CC=C21	REAL300008419068	1	41	-1.0	-48.12	325.13	5.29	-42.83
CC1CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC2=C(Cl)C=CC=C21	REAL300008419069	0	40	0.0	-58.93	322.04	6.11	-52.82
CC1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC2=C(Cl)C=CC=C21	REAL300008419070	0	45	-1.0	-52.02	356.72	11.00	-41.02
CC1OC2=CC=C(CNC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C=C2C1C	REAL300008419071	0	46	0.0	-53.43	358.24	4.80	-48.63
CC1OC2=CC=C(CNC(=O)C3(C(=O)[O-])CNCCO3)C=C2C1C	REAL300008419071	1	45	-1.0	-50.33	357.23	3.49	-46.84
CC1OC2=CC=C(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=C2C1C	REAL300008419072	0	44	0.0	-62.61	351.13	4.24	-58.37
CC1OC2=CC=C(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2C1C	REAL300008419073	0	49	-1.0	-57.46	387.13	9.20	-48.26
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1	REAL300008419074	0	47	1.0	-111.08	348.39	3.35	-107.73
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N1CCNCC1	REAL300008419074	1	46	0.0	-69.31	345.58	1.58	-67.73
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419075	0	45	0.0	-51.10	361.32	5.46	-45.64
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419075	1	44	-1.0	-47.42	357.41	4.08	-43.34
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008419076	0	43	0.0	-64.44	353.85	5.00	-59.44
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008419077	0	40	0.0	-35.85	331.99	4.37	-31.48
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419078	0	48	-1.0	-51.46	386.84	9.86	-41.60
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419079	0	45	0.0	-53.84	364.02	4.76	-49.08
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419079	1	44	-1.0	-53.57	362.86	3.45	-50.12
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008419080	0	43	0.0	-66.11	356.92	4.29	-61.82
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008419081	0	40	0.0	-37.19	334.69	3.66	-33.53
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419082	0	48	-1.0	-51.93	389.80	9.15	-42.78
CN1N=C(C(F)(F)F)C(Br)=C1CNC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008419083	0	36	0.0	-62.81	337.66	2.16	-60.65
CN1N=C(C(F)(F)F)C(Br)=C1CNC(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008419084	0	33	0.0	-35.75	315.27	1.56	-34.19
O=C([O-])C1CC12CCC(C(=O)N[C@H]1C[C@H]3CCCC[C@H]3C1)C2	REAL300008419085	0	48	-1.0	-62.00	354.43	9.42	-52.58
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1(C2=NC=CC(C(F)(F)F)=N2)CCC1	REAL300008419086	0	41	0.0	-65.94	350.66	3.19	-62.75
[NH3+][C@@H](CC(=O)NC1(C2=NC=CC(C(F)(F)F)=N2)CCC1)C(=O)[O-]	REAL300008419087	0	38	0.0	-36.22	328.62	2.52	-33.70
O=C([O-])C1CC12CCC(C(=O)NC1(C3=NC=CC(C(F)(F)F)=N3)CCC1)C2	REAL300008419088	0	46	-1.0	-63.02	385.02	8.14	-54.88
O=C([O-])C1(C(=O)NC2=CC=CC(C3CC3(F)F)=C2)C[NH2+]CCO1	REAL300008419089	0	39	0.0	-51.34	318.83	5.68	-45.66
O=C([O-])C1(C(=O)NC2=CC=CC(C3CC3(F)F)=C2)CNCCO1	REAL300008419089	1	38	-1.0	-47.56	316.00	4.32	-43.24
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC(C3CC3(F)F)=C1)C2	REAL300008419090	0	42	-1.0	-57.61	347.71	10.19	-47.42
CC(C)CNC(=O)CCNC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419091	0	44	0.0	-55.20	346.47	1.32	-53.88
CC(C)CNC(=O)CCNC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419091	1	43	-1.0	-55.28	345.41	0.01	-55.27
CC(C)CNC(=O)CCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419092	0	47	-1.0	-66.52	375.28	5.72	-60.80
O=C([O-])C1(C(=O)NCC2CCCC3=CC=CN=C32)C[NH2+]CCO1	REAL300008419093	0	44	0.0	-50.82	333.10	5.34	-45.48
O=C([O-])C1(C(=O)NCC2CCCC3=CC=CN=C32)CNCCO1	REAL300008419093	1	43	-1.0	-56.67	334.23	3.95	-52.72
O=C([O-])C1CC12CCC(C(=O)NCC1CCCC3=CC=CN=C31)C2	REAL300008419094	0	47	-1.0	-53.11	363.98	9.68	-43.43
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1CS(=O)(=O)C12CC[NH2+]CC2	REAL300008419095	0	43	1.0	-129.45	330.73	-1.21	-130.66
[NH3+][C@@H](CC(=O)NC1CS(=O)(=O)C12CC[NH2+]CC2)C(=O)[O-]	REAL300008419096	0	40	1.0	-93.49	308.35	-1.82	-95.31
COC(=O)C12CC(CNC(=O)C3(C(=O)[O-])C[NH2+]CCO3)(C1)C2	REAL300008419097	0	42	0.0	-53.34	338.86	3.99	-49.35
COC(=O)C12CC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)C2	REAL300008419097	1	41	-1.0	-49.84	337.78	2.70	-47.14
COC(=O)C12CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(C1)C2	REAL300008419098	0	45	-1.0	-49.59	365.59	8.36	-41.23
O=C([O-])C1(C(=O)NCC(F)C2=CC=C(Br)C=C2)C[NH2+]CCO1	REAL300008419099	0	38	0.0	-54.18	332.43	5.13	-49.05
O=C([O-])C1(C(=O)NCC(F)C2=CC=C(Br)C=C2)CNCCO1	REAL300008419099	1	37	-1.0	-46.01	329.46	3.78	-42.23
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC(F)C1=CC=C(Br)C=C1	REAL300008419100	0	36	0.0	-63.70	325.32	4.59	-59.11
[NH3+][C@@H](CC(=O)NCC(F)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008419101	0	33	0.0	-33.34	302.86	3.98	-29.36
O=C([O-])C1CC12CCC(C(=O)NCC(F)C1=CC=C(Br)C=C1)C2	REAL300008419102	0	41	-1.0	-58.93	361.32	9.54	-49.39
COC(=O)C1=CC(F)=C(OC)C(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=C1	REAL300008419103	0	42	0.0	-52.14	350.79	3.76	-48.38
COC(=O)C1=CC(F)=C(OC)C(NC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL300008419103	1	41	-1.0	-50.21	347.73	2.41	-47.80
COC(=O)C1=CC(F)=C(OC)C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])=C1	REAL300008419104	0	40	0.0	-63.25	345.33	3.28	-59.97
COC(=O)C1=CC(F)=C(OC)C(NC(=O)C[C@H]([NH3+])C(=O)[O-])=C1	REAL300008419105	0	37	0.0	-34.47	322.94	2.66	-31.81
COC(=O)C1=CC(F)=C(OC)C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL300008419106	0	45	-1.0	-49.71	379.22	8.17	-41.54
O=C([O-])C1(C(=O)N2CCC(NC3=CC=CN=C3)CC2)C[NH2+]CCO1	REAL300008419107	0	46	0.0	-48.52	345.93	3.66	-44.86
O=C([O-])C1(C(=O)N2CCC(NC3=CC=CN=C3)CC2)CNCCO1	REAL300008419107	1	45	-1.0	-50.05	344.79	2.46	-47.59
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC(NC2=CC=CN=C2)CC1	REAL300008419108	0	44	0.0	-62.08	340.36	3.15	-58.93
O=C([O-])C1CC12CCC(C(=O)N1CCC(NC3=CC=CN=C3)CC1)C2	REAL300008419109	0	49	-1.0	-62.84	375.61	8.15	-54.69
O=C([O-])C1(C(=O)NC2CCN(C3=NC4=CC=CC=C4N3)CC2)C[NH2+]CCO1	REAL300008419110	0	50	0.0	-57.02	386.64	5.20	-51.82
O=C([O-])C1(C(=O)NC2CCN(C3=NC4=CC=CC=C4N3)CC2)CNCCO1	REAL300008419110	1	49	-1.0	-53.96	385.55	3.89	-50.07
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1CCN(C2=NC3=CC=CC=C3N2)CC1	REAL300008419111	0	48	0.0	-66.78	379.40	4.66	-62.12
[NH3+][C@@H](CC(=O)NC1CCN(C2=NC3=CC=CC=C3N2)CC1)C(=O)[O-]	REAL300008419112	0	45	0.0	-38.54	357.01	4.06	-34.48
O=C([O-])C1CC12CCC(C(=O)NC1CCN(C3=NC4=CC=CC=C4N3)CC1)C2	REAL300008419113	0	53	-1.0	-62.47	415.45	9.60	-52.87
CCCC1C2=CC=CC=C2CCN1C(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008419114	0	46	0.0	-60.60	336.08	6.90	-53.70
CCCC1C2=CC=CC=C2CCN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419115	0	51	-1.0	-55.72	372.77	11.87	-43.85
[NH3+][C@@H](CC(=O)N1CCC2=C(C1)C(=O)C(I)=CN2)C(=O)[O-]	REAL300008419116	0	34	0.0	-45.05	302.71	3.53	-41.52
O=C([O-])C1(C(=O)NCC2CC3(CC3(F)F)C2)C[NH2+]CCO1	REAL300008419117	0	39	0.0	-53.50	319.17	4.31	-49.19
O=C([O-])C1(C(=O)NCC2CC3(CC3(F)F)C2)CNCCO1	REAL300008419117	1	38	-1.0	-49.65	318.11	3.00	-46.65
O=C([O-])C1CC12CCC(C(=O)NCC1CC3(CC3(F)F)C1)C2	REAL300008419118	0	42	-1.0	-57.45	347.96	8.72	-48.73
O=C(CCCNC(=O)C1(C(=O)[O-])C[NH2+]CCO1)NC1CCC1	REAL300008419119	0	45	0.0	-56.44	354.47	2.04	-54.40
O=C(CCCNC(=O)C1(C(=O)[O-])CNCCO1)NC1CCC1	REAL300008419119	1	44	-1.0	-54.82	353.41	0.73	-54.09
O=C([O-])C1CC12CCC(C(=O)NCCCC(=O)NC1CCC1)C2	REAL300008419120	0	48	-1.0	-61.09	383.28	6.43	-54.66
O=C([O-])C1(C(=O)NCC2=CC=C(C3=CSC=C3)N=C2)C[NH2+]CCO1	REAL300008419121	0	41	0.0	-55.99	347.82	4.47	-51.52
O=C([O-])C1(C(=O)NCC2=CC=C(C3=CSC=C3)N=C2)CNCCO1	REAL300008419121	1	40	-1.0	-52.37	346.75	3.16	-49.21
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=CC=C(C2=CSC=C2)N=C1	REAL300008419122	0	39	0.0	-64.80	340.65	3.92	-60.88
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300008419123	0	36	0.0	-35.74	318.26	3.32	-32.42
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(C3=CSC=C3)N=C1)C2	REAL300008419124	0	44	-1.0	-57.77	376.65	8.87	-48.90
CCOC(=O)C12CC(CNC(=O)C3(C(=O)[O-])C[NH2+]CCO3)(C1)OC2(C)C	REAL300008419125	0	52	0.0	-57.05	400.28	3.86	-53.19
CCOC(=O)C12CC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)OC2(C)C	REAL300008419125	1	51	-1.0	-53.04	402.55	2.73	-50.31
CCOC(=O)C12CC(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])(C1)OC2(C)C	REAL300008419126	0	50	0.0	-63.54	396.43	3.49	-60.05
CCOC(=O)C12CC(CNC(=O)C[C@H]([NH3+])C(=O)[O-])(C1)OC2(C)C	REAL300008419127	0	47	0.0	-35.52	374.19	2.87	-32.65
CCOC(=O)C12CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(C1)OC2(C)C	REAL300008419128	0	55	-1.0	-49.15	426.77	8.21	-40.94
COC(=O)COCC1CCCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008419129	0	48	0.0	-58.03	368.14	5.07	-52.96
COC(=O)COCC1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008419129	1	47	-1.0	-59.27	367.47	3.72	-55.55
COC(=O)COCC1CCCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C1	REAL300008419130	0	46	0.0	-63.15	362.77	4.47	-58.68
COC(=O)COCC1CCCN(C(=O)C[C@H]([NH3+])C(=O)[O-])C1	REAL300008419131	0	43	0.0	-36.89	343.36	4.04	-32.85
COC(=O)COCC1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008419132	0	51	-1.0	-52.92	398.56	9.50	-43.42
O=C([O-])C1(C(=O)NCC2=CN=C3SC=CN23)C[NH2+]CCO1	REAL300008419133	0	35	0.0	-58.54	302.28	3.34	-55.20
O=C([O-])C1(C(=O)NCC2=CN=C3SC=CN23)CNCCO1	REAL300008419133	1	34	-1.0	-50.76	301.22	2.04	-48.72
O=C([O-])C1CC12CCC(C(=O)NCC1=CN=C3SC=CN13)C2	REAL300008419134	0	38	-1.0	-58.41	331.11	7.75	-50.66
O=C([O-])C1(C(=O)NCCNC2=CC=C(F)C=N2)C[NH2+]CCO1	REAL300008419135	0	39	0.0	-52.32	321.25	1.78	-50.54
O=C([O-])C1(C(=O)NCCNC2=CC=C(F)C=N2)CNCCO1	REAL300008419135	1	38	-1.0	-49.08	320.16	0.47	-48.61
O=C([O-])C1CC12CCC(C(=O)NCCNC1=CC=C(F)C=N1)C2	REAL300008419136	0	42	-1.0	-60.15	350.07	6.17	-53.98
CC1=NC2=CC=C(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C=C2N=C1C	REAL300008419137	0	42	0.0	-51.91	333.73	3.04	-48.87
CC1=NC2=CC=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C2N=C1C	REAL300008419137	1	41	-1.0	-52.02	332.61	1.76	-50.26
CC1=NC2=CC=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=C2N=C1C	REAL300008419138	0	40	0.0	-66.70	326.47	2.59	-64.11
CC1=NC2=CC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2N=C1C	REAL300008419139	0	45	-1.0	-61.04	362.79	7.52	-53.52
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])C[NH2+]CCO1)C2	REAL300008419140	0	48	1.0	-83.73	334.34	4.43	-79.30
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])C[NH2+]CCO1)C2	REAL300008419140	1	48	1.0	-83.34	333.40	4.37	-78.97
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])CNCCO1)C2	REAL300008419140	1	47	0.0	-67.13	334.47	3.03	-64.10
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C(=O)[O-])CNCCO1)C2	REAL300008419140	1	47	0.0	-71.06	329.36	3.46	-67.60
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL300008419141	0	51	0.0	-87.59	362.90	8.74	-78.85
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL300008419141	1	51	0.0	-70.90	359.53	8.76	-62.14
[NH3+]C1CCS(=O)(=O)C2(CC(CNC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C2)C1	REAL300008419142	0	51	1.0	-101.59	389.96	-0.77	-102.36
[NH3+]C1CCS(=O)(=O)C2(CC(CNC(=O)C3(C(=O)[O-])CNCCO3)C2)C1	REAL300008419142	1	50	0.0	-101.05	388.36	-2.23	-103.28
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1CC2(C1)CC([NH3+])CCS2(=O)=O	REAL300008419143	0	49	1.0	-124.75	382.80	-1.31	-126.06
[NH3+][C@@H](CC(=O)NCC1CC2(C1)CC([NH3+])CCS2(=O)=O)C(=O)[O-]	REAL300008419144	0	46	1.0	-101.42	360.01	-2.10	-103.52
CC(C)CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300008419145	0	48	0.0	-57.63	360.66	7.75	-49.88
CC(C)CN(C(=O)C[C@H]([NH3+])C(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300008419146	0	45	0.0	-30.17	341.02	7.34	-22.83
CC(C)CN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)C1=CC=CC=C1Cl	REAL300008419147	0	53	-1.0	-56.82	408.99	13.77	-43.05
CCOC(=O)C(CC(F)(F)F)NC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419148	0	40	0.0	-51.05	323.95	3.42	-47.63
CCOC(=O)C(CC(F)(F)F)NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419148	1	39	-1.0	-51.98	318.64	2.69	-49.29
CCOC(=O)C(CC(F)(F)F)NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008419149	0	38	0.0	-60.86	318.90	2.89	-57.97
CCOC(=O)C(CC(F)(F)F)NC(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008419150	0	35	0.0	-33.63	297.90	2.33	-31.30
CCOC(=O)C(CC(F)(F)F)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419151	0	43	-1.0	-59.51	353.04	7.83	-51.68
CCOC(=O)C(CC1CCOC1)NC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419152	0	48	0.0	-47.52	368.71	3.31	-44.21
CCOC(=O)C(CC1CCOC1)NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419152	1	47	-1.0	-51.35	371.75	2.19	-49.16
CCOC(=O)C(CC1CCOC1)NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008419153	0	46	0.0	-63.60	363.40	2.69	-60.91
CCOC(=O)C(CC1CCOC1)NC(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008419154	0	43	0.0	-33.38	334.45	1.98	-31.40
CCOC(=O)C(CC1CCOC1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419155	0	51	-1.0	-63.50	400.11	8.47	-55.03
CC(F)(F)C1=CC=CC(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=C1	REAL300008419156	0	41	0.0	-54.93	338.10	5.21	-49.72
CC(F)(F)C1=CC=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL300008419156	1	40	-1.0	-51.09	335.05	3.86	-47.23
CC(F)(F)C1=CC=CC(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])=C1	REAL300008419157	0	39	0.0	-63.11	330.92	4.66	-58.45
CC(F)(F)C1=CC=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL300008419158	0	44	-1.0	-49.90	365.20	9.59	-40.31
CC([NH3+])(CNC(=O)C1(C(=O)[O-])C[NH2+]CCO1)CN1C=CC=N1	REAL300008419159	0	44	1.0	-87.58	336.63	1.34	-86.24
CC([NH3+])(CNC(=O)C1(C(=O)[O-])CNCCO1)CN1C=CC=N1	REAL300008419159	1	43	0.0	-68.89	335.20	-0.17	-69.06
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC1	REAL300008419160	0	56	0.0	-56.38	409.97	6.05	-50.33
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL300008419160	1	55	-1.0	-59.17	407.08	4.64	-54.53
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC1	REAL300008419161	0	54	0.0	-63.40	404.25	5.51	-57.89
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)C[C@H]([NH3+])C(=O)[O-])CC1	REAL300008419162	0	51	0.0	-31.85	385.04	5.04	-26.81
COC(=O)C1(C2CCN(C(=O)C3(C(=O)[O-])C[NH2+]CCO3)CC2)CCOCC1	REAL300008419163	0	55	0.0	-50.63	381.97	5.07	-45.56
COC(=O)C1(C2CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)CCOCC1	REAL300008419163	1	54	-1.0	-60.51	380.13	3.89	-56.62
COC(=O)C1(C2CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC2)CCOCC1	REAL300008419164	0	53	0.0	-58.11	375.74	4.57	-53.54
COC(=O)C1(C2CCN(C(=O)C[C@H]([NH3+])C(=O)[O-])CC2)CCOCC1	REAL300008419165	0	50	0.0	-32.12	356.17	4.14	-27.98
COC(=O)C1(C2CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)CCOCC1	REAL300008419166	0	58	-1.0	-53.44	412.03	9.62	-43.82
CCCOC1=C2N=C(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)SC2=CC=C1	REAL300008419167	0	44	0.0	-54.36	363.42	5.05	-49.31
CCCOC1=C2N=C([N-]C(=O)C3(C(=O)[O-])C[NH2+]CCO3)SC2=CC=C1	REAL300008419167	1	43	-1.0	-93.17	360.84	3.93	-89.24
CCCOC1=C2N=C([N-]C(=O)[C@@H]([NH3+])CCC(=O)[O-])SC2=CC=C1	REAL300008419168	0	41	-1.0	-82.38	352.95	3.48	-78.90
CCCOC1=C2N=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])SC2=CC=C1	REAL300008419168	1	42	0.0	-68.21	356.24	4.58	-63.63
CCCOC1=C2N=C(NC(=O)C[C@H]([NH3+])C(=O)[O-])SC2=CC=C1	REAL300008419169	0	39	0.0	-37.85	334.01	3.96	-33.89
CCCOC1=C2N=C([N-]C(=O)C[C@H]([NH3+])C(=O)[O-])SC2=CC=C1	REAL300008419169	1	38	-1.0	-58.26	330.71	2.85	-55.41
CCCOC1=C2N=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)SC2=CC=C1	REAL300008419170	0	47	-1.0	-51.37	390.11	9.47	-41.90
CCCOC1=C2N=C([N-]C(=O)C3CCC4(CC4C(=O)[O-])C3)SC2=CC=C1	REAL300008419170	1	46	-2.0	-102.28	386.82	8.37	-93.91
C[C@H](NC(=O)C1(C(=O)[O-])C[NH2+]CCO1)C1=CC=C(F)C=C1OC(F)F	REAL300008419171	0	42	0.0	-54.17	345.86	4.28	-49.89
C[C@H](NC(=O)C1(C(=O)[O-])CNCCO1)C1=CC=C(F)C=C1OC(F)F	REAL300008419171	1	41	-1.0	-49.84	344.82	2.96	-46.88
C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C1=CC=C(F)C=C1OC(F)F	REAL300008419172	0	40	0.0	-66.67	338.67	3.73	-62.94
C[C@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C1=CC=C(F)C=C1OC(F)F	REAL300008419173	0	37	0.0	-37.06	316.28	3.13	-33.93
C[C@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=C(F)C=C1OC(F)F	REAL300008419174	0	45	-1.0	-55.08	372.55	8.65	-46.43
O=C([O-])C1(C(=O)NC2=CC(Cl)=C3OCOC3=C2)C[NH2+]CCO1	REAL300008419175	0	35	0.0	-50.29	301.71	2.67	-47.62
O=C([O-])C1(C(=O)NC2=CC(Cl)=C3OCOC3=C2)CNCCO1	REAL300008419175	1	34	-1.0	-49.54	300.71	1.35	-48.19
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CC(Cl)=C2OCOC2=C1	REAL300008419176	0	33	0.0	-65.84	294.45	2.21	-63.63
O=C([O-])C1CC12CCC(C(=O)NC1=CC(Cl)=C3OCOC3=C1)C2	REAL300008419177	0	38	-1.0	-50.99	328.88	7.11	-43.88
O=C([O-])C1CC12CCC(C(=O)NCCN1N=CC=CC1=O)C2	REAL300008419178	0	40	-1.0	-68.46	334.16	5.49	-62.97
CC1(C)OC2(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)CC1C2	REAL300008419179	0	46	-1.0	-47.73	353.27	6.95	-40.78
CC1(C)OC2=CC(Br)=C(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=C2O1	REAL300008419180	0	42	0.0	-60.92	364.08	4.03	-56.89
CC1(C)OC2=CC(Br)=C(CNC(=O)C[C@H]([NH3+])C(=O)[O-])C=C2O1	REAL300008419181	0	39	0.0	-33.20	341.72	3.40	-29.80
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008419182	0	59	0.0	-52.18	424.90	9.95	-42.23
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)C1(C(=O)[O-])CNCCO1	REAL300008419182	1	58	-1.0	-48.22	423.93	8.56	-39.66
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008419183	0	57	0.0	-59.58	422.04	9.30	-50.28
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008419184	0	54	0.0	-30.72	402.82	8.87	-21.85
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419185	0	62	-1.0	-58.78	461.06	14.35	-44.43
COC(=O)C1CC(C)CN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008419186	0	44	0.0	-48.08	333.77	4.82	-43.26
COC(=O)C1CC(C)CN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008419186	1	43	-1.0	-46.53	323.62	3.73	-42.80
COC(=O)C1CC(C)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008419187	0	47	-1.0	-47.18	363.59	9.30	-37.88
O=C([O-])C1(C(=O)N2CCC3(C2)CCC(F)(F)CC3)C[NH2+]CCO1	REAL300008419188	0	45	0.0	-52.27	328.16	5.75	-46.52
O=C([O-])C1(C(=O)N2CCC3(C2)CCC(F)(F)CC3)CNCCO1	REAL300008419188	1	44	-1.0	-52.57	327.56	4.47	-48.10
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC2(C1)CCC(F)(F)CC2	REAL300008419189	0	43	0.0	-60.52	324.61	5.14	-55.38
O=C([O-])C1CC12CCC(C(=O)N1CCC3(C1)CCC(F)(F)CC3)C2	REAL300008419190	0	48	-1.0	-47.60	361.52	10.12	-37.48
COC(=O)C1=CC=C(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)C=C1Br	REAL300008419191	0	38	0.0	-50.81	330.15	4.62	-46.19
COC(=O)C1=CC=C(NC(=O)C2(C(=O)[O-])CNCCO2)C=C1Br	REAL300008419191	1	37	-1.0	-46.59	328.82	3.32	-43.27
COC(=O)C1=CC=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=C1Br	REAL300008419192	0	36	0.0	-66.22	322.60	4.16	-62.06
COC(=O)C1=CC=C(NC(=O)C[C@H]([NH3+])C(=O)[O-])C=C1Br	REAL300008419193	0	33	0.0	-39.33	300.64	3.53	-35.80
COC(=O)C1=CC=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1Br	REAL300008419194	0	41	-1.0	-54.08	357.02	9.07	-45.01
O=C([O-])C1(C(=O)N2CCC(NC3=NC=CC=C3Cl)CC2)C[NH2+]CCO1	REAL300008419195	0	46	0.0	-50.56	363.55	5.52	-45.04
O=C([O-])C1(C(=O)N2CCC(NC3=NC=CC=C3Cl)CC2)CNCCO1	REAL300008419195	1	45	-1.0	-50.92	362.43	4.32	-46.60
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC(NC2=NC=CC=C2Cl)CC1	REAL300008419196	0	44	0.0	-61.36	357.78	5.02	-56.34
[NH3+][C@@H](CC(=O)N1CCC(NC2=NC=CC=C2Cl)CC1)C(=O)[O-]	REAL300008419197	0	41	0.0	-32.32	338.46	4.59	-27.73
O=C([O-])C1CC12CCC(C(=O)N1CCC(NC3=NC=CC=C3Cl)CC1)C2	REAL300008419198	0	49	-1.0	-58.85	395.18	10.05	-48.80
CC1=CC=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1C	REAL300008419199	0	44	-1.0	-56.66	352.14	9.30	-47.36
CC1(C)C(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)CCS1(=O)=O	REAL300008419200	0	44	0.0	-59.97	340.68	0.50	-59.47
CC1(C)C(CNC(=O)C2(C(=O)[O-])CNCCO2)CCS1(=O)=O	REAL300008419200	1	43	-1.0	-53.46	341.85	-0.69	-54.15
CC1(C)C(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])CCS1(=O)=O	REAL300008419201	0	42	0.0	-70.00	333.52	-0.03	-70.03
CC1(C)C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCS1(=O)=O	REAL300008419202	0	47	-1.0	-59.79	367.40	4.88	-54.91
O=C([O-])C1(C(=O)N2CCN3N=CC(Cl)=C3C2)C[NH2+]CCO1	REAL300008419203	0	36	0.0	-53.05	294.32	3.31	-49.74
O=C([O-])C1(C(=O)N2CCN3N=CC(Cl)=C3C2)CNCCO1	REAL300008419203	1	35	-1.0	-44.85	292.00	1.87	-42.98
O=C([O-])C1CC12CCC(C(=O)N1CCN3N=CC(Cl)=C3C1)C2	REAL300008419204	0	39	-1.0	-54.25	326.30	7.73	-46.52
O=C([O-])C1(C(=O)N2CCC3CCCCCC3C2)C[NH2+]CCO1	REAL300008419205	0	48	0.0	-50.73	334.30	6.53	-44.20
O=C([O-])C1(C(=O)N2CCC3CCCCCC3C2)CNCCO1	REAL300008419205	1	47	-1.0	-49.50	331.39	5.10	-44.40
O=C([O-])C1CC12CCC(C(=O)N1CCC3CCCCCC3C1)C2	REAL300008419206	0	51	-1.0	-45.97	363.49	10.93	-35.04
O=C([O-])C1(C(=O)NCCN2C=C(C3CCOC3)C=N2)C[NH2+]CCO1	REAL300008419207	0	46	0.0	-57.21	364.39	2.35	-54.86
O=C([O-])C1(C(=O)NCCN2C=C(C3CCOC3)C=N2)CNCCO1	REAL300008419207	1	45	-1.0	-51.88	363.31	1.05	-50.83
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCCN1C=C(C2CCOC2)C=N1	REAL300008419208	0	44	0.0	-68.12	357.20	1.80	-66.32
O=C([O-])C1CC12CCC(C(=O)NCCN1C=C(C3CCOC3)C=N1)C2	REAL300008419209	0	49	-1.0	-63.37	393.22	6.75	-56.62
CN(CC1CC(F)(F)C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419210	0	41	-1.0	-58.35	332.22	9.36	-48.99
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)CC[N@@H+]2C2CC2)=C1	REAL300008419211	0	56	1.0	-76.83	416.56	6.17	-70.66
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)CC[N@H+]2C2CC2)=C1	REAL300008419211	1	56	1.0	-75.63	421.72	6.75	-68.88
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)CCN2C2CC2)=C1	REAL300008419211	1	55	0.0	-55.62	423.38	4.97	-50.65
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300008419212	0	54	1.0	-100.42	409.34	5.63	-94.79
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300008419212	1	54	1.0	-102.48	414.86	6.22	-96.26
COC1=CC=CC([C@@H]2[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CCN2C2CC2)=C1	REAL300008419212	1	53	0.0	-63.44	416.18	4.45	-58.99
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300008419213	0	51	1.0	-72.09	389.12	5.04	-67.05
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300008419213	1	51	1.0	-73.13	395.39	5.75	-67.38
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])CCN2C2CC2)=C1	REAL300008419213	1	50	0.0	-33.70	391.23	3.66	-30.04
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC[N@@H+]2C2CC2)=C1	REAL300008419214	0	59	0.0	-78.62	445.27	10.53	-68.09
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC[N@H+]2C2CC2)=C1	REAL300008419214	1	59	0.0	-78.11	450.57	11.16	-66.95
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)CCN2C2CC2)=C1	REAL300008419214	1	58	-1.0	-58.88	442.48	8.95	-49.93
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC1	REAL300008419215	0	48	0.0	-57.19	364.32	6.47	-50.72
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL300008419215	1	47	-1.0	-56.51	361.12	5.13	-51.38
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC1	REAL300008419216	0	46	0.0	-66.42	358.68	5.88	-60.54
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL300008419217	0	51	-1.0	-57.19	394.56	10.88	-46.31
O=C([O-])C1CC12CCC(C(=O)N1CC3CCC(=O)NC3C1)C2	REAL300008419218	0	43	-1.0	-51.14	329.06	5.49	-45.65
COC(=O)C1=CC(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=CN=C1C	REAL300008419219	0	40	0.0	-51.86	325.27	2.87	-48.99
COC(=O)C1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CN=C1C	REAL300008419219	1	39	-1.0	-47.44	323.57	1.56	-45.88
COC(=O)C1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CN=C1C	REAL300008419220	0	43	-1.0	-51.43	352.32	7.32	-44.11
COC1=CC=C2C(=C1)N(C(=O)C1(C(=O)[O-])C[NH2+]CCO1)CC2C	REAL300008419221	0	43	0.0	-52.99	327.18	5.45	-47.54
COC1=CC=C2C(=C1)N(C(=O)C1(C(=O)[O-])CNCCO1)CC2C	REAL300008419221	1	42	-1.0	-57.22	326.87	4.25	-52.97
COC1=CC=C2C(=C1)N(C(=O)C1CCC3(CC3C(=O)[O-])C1)CC2C	REAL300008419222	0	46	-1.0	-60.12	361.05	9.97	-50.15
CCOC1=CC=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(OCC)=C1	REAL300008419223	0	44	0.0	-60.34	353.65	3.59	-56.75
CCOC1=CC=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C(OCC)=C1	REAL300008419224	0	49	-1.0	-47.98	387.52	8.48	-39.50
CCC(NC(=O)CNC(=O)C1(C(=O)[O-])C[NH2+]CCO1)C1=CC=CC=C1	REAL300008419225	0	48	0.0	-54.08	375.20	3.65	-50.43
CCC(NC(=O)CNC(=O)C1(C(=O)[O-])CNCCO1)C1=CC=CC=C1	REAL300008419225	1	47	-1.0	-52.77	374.14	2.33	-50.44
CCC(NC(=O)CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])C1=CC=CC=C1	REAL300008419226	0	46	0.0	-62.96	368.01	3.10	-59.86
CCC(NC(=O)CNC(=O)C[C@H]([NH3+])C(=O)[O-])C1=CC=CC=C1	REAL300008419227	0	43	0.0	-35.12	345.62	2.49	-32.63
CCC(NC(=O)CNC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CC=C1	REAL300008419228	0	51	-1.0	-57.15	404.04	8.05	-49.10
N#CC1CN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)CCC1(F)F	REAL300008419229	0	36	0.0	-49.13	288.70	3.99	-45.14
N#CC1CN(C(=O)C2(C(=O)[O-])CNCCO2)CCC1(F)F	REAL300008419229	1	35	-1.0	-41.67	288.09	2.64	-39.03
N#CC1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CCC1(F)F	REAL300008419230	0	39	-1.0	-48.89	319.15	8.43	-40.46
O=C([O-])C1(C(=O)N2CC[C@H]3CCNC(=O)[C@H]3C2)C[NH2+]CCO1	REAL300008419231	0	43	0.0	-60.66	299.78	2.89	-57.77
O=C([O-])C1(C(=O)N2CC[C@H]3CCNC(=O)[C@H]3C2)CNCCO1	REAL300008419231	1	42	-1.0	-55.16	305.04	0.51	-54.65
O=C([O-])C1CC12CCC(C(=O)N1CC[C@H]3CCNC(=O)[C@H]3C1)C2	REAL300008419232	0	46	-1.0	-56.98	339.30	6.39	-50.59
COC1=CC(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=CC=C1Cl	REAL300008419233	0	39	0.0	-52.85	330.42	3.54	-49.31
COC1=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1Cl	REAL300008419233	1	38	-1.0	-47.69	327.38	2.19	-45.50
COC1=CC(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])=CC=C1Cl	REAL300008419234	0	37	0.0	-62.93	323.25	2.99	-59.94
COC1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1Cl	REAL300008419235	0	42	-1.0	-56.93	359.26	7.94	-48.99
N#CC1=C(N)SC2=C1CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C2	REAL300008423001	0	37	0.0	-62.85	316.67	2.71	-60.14
N#CC1=C(N)SC2=C1CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL300008423002	0	42	-1.0	-53.10	350.97	7.60	-45.50
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=C(Br)C=CN12	REAL300008430001	0	38	-1.0	-56.87	352.50	5.45	-51.42
CN1C=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C21	REAL300008430002	0	41	-1.0	-68.67	353.61	6.01	-62.66
O=C([O-])COCCOCCNC(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300008430003	0	51	-1.0	-56.14	404.73	8.09	-48.05
O=C([O-])COCCOCCNC(=O)C12CCCCC1C2(F)F	REAL300008430004	0	42	-1.0	-53.56	346.76	5.35	-48.21
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C=NN1C1CCCC1	REAL300008430005	0	45	-1.0	-51.87	393.11	5.56	-46.31
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC=N2)=NN1	REAL300008430006	0	41	-1.0	-59.66	363.84	2.86	-56.80
CC1CC(=O)NC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2N1	REAL300008430007	0	48	-1.0	-58.69	398.99	2.57	-56.12
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC=N2)S1	REAL300008430008	0	41	-1.0	-58.01	373.01	5.55	-52.46
[NH3+]C1(C(=O)NCCOCCOCC(=O)[O-])CC2CCC(C2)C1	REAL300008430009	0	48	0.0	-97.36	350.01	3.04	-94.32
CC1(C)C2CCC1(C(=O)NCCOCCOCC(=O)[O-])C([NH3+])C2	REAL300008430010	0	51	0.0	-89.72	375.08	3.47	-86.25
O=C([O-])COCCOCCNC(=O)C1=NC2=CC=CNC2=C1	REAL300008430011	0	38	-1.0	-73.59	335.69	2.68	-70.91
CN1C=NC2=C1CCCC2C(=O)NCCOCCOCC(=O)[O-]	REAL300008430012	0	45	-1.0	-60.42	369.62	6.37	-54.05
COC1=C(Cl)C=C(C(=O)NCCOCCOCC(=O)[O-])C2=NC=CC=C21	REAL300008430013	0	44	-1.0	-61.00	393.71	5.39	-55.61
O=C([O-])COCCOCCNC(=O)C1=CC=CN2N=NC=C12	REAL300008430014	0	37	-1.0	-64.90	326.26	3.00	-61.90
C[NH+](C)CCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008430015	0	51	0.0	-82.47	413.87	6.22	-76.25
NC1=C(F)C=CC(C(=O)NCCOCCOCC(=O)[O-])=C1F	REAL300008430016	0	37	-1.0	-58.32	329.84	2.59	-55.73
CC(C)(C)C1CCC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N2)C1	REAL300008430017	0	57	-1.0	-62.68	439.91	6.19	-56.49
CP(C)(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430018	0	44	-1.0	-65.10	385.77	4.09	-61.01
O=C([O-])COCCOCCNC(=O)CC1=C(F)C=CC(F)=C1Br	REAL300008430019	0	38	-1.0	-56.27	359.45	5.77	-50.50
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300008430020	0	49	-1.0	-70.88	411.31	4.35	-66.53
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C(C)C(C)C	REAL300008430021	0	50	-1.0	-57.49	406.21	5.74	-51.75
CCCSC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430022	0	45	-1.0	-58.53	388.87	7.18	-51.35
COC1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008430023	0	38	-1.0	-55.99	347.66	1.89	-54.10
COC1=CC=C2C(=C1)CCCC2C(=O)NCCOCCOCC(=O)[O-]	REAL300008430024	0	49	-1.0	-57.77	397.02	6.28	-51.49
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300008430025	0	44	-1.0	-56.99	394.02	6.73	-50.26
CCCCSC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430026	0	48	-1.0	-58.50	410.37	7.96	-50.54
O=C([O-])COCCOCCNC(=O)C(O)C1=CC=C(Cl)C=C1Cl	REAL300008430027	0	39	-1.0	-54.59	361.99	4.38	-50.21
CC1=NC=NC2=C1CC(C(=O)NCCOCCOCC(=O)[O-])CC2	REAL300008430028	0	46	-1.0	-56.53	376.55	5.40	-51.13
O=C([O-])COCCOCCNC(=O)C1=NOC(COC2=CC=CC=C2)=C1	REAL300008430029	0	45	-1.0	-58.10	396.25	5.22	-52.88
CC(C)N(C)C(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL300008430030	0	47	-1.0	-56.79	385.72	3.99	-52.80
CC1C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C(=O)C1C	REAL300008430031	0	44	-1.0	-63.19	377.35	3.40	-59.79
O=C([O-])COCCOCCNC(=O)C1=COC2=CC=C(Br)C=C12	REAL300008430032	0	38	-1.0	-60.19	355.71	5.48	-54.71
O=C([O-])COCCOCCNC(=O)C1CCC(OC(F)(F)F)CC1	REAL300008430033	0	45	-1.0	-56.77	377.85	4.40	-52.37
O=C([O-])COCCOCCNC(=O)CC1=CSC(Cl)=C1	REAL300008430034	0	35	-1.0	-56.37	337.38	4.75	-51.62
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430035	0	44	-1.0	-53.74	399.09	7.45	-46.29
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=C(Br)C=C2O1	REAL300008430036	0	38	-1.0	-54.05	358.22	5.51	-48.54
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2CCC[NH2+]C2)=N1	REAL300008430037	0	50	0.0	-84.77	413.96	3.84	-80.93
CC(CC(=O)NCCOCCOCC(=O)[O-])CC(F)(F)F	REAL300008430038	0	40	-1.0	-57.20	343.02	4.56	-52.64
O=C([O-])COCCOCCNC(=O)CC1CCC2(CCCC2)CC1	REAL300008430039	0	54	-1.0	-54.80	408.12	7.60	-47.20
CC([NH3+])CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL300008430040	0	44	0.0	-81.02	367.68	1.61	-79.41
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C2=C1CC[NH2+]C2	REAL300008430041	0	45	0.0	-78.59	366.50	4.62	-73.97
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C2=C1CCNC2	REAL300008430041	1	44	-1.0	-54.71	363.44	3.25	-51.46
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430042	0	43	0.0	-78.61	383.35	2.13	-76.48
NC(CC1=CN=CC(Br)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430042	1	42	-1.0	-54.95	382.64	1.83	-53.12
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(C)=C1C[NH3+]	REAL300008430043	0	47	0.0	-92.94	379.61	3.61	-89.33
C[NH2+]CC1=C(C)C=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL300008430044	0	50	0.0	-86.82	402.22	5.45	-81.37
CC1COC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C21	REAL300008430045	0	43	-1.0	-62.16	361.49	5.91	-56.25
COC1C[NH2+]CC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430046	0	45	0.0	-84.07	362.23	1.35	-82.72
O=C([O-])COCCOCCNC(=O)C1=CN=C2CCOCC2=C1	REAL300008430047	0	42	-1.0	-56.77	354.68	2.78	-53.99
[NH3+]CC1CC(CC(=O)NCCOCCOCC(=O)[O-])CO1	REAL300008430048	0	45	0.0	-83.33	364.26	0.47	-82.86
[NH3+]CC(CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430049	0	47	0.0	-85.65	380.91	3.89	-81.76
O=C([O-])COCCOCCNC(=O)C1COC2(C1)CC[NH2+]CC2	REAL300008430050	0	49	0.0	-77.98	384.00	2.52	-75.46
O=C([O-])COCCOCCNC(=O)CC1CC[NH2+]CCC1(F)F	REAL300008430051	0	47	0.0	-76.68	366.30	3.60	-73.08
O=C([O-])COCCOCCNC(=O)CC1COCC2=CC=CC=C21	REAL300008430052	0	46	-1.0	-56.88	375.70	5.05	-51.83
CC1=NN=C2CC(C(=O)NCCOCCOCC(=O)[O-])CN12	REAL300008430053	0	41	-1.0	-59.40	349.19	4.61	-54.79
O=C([O-])COCCOCCNC(=O)CC1CCCCCC1(F)F	REAL300008430054	0	47	-1.0	-54.03	368.26	5.88	-48.15
C[NH2+]CC1=CC=CC(OCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430055	0	48	0.0	-83.54	401.83	4.99	-78.55
O=C([O-])COCCOCCNC(=O)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1	REAL300008430056	0	45	0.0	-76.80	354.62	3.19	-73.61
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300008430057	0	47	-1.0	-64.34	402.34	7.77	-56.57
CC1(C)C(C[NH3+])CC(C(=O)NCCOCCOCC(=O)[O-])S1(=O)=O	REAL300008430058	0	50	0.0	-113.52	402.79	0.40	-113.12
NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=NS1	REAL300008430059	0	36	-1.0	-58.84	329.64	0.02	-58.82
COC1=CC=C(C)C2=C1CC(C(=O)NCCOCCOCC(=O)[O-])N2	REAL300008430060	0	48	-1.0	-56.87	398.15	3.48	-53.39
CC12CC(CC(=O)NCCOCCOCC(=O)[O-])(C1)CO2	REAL300008430061	0	43	-1.0	-57.68	352.94	3.41	-54.27
CC1CC(C(=O)NCCOCCOCC(=O)[O-])CCS1(=O)=O	REAL300008430062	0	44	-1.0	-64.62	370.41	1.54	-63.08
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL300008430063	0	48	-1.0	-54.74	366.96	6.16	-48.58
CC(C1CC1)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL300008430064	0	49	-1.0	-58.70	399.52	5.21	-53.49
O=C([O-])COCCOCCNC(=O)C1(C2CCC2)CC[NH2+]C1	REAL300008430065	0	48	0.0	-70.61	367.84	4.25	-66.36
[NH3+]C(C(=O)NCCOCCOCC(=O)[O-])C1(C(F)(F)F)CCC1	REAL300008430066	0	44	0.0	-75.50	357.13	2.46	-73.04
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300008430067	0	49	-1.0	-54.99	393.72	8.08	-46.91
CCC1=CN2CC(C(=O)NCCOCCOCC(=O)[O-])CCC2=N1	REAL300008430068	0	48	-1.0	-57.77	393.77	6.00	-51.77
O=C([O-])COCCOCCNC(=O)CCC12CCC(CC1)C2	REAL300008430069	0	48	-1.0	-54.62	376.01	6.42	-48.20
O=C([O-])COCCOCCNC(=O)CC12CC(C1)C(=O)NC2	REAL300008430070	0	43	-1.0	-60.25	353.38	1.70	-58.55
NC1=C(C(=O)NCCOCCOCC(=O)[O-])C2=NC=CC=C2S1	REAL300008430071	0	39	-1.0	-59.46	355.55	1.86	-57.60
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC[NH2+]C1	REAL300008430072	0	45	0.0	-72.83	360.64	3.22	-69.61
CCC1(C(=O)NCCOCCOCC(=O)[O-])CCC[NH2+]C1	REAL300008430073	0	47	0.0	-71.84	359.13	3.43	-68.41
O=C([O-])COCCOCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C1=CC=CC=C1	REAL300008430074	0	48	0.0	-87.06	388.95	5.06	-82.00
O=C([O-])COCCOCCNC(=O)C1(C2CCC[NH2+]2)CC1	REAL300008430075	0	45	0.0	-77.32	356.46	4.17	-73.15
O=C([O-])COCCOCCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)N1	REAL300008430076	0	40	-1.0	-59.29	350.23	1.56	-57.73
O=C([O-])COCCOCCNC(=O)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300008430077	0	48	-1.0	-58.08	408.52	8.98	-49.10
O=C([O-])COCCOCCNC(=O)C1=CN=CC(N2C=CN=C2)=N1	REAL300008430078	0	40	-1.0	-57.40	356.03	4.42	-52.98
CC1(C)CC2=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C2O1	REAL300008430079	0	49	-1.0	-60.71	407.68	6.43	-54.28
CC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C#N	REAL300008430080	0	38	-1.0	-55.79	340.92	3.61	-52.18
CN1C=NC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C1=O	REAL300008430081	0	43	-1.0	-67.38	371.86	5.20	-62.18
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1CC[NH2+]C1	REAL300008430082	0	47	0.0	-80.81	361.15	3.14	-77.67
[NH3+]C(C(=O)NCCOCCOCC(=O)[O-])C1CC=CCC1	REAL300008430083	0	45	0.0	-74.81	357.33	2.77	-72.04
[NH3+]C1(C(=O)NCCOCCOCC(=O)[O-])CCSCC1	REAL300008430084	0	42	0.0	-77.96	339.90	1.94	-76.02
O=C([O-])COCCOCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1	REAL300008430085	0	48	0.0	-90.76	395.46	5.13	-85.63
CC1(C(=O)NCCOCCOCC(=O)[O-])CC2=CC=CC=C2N1	REAL300008430086	0	44	-1.0	-56.59	366.10	4.43	-52.16
O=C([O-])COCCOCCNC(=O)[C@@]12CCCC[C@H]1[NH2+]CCC2	REAL300008430087	0	51	0.0	-64.81	377.22	4.66	-60.15
[NH3+][C@@H](CC1=CN=CN1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430088	0	41	0.0	-77.39	346.56	0.76	-76.63
[NH3+][C@@H](CC1=CNC=N1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430088	1	41	0.0	-72.11	348.46	0.79	-71.32
NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1F	REAL300008430089	0	37	-1.0	-61.10	324.42	2.50	-58.60
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430090	0	53	0.0	-83.39	445.03	5.10	-78.29
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430091	0	47	0.0	-73.40	392.25	3.78	-69.62
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(CC[NH3+])=N1	REAL300008430092	0	43	0.0	-91.40	372.77	1.13	-90.27
O=C([O-])COCCOCCNC(=O)C1CC2(C1)CC[NH2+]C2	REAL300008430093	0	45	0.0	-83.85	360.91	3.43	-80.42
O=C([O-])COCCOCCNC(=O)CC1C[NH2+]C2(C1)CCOCC2	REAL300008430094	0	52	0.0	-75.90	400.75	3.12	-72.78
O=C([O-])COCCOCCNC(=O)[C@@]12CCC[C@@H]1[NH2+]CCC2	REAL300008430095	0	48	0.0	-76.99	364.76	4.12	-72.87
O=C([O-])COCCOCCNC(=O)C1(C(F)(F)F)CCC[NH2+]C1	REAL300008430096	0	44	0.0	-66.63	356.02	3.43	-63.20
O=C([O-])COCCOCCNC(=O)CCCOC1=CC=CC([N+](=O)[O-])=C1	REAL300008430097	0	47	-1.0	-63.84	409.93	6.26	-57.58
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(C#N)C=C1	REAL300008430098	0	42	-1.0	-57.81	367.08	6.13	-51.68
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300008430099	0	35	-1.0	-52.67	344.46	5.58	-47.09
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430100	0	49	-1.0	-67.50	414.31	5.67	-61.83
[NH3+]C1CCN(C2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=N2)CC1	REAL300008430101	0	52	0.0	-89.42	415.72	2.45	-86.97
O=C([O-])COCCOCCNC(=O)COCC1CC[NH2+]CC1	REAL300008430102	0	48	0.0	-84.05	386.52	3.51	-80.54
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430103	0	43	0.0	-79.85	383.49	1.97	-77.88
NC(CC1=CC=C(Br)N=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430103	1	42	-1.0	-54.78	382.78	1.74	-53.04
O=C([O-])COCCOCCNC(=O)CCC1CC2=CC=CC=C2C[NH2+]1	REAL300008430104	0	51	0.0	-85.19	408.88	6.16	-79.03
CC1=CC=C(CC(C[NH3+])C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008430105	0	50	0.0	-100.25	406.35	4.50	-95.75
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430106	0	47	0.0	-75.71	393.45	3.69	-72.02
NC(CC1=COC2=CC=CC=C12)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430106	1	46	-1.0	-58.31	393.01	3.34	-54.97
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCOCCOCC(=O)[O-]	REAL300008430107	0	43	0.0	-92.01	371.43	-2.14	-94.15
CS(=O)(=O)CC[C@@H](N)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430107	1	42	-1.0	-66.80	368.34	-2.48	-69.28
O=C([O-])COCCOCCNC(=O)C1(CC2=CC=CC=C2)CC[NH2+]CC1	REAL300008430108	0	54	0.0	-73.56	417.94	6.17	-67.39
O=C([O-])COCCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]1CC(F)(F)F	REAL300008430109	0	44	0.0	-77.01	367.93	3.16	-73.85
CC1CCC(OCCCC(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430110	0	54	-1.0	-57.32	428.03	6.43	-50.89
CCC1(C)CCC(C(=O)NCCOCCOCC(=O)[O-])O1	REAL300008430111	0	45	-1.0	-58.59	364.95	4.84	-53.75
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008430112	0	49	-1.0	-59.91	414.20	5.67	-54.24
O=C([O-])COCCOCCNC(=O)CC1CC2=CC=CC=C2NC1=O	REAL300008430113	0	46	-1.0	-65.96	383.83	5.49	-60.47
CC1(C)C(=O)NC2CCC(C(=O)NCCOCCOCC(=O)[O-])CC21	REAL300008430114	0	52	-1.0	-58.35	408.00	2.98	-55.37
[NH3+]CCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL300008430115	0	40	0.0	-92.61	347.30	0.77	-91.84
O=C([O-])COCCOCCNC(=O)C1=CC=C2SN=CC2=C1	REAL300008430116	0	37	-1.0	-56.26	337.32	4.71	-51.55
CN(CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300008430117	0	53	-1.0	-58.50	433.93	8.71	-49.79
O=C([O-])COCCOCCNC(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300008430118	0	42	-1.0	-58.20	365.68	1.14	-57.06
O=C([O-])COCCOCCNC(=O)C1CC2(CCC2)CO1	REAL300008430119	0	43	-1.0	-58.70	353.67	4.55	-54.15
COC1=CC([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])=C(OC)C=C1C	REAL300008430120	0	53	-1.0	-58.99	436.19	5.93	-53.06
O=C([O-])COCCOCCNC(=O)CC1CCCCC1(F)F	REAL300008430121	0	44	-1.0	-53.54	360.18	5.52	-48.02
O=C([O-])COCCOCCNC(=O)CC12CCCCC1[NH2+]CCC2	REAL300008430122	0	54	0.0	-78.75	390.86	5.02	-73.73
[NH3+][C@H](CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CN=C1	REAL300008430123	0	43	0.0	-71.84	358.45	1.66	-70.18
CN1N=CC=C1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008430124	0	45	-1.0	-58.91	381.00	5.50	-53.41
O=C([O-])COCCOCCNC(=O)C1CC2(CC(F)C2)C1	REAL300008430125	0	42	-1.0	-55.14	352.54	5.43	-49.71
O=C([O-])COCCOCCNC(=O)C12CCC(C1)S(=O)(=O)CC2	REAL300008430126	0	45	-1.0	-63.22	365.70	1.62	-61.60
O=C([O-])COCCOCCNC(=O)C1CCCC2=NC=CC=C21	REAL300008430127	0	44	-1.0	-57.06	362.66	5.20	-51.86
CN1C=C(SCC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL300008430128	0	39	-1.0	-59.49	354.06	3.49	-56.00
CC1(C)C[NH2+]CCC1CC(=O)NCCOCCOCC(=O)[O-]	REAL300008430129	0	50	0.0	-78.27	375.61	3.87	-74.40
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NCCOCCOCC(=O)[O-]	REAL300008430130	0	45	0.0	-94.80	366.81	3.72	-91.08
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430131	0	43	-1.0	-56.12	388.79	5.32	-50.80
O=C([O-])COCCOCCNC(=O)CCC1=C(F)C=CC=C1Cl	REAL300008430132	0	41	-1.0	-57.42	371.11	6.45	-50.97
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC(Cl)=CC=C21	REAL300008430133	0	42	-1.0	-64.00	377.10	6.72	-57.28
O=C([O-])COCCOCCNC(=O)C1=CC=C(CCF)C=C1	REAL300008430134	0	41	-1.0	-56.89	355.21	6.10	-50.79
O=C([O-])COCCOCCNC(=O)C1CC2=CSC=C2C1	REAL300008430135	0	39	-1.0	-55.17	342.83	5.19	-49.98
CC1=CN2C=C(C(=O)NCCOCCOCC(=O)[O-])C=CC2=N1	REAL300008430136	0	41	-1.0	-57.86	353.96	5.68	-52.18
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2CCNS2(=O)=O)C=C1	REAL300008430137	0	46	-1.0	-67.58	398.15	0.62	-66.96
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=C2C=CNC2=N1	REAL300008430138	0	40	-1.0	-59.68	349.15	3.61	-56.07
NC(=O)C1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430139	0	39	-1.0	-64.22	344.75	1.40	-62.82
O=C([O-])COCCOCCNC(=O)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300008430140	0	43	0.0	-66.12	341.83	0.78	-65.34
O=C([O-])COCCOCCNC(=O)C[C@@H]1CC2=CC=CC=C2N1	REAL300008430141	0	44	-1.0	-57.02	367.44	4.59	-52.43
NC1=C2C=CN(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL300008430142	0	44	-1.0	-62.48	378.35	4.54	-57.94
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1C[NH3+]	REAL300008430143	0	45	0.0	-88.11	374.60	1.90	-86.21
O=C([O-])COCCOCCNC(=O)C1=CC2=CN=NN2C=C1	REAL300008430144	0	37	-1.0	-59.10	327.14	3.10	-56.00
CCC1=CC=CC(CC)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL300008430145	0	50	-1.0	-55.90	398.70	7.47	-48.43
CC1(C)CCCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430146	0	50	-1.0	-54.27	372.04	6.05	-48.22
O=C([O-])COCCOCCNC(=O)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL300008430147	0	56	-1.0	-56.24	461.13	8.33	-47.91
CC(C)[C@H]1CC[C@@H](C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430148	0	50	-1.0	-54.55	380.87	6.35	-48.20
CC(C)N1C=C(C2CC2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL300008430149	0	48	-1.0	-57.74	402.95	5.74	-52.00
CN1C=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2C1=O	REAL300008430150	0	43	-1.0	-63.02	371.87	5.22	-57.80
O=C([O-])COCCOCCNC(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008430151	0	42	-1.0	-61.38	370.00	5.08	-56.30
CC1CC(=O)NCC1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430152	0	42	-1.0	-57.34	347.68	1.29	-56.05
CCN1N=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1Br	REAL300008430153	0	38	-1.0	-56.38	368.41	4.12	-52.26
NC(=O)C1=CC(F)=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430154	0	39	-1.0	-61.94	346.63	1.38	-60.56
CN1N=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008430155	0	34	-1.0	-56.16	325.63	1.14	-55.02
CC1(C)C(C)(C)C1(F)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430156	0	44	-1.0	-56.71	355.32	5.36	-51.35
CC1(C)C[NH2+]CC(C(=O)NCCOCCOCC(=O)[O-])O1	REAL300008430157	0	45	0.0	-83.27	357.65	2.45	-80.82
O=C([O-])COCCOCCNC(=O)C1(C(F)F)CC[NH2+]CC1	REAL300008430158	0	44	0.0	-69.84	352.95	2.94	-66.90
O=C([O-])COCCOCCNC(=O)C1C[NH2+]CC2=NC=CN2C1	REAL300008430159	0	45	0.0	-79.03	364.65	2.92	-76.11
O=C([O-])COCCOCCNC(=O)C1CNCC2=NC=CN2C1	REAL300008430159	1	44	-1.0	-54.59	361.38	1.64	-52.95
[NH3+]C1CCCC2C(C(=O)NCCOCCOCC(=O)[O-])C21	REAL300008430160	0	45	0.0	-79.66	346.92	2.89	-76.77
O=C([O-])COCCOCCNC(=O)CC1=CC=CC(OCC2CC2)=C1	REAL300008430161	0	49	-1.0	-57.62	413.39	7.00	-50.62
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300008430162	0	43	-1.0	-57.25	376.77	7.34	-49.91
O=C([O-])COCCOCCNC(=O)C1CCOC2(CCCCC2)C1	REAL300008430163	0	52	-1.0	-56.49	397.02	5.52	-50.97
CC1(C)CC(CC(=O)NCCOCCOCC(=O)[O-])CO1	REAL300008430164	0	45	-1.0	-56.69	366.12	3.75	-52.94
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300008430165	0	47	-1.0	-57.86	388.17	7.85	-50.01
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COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(F)=C1F	REAL300008430167	0	39	-1.0	-54.51	347.70	3.96	-50.55
COC1=CC2=CC=CN=C2C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430168	0	44	-1.0	-64.24	374.22	4.63	-59.61
O=C([O-])COCCOCCNC(=O)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300008430169	0	37	-1.0	-53.74	354.11	4.39	-49.35
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O=C([O-])COCCOCCNC(=O)CC1CCC(=O)NC1=O	REAL300008430171	0	41	-1.0	-62.99	347.11	2.16	-60.83
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O=C([O-])COCCOCCNC(=O)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1	REAL300008430173	0	45	-1.0	-58.59	408.12	7.22	-51.37
CC(C)(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=N1	REAL300008430174	0	46	-1.0	-58.92	392.60	5.78	-53.14
CN1C(=O)NC2(CCC(C(=O)NCCOCCOCC(=O)[O-])CC2)C1=O	REAL300008430175	0	50	-1.0	-65.69	402.89	2.20	-63.49
COC1(C#N)CC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430176	0	40	-1.0	-56.34	348.19	2.52	-53.82
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C2=NNC=C2)=C1	REAL300008430177	0	42	-1.0	-65.54	364.62	4.56	-60.98
CC1=CC=CC2=C(C(=O)NCCOCCOCC(=O)[O-])NN=C21	REAL300008430178	0	41	-1.0	-58.07	354.22	3.85	-54.22
O=C([O-])COCCOCCNC(=O)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300008430179	0	40	-1.0	-62.84	374.51	3.93	-58.91
O=C([O-])COCCOCCNC(=O)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300008430180	0	50	0.0	-82.82	415.95	3.92	-78.90
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(CC2CC[NH2+]C2)=N1	REAL300008430181	0	50	0.0	-79.41	417.50	3.93	-75.48
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430182	0	47	0.0	-81.95	395.64	1.89	-80.06
NC(CC1=C2C=CC=CC2=NN1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430182	1	46	-1.0	-57.30	391.59	1.68	-55.62
O=C([O-])COCCOCCNC(=O)[C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O	REAL300008430183	0	43	0.0	-73.31	345.71	-0.55	-73.86
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CC1CCCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430186	0	47	-1.0	-54.27	362.19	5.84	-48.43
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1Cl	REAL300008430187	0	41	-1.0	-56.17	359.96	6.17	-50.00
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CC(C(=O)NCCOCCOCC(=O)[O-])N1C=CC(C2CC2)=N1	REAL300008430190	0	45	-1.0	-59.08	380.79	5.19	-53.89
O=C([O-])COCCOCCNC(=O)C1=NC2=NC=CN2C=C1	REAL300008430191	0	37	-1.0	-62.12	329.52	5.71	-56.41
O=C([O-])COCCOCCNC(=O)C1CCC2(CC1)NC(=O)NC2=O	REAL300008430192	0	47	-1.0	-61.75	381.65	-0.14	-61.89
O=C([O-])COCCOCCNC(=O)C1=C(I)C=CS1	REAL300008430193	0	32	-1.0	-55.13	321.25	4.61	-50.52
CCCN1C=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008430194	0	41	-1.0	-59.37	369.29	4.43	-54.94
CC(C)(C)C1CCNC2=C(C(=O)NCCOCCOCC(=O)[O-])C=NN21	REAL300008430195	0	53	-1.0	-59.39	415.26	4.87	-54.52
CNC1=C(C(=O)NCCOCCOCC(=O)[O-])SC2=NC=CN=C21	REAL300008430196	0	41	-1.0	-60.01	367.31	1.29	-58.72
CC1=NN=C2SC(C(=O)NCCOCCOCC(=O)[O-])=C(N)C2=C1C	REAL300008430197	0	44	-1.0	-59.11	377.20	2.49	-56.62
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=C(C)C=C2)=NO1	REAL300008430198	0	47	-1.0	-55.90	406.91	7.15	-48.75
CCN1N=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008430199	0	37	-1.0	-55.69	347.44	1.98	-53.71
CC1=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=NN1	REAL300008430200	0	35	-1.0	-58.36	325.14	2.04	-56.32
CC1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL300008430200	1	35	-1.0	-55.53	324.38	2.09	-53.44
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(Cl)N=C1C	REAL300008430201	0	40	-1.0	-59.27	352.01	4.35	-54.92
O=C([O-])COCCOCCNC(=O)C1(C2=NC=CC=C2F)CC1	REAL300008430202	0	41	-1.0	-58.05	362.90	4.71	-53.34
O=C([O-])COCCOCCNC(=O)C(C1=CC=C(F)C=C1)C1CC1	REAL300008430203	0	45	-1.0	-56.64	380.67	7.48	-49.16
CC12CC(C(=O)NCCOCCOCC(=O)[O-])(C1)CCO2	REAL300008430204	0	43	-1.0	-54.94	347.60	3.32	-51.62
CC1=CC=CC=C1C1=CC(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL300008430205	0	44	-1.0	-55.54	384.58	6.18	-49.36
O=C([O-])COCCOCCNC(=O)C1=NOC(C2=CC=C3OCOC3=C2)=C1	REAL300008430206	0	44	-1.0	-56.99	390.40	4.21	-52.78
O=C([O-])COCCOCCNC(=O)C1=CC(C2CCC2)=NO1	REAL300008430207	0	41	-1.0	-53.40	352.01	4.50	-48.90
CC(C)C1=NOC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430208	0	42	-1.0	-63.53	356.57	4.27	-59.26
CC1=CC(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL300008430209	0	38	-1.0	-52.90	352.78	5.08	-47.82
O=C([O-])COCCOCCNC(=O)C1=CN(CC(F)F)N=C1	REAL300008430210	0	38	-1.0	-58.91	344.11	3.46	-55.45
CC1=NN(CC(F)(F)F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430211	0	41	-1.0	-55.95	367.91	4.15	-51.80
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C(Cl)N=C1Cl	REAL300008430212	0	37	-1.0	-52.65	348.04	4.20	-48.45
CC1=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C(N2C=NN=N2)S1	REAL300008430213	0	43	-1.0	-63.21	387.98	5.01	-58.20
CC12CC3(C)CC(F)(C1)CC(C(=O)NCCOCCOCC(=O)[O-])(C2)C3	REAL300008430214	0	55	-1.0	-53.82	417.01	7.47	-46.35
CN1C=C(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL300008430215	0	38	-1.0	-55.03	344.42	3.11	-51.92
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL300008430216	0	41	-1.0	-60.39	373.51	5.88	-54.51
CC(C)[N@@H+]1CCC(C(=O)NCCOCCOCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300008430217	0	60	0.0	-78.91	455.83	6.68	-72.23
CC(C)[N@H+]1CCC(C(=O)NCCOCCOCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300008430217	1	60	0.0	-78.58	448.64	6.19	-72.39
CC1(C(=O)NCCOCCOCC(=O)[O-])CCCCNC1=O	REAL300008430218	0	45	-1.0	-55.54	350.86	2.36	-53.18
COC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(C(F)(F)F)=N1	REAL300008430219	0	40	-1.0	-57.94	359.87	0.42	-57.52
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2CCOCC2)C=C1	REAL300008430220	0	51	-1.0	-57.60	414.57	3.61	-53.99
O=C([O-])COCCOCCNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300008430221	0	57	0.0	-71.90	445.63	8.87	-63.03
CC1CN(CC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)CCO1	REAL300008430222	0	54	-1.0	-57.37	434.86	4.16	-53.21
CC1C[N@H+](CC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)CCO1	REAL300008430222	1	55	0.0	-84.41	431.43	6.60	-77.81
CC1C[N@@H+](CC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)CCO1	REAL300008430222	1	55	0.0	-84.55	431.49	6.60	-77.95
CCNC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430223	0	50	-1.0	-59.60	402.43	3.34	-56.26
COC1=CC([C@@H](C)CC(=O)NCCOCCOCC(=O)[O-])=CC=C1C	REAL300008430224	0	51	-1.0	-56.46	414.76	6.47	-49.99
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430225	0	51	-1.0	-56.05	417.42	6.10	-49.95
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL300008430226	0	51	-1.0	-56.89	421.11	6.81	-50.08
O=C([O-])COCCOCCNC(=O)C1=CC=C2N=CNC2=N1	REAL300008430227	0	37	-1.0	-59.75	328.51	3.47	-56.28
O=C([O-])COCCOCCNC(=O)C1=CC=C2N=CN=C2N1	REAL300008430227	1	37	-1.0	-60.75	326.13	3.49	-57.26
O=C([O-])COCCOCCNC(=O)C1CC2CCCCCCC21	REAL300008430228	0	51	-1.0	-55.53	382.48	6.72	-48.81
[NH3+]CCCCC(CC(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430229	0	49	0.0	-92.80	399.47	3.31	-89.49
O=C([O-])COCCOCCNC(=O)C1CCCC2(CCC2)C1	REAL300008430230	0	48	-1.0	-54.97	375.39	6.43	-48.54
CC1CC(C(=O)NCCOCCOCC(=O)[O-])CCS1	REAL300008430231	0	42	-1.0	-54.48	351.84	5.20	-49.28
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300008430232	0	49	-1.0	-58.72	418.73	7.76	-50.96
O=C([O-])COCCOCCNC(=O)C1=NN2CC3(CC3)CC2=C1	REAL300008430233	0	43	-1.0	-59.46	367.10	4.46	-55.00
O=C([O-])COCCOCCNC(=O)C1(C2=CC=NC=C2)CC1	REAL300008430234	0	41	-1.0	-58.45	351.67	4.48	-53.97
CC(C)(C(=O)NCCOCCOCC(=O)[O-])N1C=CC(C2CC2)=N1	REAL300008430235	0	48	-1.0	-64.06	396.76	5.94	-58.12
O=C([O-])COCCOCCNC(=O)C1C[NH2+]C2(C1)CCOCC2	REAL300008430236	0	49	0.0	-82.87	380.92	2.40	-80.47
CC1(C)COC(C(=O)NCCOCCOCC(=O)[O-])C[NH2+]1	REAL300008430237	0	45	0.0	-84.89	359.05	2.35	-82.54
CC1(C)COC(C(=O)NCCOCCOCC(=O)[O-])CN1	REAL300008430237	1	44	-1.0	-58.64	356.42	1.15	-57.49
[NH3+]C1CC2(C1)CC1(CC(C(=O)NCCOCCOCC(=O)[O-])C1)C2	REAL300008430238	0	52	0.0	-91.44	413.85	4.46	-86.98
CCCCC[C@@H](O)CC(=O)NCCOCCOCC(=O)[O-]	REAL300008430239	0	47	-1.0	-58.17	387.01	3.70	-54.47
O=C([O-])COCCOCCNC(=O)CC1CCS(=O)(=O)CC1	REAL300008430240	0	44	-1.0	-61.15	368.85	1.48	-59.67
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430241	0	41	-1.0	-58.49	366.26	4.59	-53.90
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N2C=CC=CC2=N1	REAL300008430242	0	41	-1.0	-58.44	357.57	5.35	-53.09
COC12CCC(C(=O)NCCOCCOCC(=O)[O-])(CC1)C2	REAL300008430243	0	46	-1.0	-56.89	370.15	3.80	-53.09
O=C([O-])COCCOCCNC(=O)C12CC3CC(CC(C3)O1)C2	REAL300008430244	0	47	-1.0	-54.84	364.22	4.47	-50.37
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CS2)CCOCC1	REAL300008430245	0	46	-1.0	-54.74	378.72	4.92	-49.82
CC1=CC=C(C(C(=O)NCCOCCOCC(=O)[O-])C2CC2)C=C1	REAL300008430246	0	48	-1.0	-55.47	401.03	7.92	-47.55
COC1CC(CCC(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430247	0	45	-1.0	-57.81	373.54	4.01	-53.80
CN1C=C(Br)C(OCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008430248	0	39	-1.0	-62.73	366.72	2.15	-60.58
[NH3+]C(C(=O)NCCOCCOCC(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300008430249	0	55	0.0	-88.11	398.89	4.94	-83.17
CC(C)CC1=NC=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008430250	0	45	-1.0	-55.07	380.54	4.55	-50.52
O=C([O-])COCCOCCNC(=O)C1=NN2C=CC=NC2=C1Cl	REAL300008430251	0	37	-1.0	-64.83	346.48	3.82	-61.01
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])N2C=CC=CC2=N1	REAL300008430252	0	44	-1.0	-61.30	379.05	6.09	-55.21
CC1=CC(F)=CC=C1C1(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430253	0	45	-1.0	-57.20	381.26	6.88	-50.32
CC1=CC=C(F)C=C1C1(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430254	0	45	-1.0	-53.45	381.14	6.86	-46.59
[NH3+]C[C@]1(C(=O)NCCOCCOCC(=O)[O-])C[C@@H]1C(F)(F)F	REAL300008430255	0	41	0.0	-74.47	346.14	2.81	-71.66
O=C([O-])COCCOCCNC(=O)C1CC2CC1C[NH2+]C2	REAL300008430256	0	45	0.0	-87.25	347.60	3.45	-83.80
O=C([O-])COCCOCCNC(=O)C1=CC=NC2=C1C[NH2+]CC2	REAL300008430257	0	44	0.0	-74.10	356.53	2.74	-71.36
O=C([O-])COCCOCCNC(=O)C(O)CC1=CC=CC=C1	REAL300008430258	0	42	-1.0	-56.94	361.47	3.93	-53.01
O=C([O-])COCCOCCNC(=O)C1=C2NCCCN2N=C1	REAL300008430259	0	41	-1.0	-60.29	346.18	2.11	-58.18
O=C([O-])COCCOCCNC(=O)[C@@H](O)CC1=CC=CC=C1	REAL300008430260	0	42	-1.0	-55.53	361.47	3.93	-51.60
CCC1=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL300008430261	0	40	-1.0	-55.31	346.19	1.34	-53.97
COC1=CC=C(CC([NH3+])C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL300008430262	0	52	0.0	-80.00	425.92	2.50	-77.50
COC1=CC=C(C([NH3+])CC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL300008430263	0	47	0.0	-79.30	390.65	0.14	-79.16
N#CC1=CC=CC(CC([NH3+])C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430264	0	45	0.0	-81.74	388.00	3.72	-78.02
N#CC1=CC=CC(CC(N)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430264	1	44	-1.0	-59.27	384.98	3.38	-55.89
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430265	0	47	0.0	-76.28	369.26	3.25	-73.03
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300008430266	0	44	-1.0	-62.84	385.38	6.87	-55.97
COC1=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300008430267	0	44	-1.0	-60.28	378.85	4.00	-56.28
CCC1=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL300008430268	0	40	-1.0	-55.95	345.05	4.01	-51.94
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008430269	0	50	0.0	-82.45	421.95	3.99	-78.46
COC(=O)C1=CC=C(C[C@H](N)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008430269	1	49	-1.0	-58.01	418.92	3.67	-54.34
O=C([O-])COCCOCCNC(=O)C1C[NH2+]C2(CCC2)CO1	REAL300008430270	0	46	0.0	-80.45	367.99	2.89	-77.56
O=C([O-])COCCOCCNC(=O)C1CNC2(CCC2)CO1	REAL300008430270	1	45	-1.0	-57.20	364.12	1.72	-55.48
[NH3+]CC1=C(F)C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430271	0	41	0.0	-67.69	343.58	2.69	-65.00
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430272	0	51	-1.0	-58.49	432.67	7.65	-50.84
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CN2C(Br)=N1	REAL300008430273	0	38	-1.0	-60.85	355.54	5.59	-55.26
O=C([O-])COCCOCCNC(=O)C1CCCCNC1=O	REAL300008430274	0	42	-1.0	-56.04	331.99	1.93	-54.11
O=C([O-])COCCOCCNC(=O)[C@@H]1CC2(C[NH2+]1)OCCO2	REAL300008430275	0	44	0.0	-73.07	359.81	0.46	-72.61
[NH3+][C@@H]1C[C@@H]2CC[C@@]1(C(=O)NCCOCCOCC(=O)[O-])C2	REAL300008430276	0	45	0.0	-76.71	352.60	2.43	-74.28
[NH3+][C@]1(C(=O)NCCOCCOCC(=O)[O-])C[C@H]1C1=CC=CC=C1	REAL300008430277	0	45	0.0	-87.30	368.70	3.91	-83.39
N[C@]1(C(=O)NCCOCCOCC(=O)[O-])C[C@H]1C1=CC=CC=C1	REAL300008430277	1	44	-1.0	-57.68	367.98	3.65	-54.03
O=C([O-])COCCOCCNC(=O)C1=NNC=C1C1CCC1	REAL300008430278	0	42	-1.0	-59.19	353.02	3.64	-55.55
CC1CC(C)(C(=O)NCCOCCOCC(=O)[O-])CC(C)O1	REAL300008430279	0	48	-1.0	-57.20	373.62	4.17	-53.03
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300008430280	0	45	-1.0	-58.16	402.73	7.41	-50.75
COCCN1C=CC=C(C(=O)NCCOCCOCC(=O)[O-])C1=O	REAL300008430281	0	45	-1.0	-71.01	381.18	4.17	-66.84
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1NC(=O)CC2	REAL300008430282	0	43	-1.0	-64.11	360.60	4.11	-60.00
O=C([O-])COCCOCCNC(=O)[C@]12COC[C@H]1C2(F)F	REAL300008430284	0	37	-1.0	-54.94	327.80	2.32	-52.62
O=C([O-])COCCOCCNC(=O)C1=NN(CC(F)(F)F)C=C1Cl	REAL300008430285	0	38	-1.0	-63.19	365.77	4.18	-59.01
O=C([O-])COCCOCCNC(=O)C1=CC=CN(C2CCC2)C1=O	REAL300008430286	0	45	-1.0	-66.22	371.93	5.48	-60.74
O=C([O-])COCCOCCNC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300008430287	0	40	-1.0	-66.33	369.42	5.07	-61.26
CC1=CC=C(F)C=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430288	0	41	-1.0	-52.06	360.77	5.75	-46.31
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CC(F)=CC=C1F	REAL300008430289	0	38	-1.0	-54.99	350.95	5.35	-49.64
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CC=CC(F)=C1F	REAL300008430290	0	38	-1.0	-56.15	350.84	5.36	-50.79
CCC1=CC=CC=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430291	0	44	-1.0	-53.76	371.12	6.26	-47.50
O=C([O-])COCCOCCNC(=O)CC(C1=CC=CC=C1)N1C=NN=N1	REAL300008430292	0	46	-1.0	-65.24	393.93	5.49	-59.75
O=C([O-])COCCOCCNC(=O)C1=C2NC=CC(=O)N2N=C1	REAL300008430293	0	38	-1.0	-66.02	338.11	2.35	-63.67
CC(C)(CC1=CC=C(O)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430294	0	48	-1.0	-55.99	392.36	3.99	-52.00
O=C([O-])COCCOCCNC(=O)C1(CC2=CC=C(O)C=C2)CC1	REAL300008430295	0	46	-1.0	-59.76	392.85	4.24	-55.52
CC(C)(CC1=NNN=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430296	0	43	-1.0	-60.57	356.54	2.34	-58.23
CC(C)(CC1=CNN=N1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430296	1	43	-1.0	-60.57	356.54	2.34	-58.23
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL300008430297	0	52	-1.0	-60.15	429.23	7.12	-53.03
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=C(Cl)N=C2S1	REAL300008430298	0	37	-1.0	-56.56	356.48	4.46	-52.10
O=C([O-])COCCOCCNC(=O)CC1=C2NC=CC=C2N=C1	REAL300008430299	0	41	-1.0	-66.74	356.72	3.38	-63.36
COC1=C2NC=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL300008430300	0	46	-1.0	-62.15	391.79	4.53	-57.62
O=C([O-])COCCOCCNC(=O)C1=CC2=C(COCC2)N=C1Cl	REAL300008430301	0	42	-1.0	-58.94	367.38	3.23	-55.71
CC1=C(Br)C(=O)C(C(=O)NCCOCCOCC(=O)[O-])=CN1C	REAL300008430302	0	41	-1.0	-66.06	364.50	4.99	-61.07
O=C([O-])COCCOCCNC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300008430303	0	39	-1.0	-54.92	362.43	5.01	-49.91
CC1=C(C(=O)NCCOCCOCC(=O)[O-])NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300008430304	0	52	-1.0	-57.42	431.22	8.55	-48.87
CC1=C(C(=O)NCCOCCOCC(=O)[O-])NC2=C1CCCC2	REAL300008430305	0	46	-1.0	-57.29	374.07	5.40	-51.89
O=C([O-])COCCOCCNC(=O)C1=CC(CC2CCC2)=CN1	REAL300008430306	0	46	-1.0	-57.76	384.42	5.85	-51.91
CC1=C(C)NC(C=CC(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008430307	0	42	-1.0	-58.57	364.31	3.77	-54.80
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=CS1	REAL300008430308	0	38	-1.0	-55.39	335.41	4.98	-50.41
CCCCN1C=C(C(=O)NCCOCCOCC(=O)[O-])N=N1	REAL300008430309	0	43	-1.0	-57.67	371.37	3.25	-54.42
CS(C)(=O)=NC1=CC=NC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430310	0	44	-1.0	-72.31	383.80	1.15	-71.16
C[C@H]1C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C(=O)[C@H]1C	REAL300008430311	0	44	-1.0	-63.03	371.66	3.27	-59.76
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL300008430312	0	52	-1.0	-60.49	432.13	7.05	-53.44
O=C([O-])COCCOCCNC(=O)C1CC(C2CCOCC2)=NO1	REAL300008430313	0	47	-1.0	-64.98	389.39	3.79	-61.19
O=C([O-])COCCOCCNC(=O)C1CC(CC2=CC=CC=C2)=NO1	REAL300008430314	0	46	-1.0	-65.79	396.30	6.71	-59.08
CC(C)CC1=CC=C2C(N)=C(C(=O)NCCOCCOCC(=O)[O-])SC2=N1	REAL300008430315	0	51	-1.0	-58.69	427.82	5.50	-53.19
[NH3+]C1(C(=O)NCCOCCOCC(=O)[O-])C2CC3CC(C2)CC1C3	REAL300008430316	0	52	0.0	-76.95	375.26	3.84	-73.11
CCCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1C	REAL300008430317	0	44	-1.0	-59.23	374.22	4.31	-54.92
CCCC1=NN(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430318	0	44	-1.0	-55.65	370.90	4.37	-51.28
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430319	0	50	0.0	-62.05	378.22	5.63	-56.42
O=C([O-])COCCOCCNC(=O)C1CCC2(CNC(=O)C2)CC1	REAL300008430320	0	49	-1.0	-64.48	387.65	2.63	-61.85
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL300008430321	0	52	-1.0	-68.98	429.36	7.01	-61.97
CC1=NOC2(CC(C(=O)NCCOCCOCC(=O)[O-])C2)C1	REAL300008430322	0	43	-1.0	-55.05	357.31	3.55	-51.50
O=C([O-])COCCOCCNC(=O)C1=C2CCCCC2=NNC1=O	REAL300008430323	0	44	-1.0	-57.86	360.41	2.79	-55.07
CC(C)CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL300008430324	0	43	-1.0	-55.48	366.74	4.66	-50.82
CC(C)(C)C1CCC(C(=O)NCCOCCOCC(=O)[O-])[NH2+]C1	REAL300008430325	0	53	0.0	-77.34	391.17	4.30	-73.04
[NH3+]C(C(=O)NCCOCCOCC(=O)[O-])C1CCCOC1	REAL300008430326	0	45	0.0	-76.76	355.59	0.95	-75.81
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CCOCC2)S1	REAL300008430327	0	45	-1.0	-57.00	388.92	3.25	-53.75
CC1=CN2CC(C(=O)NCCOCCOCC(=O)[O-])CCC2=N1	REAL300008430328	0	45	-1.0	-57.05	372.33	5.25	-51.80
O=C([O-])COCCOCCNC(=O)C1(CC2=NNN=C2)CCOCC1	REAL300008430329	0	48	-1.0	-57.67	385.46	1.64	-56.03
O=C([O-])COCCOCCNC(=O)C1(CC2=CNN=N2)CCOCC1	REAL300008430329	1	48	-1.0	-57.67	385.46	1.64	-56.03
O=C([O-])COCCOCCNC(=O)C1(CC2=NNN=C2)CCCC1	REAL300008430330	0	47	-1.0	-62.59	376.15	4.03	-58.56
O=C([O-])COCCOCCNC(=O)C1(CC2=CNN=N2)CCCC1	REAL300008430330	1	47	-1.0	-62.59	376.15	4.03	-58.56
O=C([O-])COCCOCCNC(=O)C1=CN=C2COCCC2=C1	REAL300008430331	0	42	-1.0	-56.13	354.69	2.79	-53.34
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430332	0	43	-1.0	-54.26	367.88	6.56	-47.70
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1CC(F)(F)F	REAL300008430333	0	41	-1.0	-61.20	369.30	4.01	-57.19
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC(Cl)=C21	REAL300008430334	0	42	-1.0	-60.46	371.56	6.52	-53.94
CC1=C(C2CC2)ON=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430335	0	41	-1.0	-55.71	355.63	4.82	-50.89
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430336	0	44	-1.0	-55.42	382.93	6.21	-49.21
O=C([O-])COCCOCCNC(=O)C=CC1=C(Br)C=CS1	REAL300008430337	0	36	-1.0	-56.49	350.40	5.38	-51.11
O=C([O-])COCCOCCNC(=O)C=CC1=C(Br)SC=C1	REAL300008430338	0	36	-1.0	-57.20	350.34	5.33	-51.87
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430339	0	49	-1.0	-54.34	416.22	6.19	-48.15
O=C([O-])COCCOCCNC(=O)C1=C(F)C=CC2=NNC=C21	REAL300008430340	0	38	-1.0	-61.22	342.80	3.12	-58.10
O=C([O-])COCCOCCNC(=O)C(F)C1CCOCC1	REAL300008430341	0	42	-1.0	-54.23	349.34	3.03	-51.20
O=C([O-])COCCOCCNC(=O)C12CC(C(F)(F)F)(C1)CO2	REAL300008430342	0	40	-1.0	-52.38	355.36	3.09	-49.29
O=C([O-])COCCOCCNC(=O)C1=CN=CC(N2C=CC=N2)=N1	REAL300008430343	0	40	-1.0	-55.43	358.52	3.19	-52.24
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC2=CN=CC=C21	REAL300008430344	0	40	-1.0	-56.45	347.95	5.07	-51.38
CN1N=NC=C1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008430345	0	44	-1.0	-60.77	375.28	4.31	-56.46
CC(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300008430346	0	45	-1.0	-62.16	378.49	5.27	-56.89
CCCC(C(=O)NCCOCCOCC(=O)[O-])N1SC2=CC=CC=C2C1=O	REAL300008430347	0	50	-1.0	-65.05	428.77	8.20	-56.85
CC(C)(C)C1=CC=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430348	0	46	-1.0	-55.94	363.36	4.94	-51.00
[NH3+]CCN1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430349	0	49	0.0	-86.86	385.17	0.38	-86.48
CC1=C(F)C=CC=C1C1(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430350	0	45	-1.0	-54.41	380.01	6.83	-47.58
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CS2)CCCC1	REAL300008430351	0	45	-1.0	-54.45	373.83	6.73	-47.72
O=C([O-])COCCOCCNC(=O)C(C1=CC=CS1)C1CCCCC1	REAL300008430352	0	51	-1.0	-53.64	417.79	8.07	-45.57
C=C(C)[C@@H]1OCCC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430353	0	46	-1.0	-54.29	372.32	4.32	-49.97
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC2=NNN=C21	REAL300008430354	0	40	-1.0	-56.47	346.99	2.43	-54.04
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=CC=CN12	REAL300008430355	0	38	-1.0	-61.00	331.18	4.83	-56.17
CC1(C)NC(=O)CC1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430356	0	42	-1.0	-56.97	348.80	1.02	-55.95
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCSC2)N=C1Cl	REAL300008430357	0	42	-1.0	-57.64	376.97	5.40	-52.24
O=C([O-])COCCOCCNC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21	REAL300008430358	0	40	-1.0	-62.23	338.48	1.27	-60.96
CC1=C(C(N)=O)C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430359	0	42	-1.0	-64.55	350.42	2.00	-62.55
O=C([O-])COCCOCCNC(=O)CC1=CC(Cl)=CC(Br)=C1	REAL300008430360	0	38	-1.0	-55.66	368.38	6.31	-49.35
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC(OC(F)F)=C2O1	REAL300008430361	0	42	-1.0	-58.16	376.24	4.47	-53.69
CN1N=C(C(F)(F)F)C=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL300008430362	0	41	-1.0	-61.62	371.98	3.68	-57.94
CC1CC(CC(=O)NCCOCCOCC(=O)[O-])C(C)O1	REAL300008430363	0	45	-1.0	-55.22	361.22	3.61	-51.61
CCC1=CN2CCC(C(=O)NCCOCCOCC(=O)[O-])CC2=N1	REAL300008430364	0	48	-1.0	-60.18	393.90	6.01	-54.17
O=C([O-])COCCOCCNC(=O)CC1CCCC2CCCCC12	REAL300008430365	0	54	-1.0	-54.14	401.11	7.39	-46.75
COC1=C2C(C(=O)NCCOCCOCC(=O)[O-])=CSC2=CC=C1	REAL300008430366	0	42	-1.0	-60.00	365.77	6.56	-53.44
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NS1	REAL300008430367	0	37	-1.0	-57.92	336.58	4.45	-53.47
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(F)=C1	REAL300008430368	0	35	-1.0	-52.98	321.16	4.33	-48.65
CC1(C)[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@@H]1C(F)F	REAL300008430369	0	41	-1.0	-58.20	338.17	4.78	-53.42
CN1N=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C21	REAL300008430370	0	40	-1.0	-71.51	348.51	3.17	-68.34
O=C([O-])COCCOCCNC(=O)C1=C2SC(Br)=CN2C=N1	REAL300008430371	0	35	-1.0	-60.10	348.37	5.58	-54.52
O=C([O-])COCCOCCNC(=O)C1=CC(C2CC2)=CC=N1	REAL300008430372	0	41	-1.0	-56.92	352.40	4.91	-52.01
CCOC1=CC=C(Cl)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430373	0	41	-1.0	-59.53	369.17	4.72	-54.81
COC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=N1	REAL300008430374	0	40	-1.0	-55.52	344.25	-0.11	-55.63
CC(CC1=CC=NC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008430375	0	43	-1.0	-55.48	362.12	4.72	-50.76
O=C([O-])COCCOCCNC(=O)C1CC(N2C=CN=C2)C1	REAL300008430376	0	42	-1.0	-62.66	355.82	5.50	-57.16
O=C([O-])COCCOCCNC(=O)C1CCCN2C=NN=C12	REAL300008430377	0	41	-1.0	-65.59	343.61	5.44	-60.15
CS(=O)(=O)[C@H]1C[NH2+][C@H](C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430378	0	44	0.0	-87.86	373.63	-0.90	-88.76
CC1=CC=CC(C(O)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430379	0	42	-1.0	-55.91	359.36	3.94	-51.97
[NH3+]CC12CCC(C(=O)NCCOCCOCC(=O)[O-])(CO1)C2	REAL300008430380	0	46	0.0	-88.72	369.77	0.63	-88.09
COC1CC[NH2+]C(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430381	0	45	0.0	-66.83	362.02	1.61	-65.22
CCO[C@H]1C[NH2+][C@H](C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430382	0	45	0.0	-73.79	367.43	1.67	-72.12
[NH3+]C(C(=O)NCCOCCOCC(=O)[O-])C1CC2CC2C1	REAL300008430383	0	45	0.0	-75.23	357.88	3.05	-72.18
[NH3+]CCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL300008430384	0	41	0.0	-91.45	351.72	0.51	-90.94
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430385	0	53	-1.0	-55.13	434.66	4.09	-51.04
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)OC1(C)C	REAL300008430386	0	42	-1.0	-59.76	356.35	4.63	-55.13
O=C([O-])COCCOCCNC(=O)C(F)(F)C1(O)CCCC1	REAL300008430387	0	42	-1.0	-51.38	349.94	1.88	-49.50
O=C([O-])COCCOCCNC(=O)C1=NC=C2C=CSC2=C1	REAL300008430388	0	37	-1.0	-57.80	339.88	4.20	-53.60
CC(C)(C)C1=CC=C2C(N)=C(C(=O)NCCOCCOCC(=O)[O-])SC2=N1	REAL300008430389	0	51	-1.0	-58.82	427.87	4.82	-54.00
COC1=CC=C(Cl)C(F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430390	0	39	-1.0	-58.66	361.10	4.27	-54.39
N#CC1=CNC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL300008430391	0	40	-1.0	-67.72	358.28	5.02	-62.70
O=C([O-])COCCOCCNC(=O)[C@]12CCO[C@H]1CC(=O)NC2	REAL300008430392	0	44	-1.0	-59.21	359.90	-0.06	-59.27
CCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C1	REAL300008430393	0	41	-1.0	-59.90	353.17	6.04	-53.86
CC1CCCC(O)(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430394	0	48	-1.0	-56.15	366.52	3.34	-52.81
O=C([O-])COCCOCCNC(=O)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300008430395	0	45	0.0	-84.82	366.21	1.36	-83.46
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(S(N)(=O)=O)S1	REAL300008430396	0	40	-1.0	-67.45	366.41	0.55	-66.90
O=C([O-])COCCOCCNC(=O)C1=NC2=CC=NC=C2C=C1	REAL300008430397	0	39	-1.0	-57.53	344.07	3.17	-54.36
CC(C)(C)C1CCC(C(O)C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008430398	0	57	-1.0	-55.36	419.35	4.34	-51.02
CCOC1=C(C(=O)NCCOCCOCC(=O)[O-])C=CS1	REAL300008430399	0	39	-1.0	-60.70	348.76	4.84	-55.86
O=C([O-])COCCOCCNC(=O)C1=NN2CCCOC2=C1	REAL300008430400	0	40	-1.0	-59.31	344.48	1.36	-57.95
O=C([O-])COCCOCCNC(=O)C1=C2NC=CC2=CC(F)=C1	REAL300008430401	0	39	-1.0	-55.74	341.24	4.78	-50.96
CCC1=NNC(CC)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL300008430402	0	47	-1.0	-59.18	388.42	4.09	-55.09
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=CS2)N1	REAL300008430403	0	36	-1.0	-56.98	329.59	3.51	-53.47
CN(C)C1=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C2O1	REAL300008430404	0	45	-1.0	-67.37	384.53	3.31	-64.06
O=C([O-])COCCOCCNC(=O)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL300008430405	0	48	-1.0	-56.88	407.55	6.18	-50.70
CC(C)C[N@@H+]1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430406	0	53	0.0	-66.29	400.83	6.84	-59.45
CC(C)C[N@H+]1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430406	1	53	0.0	-66.29	400.83	6.84	-59.45
CC[N@@H+]1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430407	0	47	0.0	-71.65	368.17	5.22	-66.43
CC[N@H+]1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430407	1	47	0.0	-71.65	368.17	5.22	-66.43
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008430408	0	42	-1.0	-55.57	358.26	6.54	-49.03
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL300008430409	0	42	-1.0	-54.65	379.56	7.17	-47.48
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430410	0	46	-1.0	-58.86	386.64	5.89	-52.97
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300008430411	0	45	-1.0	-59.75	391.58	7.35	-52.40
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL300008430412	0	42	-1.0	-55.49	390.19	7.51	-47.98
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430413	0	46	-1.0	-57.84	387.77	5.84	-52.00
O=C([O-])COCCOCCNC(=O)C1CCC2=NN=CN2C1	REAL300008430414	0	41	-1.0	-60.80	345.03	5.34	-55.46
N#CC1=CC=C([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008430415	0	43	-1.0	-57.12	379.09	6.94	-50.18
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008430416	0	42	-1.0	-55.57	358.26	6.54	-49.03
O=C([O-])COCCOCCNC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300008430417	0	42	-1.0	-56.73	358.27	6.54	-50.19
CC1C(C(=O)NCCOCCOCC(=O)[O-])C1C1=CC=CC=C1	REAL300008430418	0	45	-1.0	-55.73	375.49	7.04	-48.69
O=C([O-])COCCOCCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300008430419	0	57	0.0	-75.76	449.59	9.00	-66.76
O=C([O-])COCCOCCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300008430419	1	57	0.0	-75.76	449.59	9.00	-66.76
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300008430420	0	46	-1.0	-54.68	404.26	6.34	-48.34
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430421	0	48	-1.0	-55.33	395.71	7.76	-47.57
O=C([O-])COCCOCCNC(=O)C1CCCN(CC(F)F)C1	REAL300008430422	0	46	-1.0	-58.59	369.37	2.79	-55.80
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430423	0	53	0.0	-75.92	395.92	6.06	-69.86
C[N@H+]1CCCC(C(C)(C)C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430423	1	53	0.0	-75.92	395.92	6.06	-69.86
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL300008430424	0	42	-1.0	-59.10	363.80	6.57	-52.53
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL300008430425	0	43	-1.0	-57.44	369.28	3.69	-53.75
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008430426	0	43	-1.0	-58.80	379.10	6.93	-51.87
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL300008430427	0	44	-1.0	-57.43	386.48	7.22	-50.21
CN1C=CC(C2=NNC=C2C(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008430428	0	42	-1.0	-68.12	367.76	2.64	-65.48
CN(C)C1C[NH2+]CC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008430429	0	49	0.0	-82.14	374.34	0.86	-81.28
O=C([O-])COCCOCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300008430430	0	46	0.0	-69.24	363.98	6.27	-62.97
O=C([O-])COCCOCCNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300008430430	1	45	-1.0	-54.77	362.15	3.87	-50.90
O=C([O-])COCCOCCNC(=O)C12CC(C1)CN2C1CC1	REAL300008430430	1	45	-1.0	-54.77	362.15	3.87	-50.90
O=C([O-])COCCOCCNC(=O)C(F)(F)OC1=CC=CC=C1	REAL300008430431	0	39	-1.0	-55.78	348.54	5.23	-50.55
O=C([O-])COCCOCCNC(=O)[C@H]1C[C@H](N2C=NN=C2)C1	REAL300008430432	0	41	-1.0	-60.61	350.24	6.19	-54.42
NC1=C(Br)C=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430433	0	36	-1.0	-53.25	330.33	1.61	-51.64
CN1C(Br)=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008430434	0	35	-1.0	-53.47	327.80	3.43	-50.04
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL300008430435	0	42	-1.0	-54.74	374.99	7.06	-47.68
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300008430436	0	45	-1.0	-55.09	397.00	7.55	-47.54
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL300008430437	0	42	-1.0	-55.86	379.56	7.16	-48.70
O=C([O-])COCCOCCNC(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300008430438	0	35	-1.0	-53.07	340.73	4.67	-48.40
O=C([O-])C1CC12CCC(C(=O)NC(CC1CC1)C1=CC=CC=N1)C2	REAL300008430439	0	47	-1.0	-59.81	377.40	9.98	-49.83
O=C([O-])C1(C(=O)N2CCC(N3CC(=O)NC3=O)CC2)C[NH2+]CCO1	REAL300008430440	0	43	-1.0	-66.31	334.14	0.13	-66.18
O=C([O-])C1(C(=O)N2CCC(N3CC(=O)NC3=O)CC2)CNCCO1	REAL300008430440	1	43	-1.0	-66.31	334.14	0.13	-66.18
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC(N2CC(=O)NC2=O)CC1	REAL300008430441	0	42	0.0	-63.68	329.74	0.82	-62.86
O=C([O-])C1CC12CCC(C(=O)N1CCC(N3CC(=O)NC3=O)CC1)C2	REAL300008430442	0	47	-1.0	-72.67	366.89	5.86	-66.81
O=C([O-])C1(C(=O)N2CCCC(C(F)(F)F)CC2)C[NH2+]CCO1	REAL300008430443	0	40	-1.0	-49.28	299.73	3.96	-45.32
O=C([O-])C1(C(=O)N2CCCC(C(F)(F)F)CC2)CNCCO1	REAL300008430443	1	40	-1.0	-49.28	299.73	3.96	-45.32
O=C([O-])C1CC12CCC(C(=O)N1CCCC(C(F)(F)F)CC1)C2	REAL300008430444	0	44	-1.0	-56.19	339.17	9.96	-46.23
CC(C)(CC1=CNC2=C(Br)C=CC=C12)NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008430445	0	46	0.0	-62.19	375.01	5.32	-56.87
CC(C)(CC1=CNC2=C(Br)C=CC=C12)NC(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008430446	0	43	0.0	-34.35	352.60	4.71	-29.64
CN1N=C(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)C2=C1C[NH2+]CC2	REAL300008430447	0	41	0.0	-91.59	323.17	1.09	-90.50
CN1N=C(NC(=O)C2(C(=O)[O-])CNCCO2)C2=C1C[NH2+]CC2	REAL300008430447	1	41	0.0	-91.59	323.17	1.09	-90.50
O=C([O-])C1CC12CCC(C(=O)N[C@@H]1C[C@@H]3CC[C@@]1(CO)C3)C2	REAL300008430448	0	46	-1.0	-58.91	347.32	5.99	-52.92
CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C1CCC2=CC(Br)=CC=C2C1	REAL300008430449	0	43	0.0	-60.70	349.91	7.20	-53.50
CN(C(=O)C[C@H]([NH3+])C(=O)[O-])C1CCC2=CC(Br)=CC=C2C1	REAL300008430450	0	40	0.0	-32.85	330.97	6.74	-26.11
O=C([O-])C1(C(=O)NCC2CCOC3=CC=C(Br)C=C32)C[NH2+]CCO1	REAL300008430451	0	42	-1.0	-50.17	352.97	3.47	-46.70
O=C([O-])C1(C(=O)NCC2CCOC3=CC=C(Br)C=C32)CNCCO1	REAL300008430451	1	42	-1.0	-50.17	352.97	3.47	-46.70
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1CCOC2=CC=C(Br)C=C21	REAL300008430452	0	41	0.0	-63.46	346.85	4.23	-59.23
[NH3+][C@@H](CC(=O)NCC1CCOC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300008430453	0	38	0.0	-34.49	324.48	3.64	-30.85
CC1CC(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)CCS1(=O)=O	REAL300008430454	0	43	-1.0	-56.22	338.14	-0.65	-56.87
CC1CC(CNC(=O)C2(C(=O)[O-])CNCCO2)CCS1(=O)=O	REAL300008430454	1	43	-1.0	-56.22	338.14	-0.65	-56.87
CC1CC(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])CCS1(=O)=O	REAL300008430455	0	42	0.0	-72.30	331.99	0.11	-72.19
CC1CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCS1(=O)=O	REAL300008430456	0	47	-1.0	-55.63	365.81	5.02	-50.61
O=C([O-])C1(C(=O)NCC2(C(F)(F)F)CCCCC2)C[NH2+]CCO1	REAL300008430457	0	43	-1.0	-48.75	328.86	3.63	-45.12
O=C([O-])C1(C(=O)NCC2(C(F)(F)F)CCCCC2)CNCCO1	REAL300008430457	1	43	-1.0	-48.75	328.86	3.63	-45.12
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1(C(F)(F)F)CCCCC1	REAL300008430458	0	42	0.0	-61.17	322.75	4.39	-56.78
O=C([O-])C1CC12CCC(C(=O)NCC1(C(F)(F)F)CCCCC1)C2	REAL300008430459	0	47	-1.0	-54.51	358.18	9.36	-45.15
O=C([O-])C1(C(=O)NCC2=NOC(C3CCCC3)=C2)C[NH2+]CCO1	REAL300008430460	0	43	-1.0	-53.55	346.26	3.19	-50.36
O=C([O-])C1(C(=O)NCC2=NOC(C3CCCC3)=C2)CNCCO1	REAL300008430460	1	43	-1.0	-53.55	346.26	3.19	-50.36
O=C([O-])C1CC12CCC(C(=O)NCC1=NOC(C3CCCC3)=C1)C2	REAL300008430461	0	47	-1.0	-59.03	376.15	8.89	-50.14
CN1C=NC2=CC(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)=CC=C2C1=O	REAL300008430462	0	39	-1.0	-58.13	324.03	2.87	-55.26
CN1C=NC2=CC(NC(=O)C3(C(=O)[O-])CNCCO3)=CC=C2C1=O	REAL300008430462	1	39	-1.0	-58.13	324.03	2.87	-55.26
CN1C=NC2=CC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])=CC=C2C1=O	REAL300008430463	0	38	0.0	-71.23	318.11	3.71	-67.52
CN1C=NC2=CC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)=CC=C2C1=O	REAL300008430464	0	43	-1.0	-65.71	354.47	8.70	-57.01
CC1=CC2=CC=CC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)=C2C=N1	REAL300008430465	0	43	-1.0	-49.32	344.67	9.15	-40.17
O=C([O-])C1CC12CCC(C(=O)NC1=CNN=C1C1=CN=CC=N1)C2	REAL300008430466	0	40	-1.0	-49.27	333.02	4.74	-44.53
O=C([O-])C1CC12CCC(C(=O)N[C@@H]1COC[C@@H]1N1C=CN=C1)C2	REAL300008430467	0	43	-1.0	-55.02	342.44	7.48	-47.54
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC(CN2C=C(Br)C=N2)CC1	REAL300008430468	0	43	0.0	-59.30	356.34	5.44	-53.86
[NH3+][C@@H](CC(=O)N1CCC(CN2C=C(Br)C=N2)CC1)C(=O)[O-]	REAL300008430469	0	40	0.0	-33.19	337.01	5.01	-28.18
O=C([O-])C1(C(=O)N[C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C[NH2+]CCO1	REAL300008430470	0	52	-1.0	-53.90	387.69	6.65	-47.25
O=C([O-])C1(C(=O)N[C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)CNCCO1	REAL300008430470	1	52	-1.0	-53.90	387.69	6.65	-47.25
[NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21	REAL300008430471	0	51	0.0	-59.55	391.55	7.50	-52.05
[NH3+][C@@H](CC(=O)N[C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21)C(=O)[O-]	REAL300008430472	0	48	0.0	-31.56	364.22	6.87	-24.69
O=C([O-])C1CC12CCC(C(=O)N[C@@H]1[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]31)C2	REAL300008430473	0	56	-1.0	-56.41	428.36	12.05	-44.36
O=C([O-])C1(C(=O)NCC2(C3=CC=CS3)CCOCC2)C[NH2+]CCO1	REAL300008430474	0	45	-1.0	-49.97	355.92	2.72	-47.25
O=C([O-])C1(C(=O)NCC2(C3=CC=CS3)CCOCC2)CNCCO1	REAL300008430474	1	45	-1.0	-49.97	355.92	2.72	-47.25
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1(C2=CC=CS2)CCOCC1	REAL300008430475	0	44	0.0	-59.35	349.75	3.49	-55.86
[NH3+][C@@H](CC(=O)NCC1(C2=CC=CS2)CCOCC1)C(=O)[O-]	REAL300008430476	0	41	0.0	-32.24	326.99	2.89	-29.35
O=C([O-])C1CC12CCC(C(=O)NCC1(C3=CC=CS3)CCOCC1)C2	REAL300008430477	0	49	-1.0	-46.96	383.96	8.39	-38.57
O=C([O-])C1(C(=O)NCC2=NOC(C3=CC=CC=C3F)=C2)C[NH2+]CCO1	REAL300008430478	0	40	-1.0	-56.58	346.84	3.56	-53.02
O=C([O-])C1(C(=O)NCC2=NOC(C3=CC=CC=C3F)=C2)CNCCO1	REAL300008430478	1	40	-1.0	-56.58	346.84	3.56	-53.02
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=NOC(C2=CC=CC=C2F)=C1	REAL300008430479	0	39	0.0	-62.11	340.73	4.33	-57.78
[NH3+][C@@H](CC(=O)NCC1=NOC(C2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300008430480	0	36	0.0	-36.14	318.49	3.71	-32.43
O=C([O-])C1CC12CCC(C(=O)NCC1=NOC(C3=CC=CC=C3F)=C1)C2	REAL300008430481	0	44	-1.0	-62.37	376.73	9.28	-53.09
O=C([O-])C1(C(=O)NCC2CC[NH2+]CCC2(F)F)C[NH2+]CCO1	REAL300008430482	0	43	0.0	-78.08	320.35	0.82	-77.26
O=C([O-])C1(C(=O)NCC2CC[NH2+]CCC2(F)F)CNCCO1	REAL300008430482	1	43	0.0	-78.08	320.35	0.82	-77.26
O=C([O-])C1(C(=O)NCC2=CC(Cl)=CS2)C[NH2+]CCO1	REAL300008430483	0	31	-1.0	-47.01	290.93	1.99	-45.02
O=C([O-])C1(C(=O)NCC2=CC(Cl)=CS2)CNCCO1	REAL300008430483	1	31	-1.0	-47.01	290.93	1.99	-45.02
O=C([O-])C1CC12CCC(C(=O)NCC1=CC(Cl)=CS1)C2	REAL300008430484	0	35	-1.0	-54.88	320.82	7.70	-47.18
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CC(Cl)=CC=C1NC1=CC=CC=C1	REAL300008430485	0	42	0.0	-63.68	354.61	6.14	-57.54
[NH3+][C@@H](CC(=O)NC1=CC(Cl)=CC=C1NC1=CC=CC=C1)C(=O)[O-]	REAL300008430486	0	39	0.0	-33.78	332.19	5.50	-28.28
O=C([O-])C1CC12CCC(C(=O)NC1=CC(Cl)=CC=C1NC1=CC=CC=C1)C2	REAL300008430487	0	47	-1.0	-48.27	394.57	11.09	-37.18
CN1C2=C(CN(C(=O)C3(C(=O)[O-])C[NH2+]CCO3)CC2)C2=CC=C(Cl)C(F)=C21	REAL300008430488	0	45	-1.0	-46.80	366.25	6.50	-40.30
CN1C2=C(CN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)C2=CC=C(Cl)C(F)=C21	REAL300008430488	1	45	-1.0	-46.80	366.25	6.50	-40.30
CN1C2=C(CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC2)C2=CC=C(Cl)C(F)=C21	REAL300008430489	0	44	0.0	-65.47	362.03	7.32	-58.15
CN1C2=C(CN(C(=O)C[C@H]([NH3+])C(=O)[O-])CC2)C2=CC=C(Cl)C(F)=C21	REAL300008430490	0	41	0.0	-36.50	344.97	6.95	-29.55
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300008430491	0	40	0.0	-56.80	334.04	7.26	-49.54
[NH3+][C@@H](CC(=O)N1CCCC1C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008430492	0	37	0.0	-31.36	315.09	6.79	-24.57
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=C(Cl)C=CC=C1Cl)C2	REAL300008430493	0	45	-1.0	-48.35	365.02	12.03	-36.32
O=C([O-])C1(C(=O)NCCOC2=CC=CC=C2OCC(F)(F)F)C[NH2+]CCO1	REAL300008430494	0	45	-1.0	-54.50	384.39	3.27	-51.23
O=C([O-])C1(C(=O)NCCOC2=CC=CC=C2OCC(F)(F)F)CNCCO1	REAL300008430494	1	45	-1.0	-54.50	384.39	3.27	-51.23
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCCOC1=CC=CC=C1OCC(F)(F)F	REAL300008430495	0	44	0.0	-68.16	378.29	4.03	-64.13
[NH3+][C@@H](CC(=O)NCCOC1=CC=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300008430496	0	41	0.0	-38.04	355.90	3.43	-34.61
CN1CCN2N=C(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C=C2C1=O	REAL300008430497	0	39	-1.0	-59.67	318.83	0.53	-59.14
CN1CCN2N=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C2C1=O	REAL300008430497	1	39	-1.0	-59.67	318.83	0.53	-59.14
CN1CCN2N=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2C1=O	REAL300008430498	0	43	-1.0	-56.87	346.59	6.25	-50.62
O=C([O-])C1CC12CCC(C(=O)N1CCOCC13CCCC3)C2	REAL300008430499	0	46	-1.0	-55.18	330.36	7.88	-47.30
CNC(=O)C1=CC(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=NN1C	REAL300008430500	0	38	-1.0	-47.02	312.89	-1.08	-48.10
CNC(=O)C1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=NN1C	REAL300008430500	1	38	-1.0	-47.02	312.89	-1.08	-48.10
CNC(=O)C1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=NN1C	REAL300008430501	0	42	-1.0	-49.35	342.64	4.70	-44.65
O=C([O-])C1(C(=O)NCC2(C3=CC=CC=C3F)CCCC2)C[NH2+]CCO1	REAL300008430502	0	47	-1.0	-47.55	356.13	6.02	-41.53
O=C([O-])C1(C(=O)NCC2(C3=CC=CC=C3F)CCCC2)CNCCO1	REAL300008430502	1	47	-1.0	-47.55	356.13	6.02	-41.53
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2F)CCCC1	REAL300008430503	0	46	0.0	-58.80	352.00	6.81	-51.99
[NH3+][C@@H](CC(=O)NCC1(C2=CC=CC=C2F)CCCC1)C(=O)[O-]	REAL300008430504	0	43	0.0	-32.96	328.97	6.30	-26.66
O=C([O-])C1CC12CCC(C(=O)NCC1(C3=CC=CC=C3F)CCCC1)C2	REAL300008430505	0	51	-1.0	-46.20	385.31	11.78	-34.42
O=C([O-])C1(C(=O)NCC2=NOC(C3=CC=C(F)C=C3)=C2)C[NH2+]CCO1	REAL300008430506	0	40	-1.0	-53.30	345.19	3.52	-49.78
O=C([O-])C1(C(=O)NCC2=NOC(C3=CC=C(F)C=C3)=C2)CNCCO1	REAL300008430506	1	40	-1.0	-53.30	345.19	3.52	-49.78
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=NOC(C2=CC=C(F)C=C2)=C1	REAL300008430507	0	39	0.0	-61.03	339.08	4.28	-56.75
[NH3+][C@@H](CC(=O)NCC1=NOC(C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300008430508	0	36	0.0	-34.63	316.85	3.66	-30.97
O=C([O-])C1CC12CCC(C(=O)NCC1=NOC(C3=CC=C(F)C=C3)=C1)C2	REAL300008430509	0	44	-1.0	-59.44	375.08	9.23	-50.21
COC1=CC(OC(C)C)=CC=C1NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008430510	0	44	0.0	-61.35	349.96	3.34	-58.01
COC1=CC(OC(C)C)=CC=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430511	0	49	-1.0	-48.96	384.89	8.28	-40.68
NC(=O)CNC(=O)C1=NNC=C1NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008430512	0	38	0.0	-66.70	323.76	-5.07	-71.77
NC(=O)CNC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=NN1	REAL300008430512	1	38	0.0	-66.70	323.76	-5.07	-71.77
NC(=O)CNC(=O)C1=NNC=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430513	0	43	-1.0	-52.79	357.63	-0.17	-52.96
NC(=O)CNC(=O)C1=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=NN1	REAL300008430513	1	43	-1.0	-52.79	357.63	-0.17	-52.96
COC1=CC=C2C(=C1Br)CCCN2C(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008430514	0	41	0.0	-63.44	333.02	5.42	-58.02
COC1=CC=C2C(=C1Br)CCCN2C(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008430515	0	38	0.0	-33.89	312.93	4.84	-29.05
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1(C2=CC=C(F)C(Br)=C2)CC1	REAL300008430516	0	37	0.0	-62.74	327.87	5.03	-57.71
[NH3+][C@@H](CC(=O)NC1(C2=CC=C(F)C(Br)=C2)CC1)C(=O)[O-]	REAL300008430517	0	34	0.0	-34.07	306.61	4.73	-29.34
O=C([O-])C1CC12CCC(C(=O)NC1(C3=CC=C(F)C(Br)=C3)CC1)C2	REAL300008430518	0	42	-1.0	-48.23	363.87	10.11	-38.12
O=C([O-])C1(C(=O)N2CCC3=CC=C(Br)C=C3CC2)C[NH2+]CCO1	REAL300008430519	0	41	-1.0	-47.41	326.66	5.63	-41.78
O=C([O-])C1(C(=O)N2CCC3=CC=C(Br)C=C3CC2)CNCCO1	REAL300008430519	1	41	-1.0	-47.41	326.66	5.63	-41.78
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC2=CC=C(Br)C=C2CC1	REAL300008430520	0	40	0.0	-61.47	326.88	6.45	-55.02
[NH3+][C@@H](CC(=O)N1CCC2=CC=C(Br)C=C2CC1)C(=O)[O-]	REAL300008430521	0	37	0.0	-32.27	307.78	6.07	-26.20
O=C([O-])C1CC12CCC(C(=O)N1CCC3=CC=C(Br)C=C3CC1)C2	REAL300008430522	0	45	-1.0	-47.95	362.96	11.51	-36.44
CCCC(=O)NC1=CC=CC=C1NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008430523	0	43	0.0	-68.52	347.00	3.82	-64.70
CCCC(=O)NC1=CC=CC=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430524	0	48	-1.0	-52.17	380.13	8.75	-43.42
CS(=O)(=NC(=O)C1(C(=O)[O-])C[NH2+]CCO1)C1CC[NH2+]C1	REAL300008430525	0	39	0.0	-101.73	315.38	-1.15	-102.88
CS(=O)(=NC(=O)C1(C(=O)[O-])CNCCO1)C1CC[NH2+]C1	REAL300008430525	1	39	0.0	-101.73	315.38	-1.15	-102.88
COC1=CC(CCNC(=O)[C@@H]([NH3+])CCC(=O)[O-])=CC(OC)=C1OCC1CC1	REAL300008430526	0	55	0.0	-67.99	444.66	5.55	-62.44
COC1=CC(CCNC(=O)C[C@H]([NH3+])C(=O)[O-])=CC(OC)=C1OCC1CC1	REAL300008430527	0	52	0.0	-40.03	422.43	4.93	-35.10
O=C([O-])C1(C(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C[NH2+]CCO1	REAL300008430528	0	48	-1.0	-47.10	365.55	3.47	-43.63
O=C([O-])C1(C(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)CNCCO1	REAL300008430528	1	48	-1.0	-47.10	365.55	3.47	-43.63
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300008430529	0	47	0.0	-60.01	361.48	4.26	-55.75
[NH3+][C@@H](CC(=O)NCC1(C2=CC=CC(F)=C2)CCOCC1)C(=O)[O-]	REAL300008430530	0	44	0.0	-35.02	339.06	3.65	-31.37
O=C([O-])C1CC12CCC(C(=O)NCC1(C3=CC=CC(F)=C3)CCOCC1)C2	REAL300008430531	0	52	-1.0	-55.29	397.26	9.23	-46.06
[NH3+][C@@H](CC(=O)NCC1(C2=CC=C(Br)C=C2)CCCCCC1)C(=O)[O-]	REAL300008430532	0	49	0.0	-31.59	368.74	6.99	-24.60
O=C([O-])C1(C(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)C[NH2+]CCO1	REAL300008430533	0	40	-1.0	-52.72	355.52	3.96	-48.76
O=C([O-])C1(C(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)CNCCO1	REAL300008430533	1	40	-1.0	-52.72	355.52	3.96	-48.76
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300008430534	0	39	0.0	-60.71	349.41	4.72	-55.99
[NH3+][C@@H](CC(=O)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300008430535	0	36	0.0	-33.33	327.02	4.12	-29.21
O=C([O-])C1CC12CCC(C(=O)NCC1=NOC(C3=CC=CC(Cl)=C3)=C1)C2	REAL300008430536	0	44	-1.0	-58.77	385.41	9.67	-49.10
O=C([O-])C1(C(=O)NC[C@H](O)C2=CC=C(F)C(Br)=C2)C[NH2+]CCO1	REAL300008430537	0	38	-1.0	-49.70	339.80	0.73	-48.97
O=C([O-])C1(C(=O)NC[C@H](O)C2=CC=C(F)C(Br)=C2)CNCCO1	REAL300008430537	1	38	-1.0	-49.70	339.80	0.73	-48.97
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC[C@H](O)C1=CC=C(F)C(Br)=C1	REAL300008430538	0	37	0.0	-63.18	333.67	1.49	-61.69
[NH3+][C@@H](CC(=O)NC[C@H](O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300008430539	0	34	0.0	-36.22	311.45	0.87	-35.35
CN1N=C([C@@H]2CCC[NH2+]2)N=C1NC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008430540	0	44	1.0	-83.49	342.51	4.44	-79.05
CCOC(=O)C1=CCCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008430541	0	41	-1.0	-46.38	323.97	3.69	-42.69
CCOC(=O)C1=CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008430541	1	41	-1.0	-46.38	323.97	3.69	-42.69
CCOC(=O)C1=CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430542	0	45	-1.0	-58.89	356.51	9.46	-49.43
CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C1=CC=C(Cl)C=N1	REAL300008430543	0	41	0.0	-59.85	332.17	5.52	-54.33
CCN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)C1=CC=C(Cl)C=N1	REAL300008430544	0	46	-1.0	-60.59	367.75	10.52	-50.07
CCOC(=O)C1(CCNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)CCC1	REAL300008430545	0	46	-1.0	-54.71	365.04	3.49	-51.22
CCOC(=O)C1(CCNC(=O)C2(C(=O)[O-])CNCCO2)CCC1	REAL300008430545	1	46	-1.0	-54.71	365.04	3.49	-51.22
CCOC(=O)C1(CCNC(=O)[C@@H]([NH3+])CCC(=O)[O-])CCC1	REAL300008430546	0	45	0.0	-63.75	358.93	4.24	-59.51
CCOC(=O)C1(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCC1	REAL300008430547	0	50	-1.0	-64.28	395.10	9.21	-55.07
COC(=O)C1=CC=C(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)C=C1C	REAL300008430548	0	43	-1.0	-49.71	354.66	3.58	-46.13
COC(=O)C1=CC=C(CNC(=O)C2(C(=O)[O-])CNCCO2)C=C1C	REAL300008430548	1	43	-1.0	-49.71	354.66	3.58	-46.13
COC(=O)C1=CC=C(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=C1C	REAL300008430549	0	42	0.0	-64.95	348.56	4.34	-60.61
COC(=O)C1=CC=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1C	REAL300008430550	0	47	-1.0	-57.98	384.53	9.30	-48.68
O=C([O-])C1(C(=O)NCC23CC4CC(CC(C4)O2)C3)C[NH2+]CCO1	REAL300008430551	0	46	-1.0	-53.55	337.23	2.52	-51.03
O=C([O-])C1(C(=O)NCC23CC4CC(CC(C4)O2)C3)CNCCO1	REAL300008430551	1	46	-1.0	-53.55	337.23	2.52	-51.03
O=C([O-])C1CC12CCC(C(=O)NCC13CC4CC(CC(C4)O1)C3)C2	REAL300008430552	0	50	-1.0	-46.82	365.06	8.18	-38.64
O=C([O-])C1(C(=O)NCC(O)C2=CSC3=CC=CC=C23)C[NH2+]CCO1	REAL300008430553	0	41	-1.0	-51.87	349.82	1.37	-50.50
O=C([O-])C1(C(=O)NCC(O)C2=CSC3=CC=CC=C23)CNCCO1	REAL300008430553	1	41	-1.0	-51.87	349.82	1.37	-50.50
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC(O)C1=CSC2=CC=CC=C21	REAL300008430554	0	40	0.0	-62.57	343.39	2.18	-60.39
[NH3+][C@@H](CC(=O)NCC(O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300008430555	0	37	0.0	-35.13	321.34	1.51	-33.62
O=C([O-])C1CC12CCC(C(=O)NCC(O)C1=CSC3=CC=CC=C13)C2	REAL300008430556	0	45	-1.0	-59.14	379.67	7.06	-52.08
COC(=O)C1=CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL300008430557	0	42	-1.0	-57.06	335.93	8.67	-48.39
CC1=CC=C(F)C2=C1CCN(C(=O)C1(C(=O)[O-])C[NH2+]CCO1)C2	REAL300008430558	0	41	-1.0	-48.10	316.43	4.99	-43.11
CC1=CC=C(F)C2=C1CCN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL300008430558	1	41	-1.0	-48.10	316.43	4.99	-43.11
CC1=CC=C(F)C2=C1CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL300008430559	0	45	-1.0	-53.46	350.65	10.85	-42.61
COC(=O)C(CCCCNC(=O)C1(C(=O)[O-])C[NH2+]CCO1)CC(F)(F)F	REAL300008430560	0	48	-1.0	-53.11	394.35	3.97	-49.14
COC(=O)C(CCCCNC(=O)C1(C(=O)[O-])CNCCO1)CC(F)(F)F	REAL300008430560	1	48	-1.0	-53.11	394.35	3.97	-49.14
COC(=O)C(CCCCNC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC(F)(F)F	REAL300008430561	0	47	0.0	-62.35	388.23	4.72	-57.63
COC(=O)C(CCCCNC(=O)C[C@H]([NH3+])C(=O)[O-])CC(F)(F)F	REAL300008430562	0	44	0.0	-34.32	365.45	4.13	-30.19
COC(=O)C(CCCCNC(=O)C1CCC2(CC2C(=O)[O-])C1)CC(F)(F)F	REAL300008430563	0	52	-1.0	-61.99	424.58	9.68	-52.31
COC(=O)C12CCC(CC1NC(=O)C1(C(=O)[O-])C[NH2+]CCO1)C2	REAL300008430564	0	44	-1.0	-54.15	337.70	3.71	-50.44
COC(=O)C12CCC(CC1NC(=O)C1(C(=O)[O-])CNCCO1)C2	REAL300008430564	1	44	-1.0	-54.15	337.70	3.71	-50.44
COC(=O)C12CCC(CC1NC(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL300008430565	0	48	-1.0	-54.16	368.37	9.58	-44.58
COC(=O)C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C1=CC=CC(Br)=C1	REAL300008430566	0	39	0.0	-61.03	350.67	4.81	-56.22
COC(=O)C(NC(=O)C[C@H]([NH3+])C(=O)[O-])C1=CC=CC(Br)=C1	REAL300008430567	0	36	0.0	-36.37	328.39	4.19	-32.18
O=C([O-])C1(C(=O)NCC2=C(C3=CC=CC=C3)C3=CC(F)=CC=C3O2)C[NH2+]CCO1	REAL300008430568	0	47	-1.0	-49.07	395.94	6.53	-42.54
O=C([O-])C1(C(=O)NCC2=C(C3=CC=CC=C3)C3=CC(F)=CC=C3O2)CNCCO1	REAL300008430568	1	47	-1.0	-49.07	395.94	6.53	-42.54
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=C(C2=CC=CC=C2)C2=CC(F)=CC=C2O1	REAL300008430569	0	46	0.0	-62.56	391.81	7.33	-55.23
[NH3+][C@@H](CC(=O)NCC1=C(C2=CC=CC=C2)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008430570	0	43	0.0	-34.11	369.42	6.73	-27.38
CC(F)(F)C1(CCNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC1	REAL300008430571	0	40	-1.0	-49.88	320.54	2.77	-47.11
CC(F)(F)C1(CCNC(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL300008430571	1	40	-1.0	-49.88	320.54	2.77	-47.11
CC(F)(F)C1(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL300008430572	0	44	-1.0	-61.57	354.15	8.58	-52.99
NC(=O)C12CC(CNC(=O)C3(C(=O)[O-])C[NH2+]CCO3)(C1)OC2	REAL300008430573	0	40	-1.0	-55.84	327.38	-3.34	-59.18
NC(=O)C12CC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)OC2	REAL300008430573	1	40	-1.0	-55.84	327.38	-3.34	-59.18
NC(=O)C12CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(C1)OC2	REAL300008430574	0	44	-1.0	-52.38	355.16	2.32	-50.06
CSCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)(C)C	REAL300008430575	0	47	-1.0	-63.15	364.68	9.06	-54.09
CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008430576	0	47	-1.0	-59.85	354.27	4.60	-55.25
CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008430576	1	47	-1.0	-59.85	354.27	4.60	-55.25
CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008430577	0	46	0.0	-57.13	350.30	5.44	-51.69
CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430578	0	51	-1.0	-52.24	384.38	10.34	-41.90
CCCC1=NC=CN1C1CCCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008430579	0	52	1.0	-64.61	383.34	7.62	-56.99
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008430579	1	52	1.0	-64.61	383.34	7.62	-56.99
CCCC1=NC=CN1C1CCCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C1	REAL300008430580	0	50	1.0	-90.11	378.06	7.05	-83.06
CCCC1=[NH+]C=CN1C1CCCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C1	REAL300008430580	1	50	1.0	-90.11	378.06	7.05	-83.06
CCCC1=NC=CN1C1CCCN(C(=O)C[C@H]([NH3+])C(=O)[O-])C1	REAL300008430581	0	47	1.0	-61.86	358.61	6.60	-55.26
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C[C@H]([NH3+])C(=O)[O-])C1	REAL300008430581	1	47	1.0	-61.86	358.61	6.60	-55.26
CCCC1=NC=CN1C1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430582	0	55	0.0	-63.92	412.89	12.00	-51.92
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430582	1	55	0.0	-63.92	412.89	12.00	-51.92
O=C([O-])C1CC12CCC(C(=O)NCCC13CCC(CC1)C3)C2	REAL300008430583	0	48	-1.0	-46.60	357.36	9.21	-37.39
O=C([O-])C1(C(=O)NCC2(CF)CC23CCOCC3)C[NH2+]CCO1	REAL300008430584	0	45	-1.0	-48.59	342.82	2.18	-46.41
O=C([O-])C1(C(=O)NCC2(CF)CC23CCOCC3)CNCCO1	REAL300008430584	1	45	-1.0	-48.59	342.82	2.18	-46.41
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1(CF)CC12CCOCC2	REAL300008430585	0	44	0.0	-61.79	339.00	3.01	-58.78
O=C([O-])C1CC12CCC(C(=O)NCC1(CF)CC13CCOCC3)C2	REAL300008430586	0	49	-1.0	-57.70	379.61	8.08	-49.62
O=C([O-])C1(C(=O)NCCC2=CC(Cl)=CC=C2Cl)C[NH2+]CCO1	REAL300008430587	0	37	-1.0	-48.43	333.85	4.04	-44.39
O=C([O-])C1(C(=O)NCCC2=CC(Cl)=CC=C2Cl)CNCCO1	REAL300008430587	1	37	-1.0	-48.43	333.85	4.04	-44.39
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCCC1=CC(Cl)=CC=C1Cl	REAL300008430588	0	36	0.0	-60.34	329.69	4.83	-55.51
[NH3+][C@@H](CC(=O)NCCC1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300008430589	0	33	0.0	-32.80	307.46	4.22	-28.58
O=C([O-])C1CC12CCC(C(=O)NCCC1=CC(Cl)=CC=C1Cl)C2	REAL300008430590	0	41	-1.0	-58.57	365.70	9.79	-48.78
O=C([O-])C1(C(=O)N2CCCC(CCC(F)(F)F)C2)C[NH2+]CCO1	REAL300008430591	0	43	-1.0	-47.96	333.71	4.63	-43.33
O=C([O-])C1(C(=O)N2CCCC(CCC(F)(F)F)C2)CNCCO1	REAL300008430591	1	43	-1.0	-47.96	333.71	4.63	-43.33
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCCC(CCC(F)(F)F)C1	REAL300008430592	0	42	0.0	-60.40	331.32	5.49	-54.91
O=C([O-])C1CC12CCC(C(=O)N1CCCC(CCC(F)(F)F)C1)C2	REAL300008430593	0	47	-1.0	-47.74	367.12	10.50	-37.24
CC(C)(C)C1CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430594	0	50	-1.0	-46.35	372.72	9.27	-37.08
CC1(C)CC(CCNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)CO1	REAL300008430595	0	44	-1.0	-50.27	342.66	1.68	-48.59
CC1(C)CC(CCNC(=O)C2(C(=O)[O-])CNCCO2)CO1	REAL300008430595	1	44	-1.0	-50.27	342.66	1.68	-48.59
CC1(C)CC(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)CO1	REAL300008430596	0	48	-1.0	-60.91	371.00	7.38	-53.53
O=C([O-])C1(C(=O)NCC23CCCC2C3(F)F)C[NH2+]CCO1	REAL300008430597	0	38	-1.0	-48.80	308.47	3.01	-45.79
O=C([O-])C1(C(=O)NCC23CCCC2C3(F)F)CNCCO1	REAL300008430597	1	38	-1.0	-48.80	308.47	3.01	-45.79
O=C([O-])C1CC12CCC(C(=O)NCC13CCCC1C3(F)F)C2	REAL300008430598	0	42	-1.0	-56.25	338.15	8.69	-47.56
CC1(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC(F)(F)CN1	REAL300008430599	0	41	1.0	-81.76	318.73	1.76	-80.00
CC1(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC(F)(F)C[NH2+]1	REAL300008430599	1	41	1.0	-81.76	318.73	1.76	-80.00
O=C([O-])C1(C(=O)NCC2(C3CC[NH2+]CC3)CCOCC2)C[NH2+]CCO1	REAL300008430600	0	54	0.0	-52.44	372.22	2.09	-50.35
O=C([O-])C1(C(=O)NCC2(C3CC[NH2+]CC3)CCOCC2)CNCCO1	REAL300008430600	1	54	0.0	-52.44	372.22	2.09	-50.35
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1(C2CC[NH2+]CC2)CCOCC1	REAL300008430601	0	53	1.0	-88.62	364.68	2.84	-85.78
[NH3+][C@@H](CC(=O)NCC1(C2CC[NH2+]CC2)CCOCC1)C(=O)[O-]	REAL300008430602	0	50	1.0	-71.18	343.25	2.29	-68.89
NC(=O)CC1COC(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008430603	0	42	-1.0	-61.56	334.41	-2.99	-64.55
NC(=O)CC1COC(CNC(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008430603	1	42	-1.0	-61.56	334.41	-2.99	-64.55
NC(=O)CC1COC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430604	0	46	-1.0	-58.74	364.49	2.78	-55.96
CCCN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)C1=CC=CC=C1	REAL300008430605	0	50	-1.0	-58.02	379.67	12.29	-45.73
O=C([O-])C1(C(=O)NC2=CN(C3CCS(=O)(=O)C3)N=C2)C[NH2+]CCO1	REAL300008430606	0	41	-1.0	-60.91	342.94	-1.46	-62.37
O=C([O-])C1(C(=O)NC2=CN(C3CCS(=O)(=O)C3)N=C2)CNCCO1	REAL300008430606	1	41	-1.0	-60.91	342.94	-1.46	-62.37
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300008430607	0	40	0.0	-74.54	336.81	-0.62	-75.16
[NH3+][C@@H](CC(=O)NC1=CN(C2CCS(=O)(=O)C2)N=C1)C(=O)[O-]	REAL300008430608	0	37	0.0	-45.62	314.01	-1.21	-46.83
O=C([O-])C1CC12CCC(C(=O)NC1=CN(C3CCS(=O)(=O)C3)N=C1)C2	REAL300008430609	0	45	-1.0	-68.92	372.78	4.33	-64.59
O=C([O-])C1(C(=O)N2CCOC(C3=NOC(C4CCCC4)=N3)C2)C[NH2+]CCO1	REAL300008430610	0	50	-1.0	-50.85	384.28	1.56	-49.29
O=C([O-])C1(C(=O)N2CCOC(C3=NOC(C4CCCC4)=N3)C2)CNCCO1	REAL300008430610	1	50	-1.0	-50.85	384.28	1.56	-49.29
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCOC(C2=NOC(C3CCCC3)=N2)C1	REAL300008430611	0	49	0.0	-65.50	382.11	2.42	-63.08
[NH3+][C@@H](CC(=O)N1CCOC(C2=NOC(C3CCCC3)=N2)C1)C(=O)[O-]	REAL300008430612	0	46	0.0	-34.67	362.46	2.00	-32.67
O=C([O-])C1CC12CCC(C(=O)N1CCOC(C3=NOC(C4CCCC4)=N3)C1)C2	REAL300008430613	0	54	-1.0	-49.85	414.34	7.25	-42.60
O=C([O-])C1(C(=O)NCCCNS(=O)(=O)C2CC2)C[NH2+]CCO1	REAL300008430614	0	42	-1.0	-52.88	352.90	-2.00	-54.88
O=C([O-])C1(C(=O)NCCCNS(=O)(=O)C2CC2)CNCCO1	REAL300008430614	1	42	-1.0	-52.88	352.90	-2.00	-54.88
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCCCNS(=O)(=O)C1CC1	REAL300008430615	0	41	0.0	-69.66	348.76	-1.18	-70.84
O=C([O-])C1CC12CCC(C(=O)NCCCNS(=O)(=O)C1CC1)C2	REAL300008430616	0	46	-1.0	-66.33	383.22	3.76	-62.57
CCN(CC1CCOCC1)C(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008430617	0	44	-1.0	-49.17	317.26	2.80	-46.37
CCN(CC1CCOCC1)C(=O)C1(C(=O)[O-])CNCCO1	REAL300008430617	1	44	-1.0	-49.17	317.26	2.80	-46.37
CCN(CC1CCOCC1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430618	0	48	-1.0	-58.06	356.77	8.69	-49.37
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1(CC2=CC=CC(Cl)=C2)CCOC1	REAL300008430619	0	44	0.0	-59.16	358.45	4.34	-54.82
[NH3+][C@@H](CC(=O)NC1(CC2=CC=CC(Cl)=C2)CCOC1)C(=O)[O-]	REAL300008430620	0	41	0.0	-32.20	336.06	3.75	-28.45
O=C([O-])C1CC12CCC(C(=O)NC1(CC3=CC=CC(Cl)=C3)CCOC1)C2	REAL300008430621	0	49	-1.0	-62.08	395.10	9.32	-52.76
N#CC1=CN(C2=CC=C(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C=C2)N=C1	REAL300008430622	0	39	-1.0	-55.60	337.43	3.84	-51.76
N#CC1=CN(C2=CC=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C2)N=C1	REAL300008430622	1	39	-1.0	-55.60	337.43	3.84	-51.76
N#CC1=CN(C2=CC=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=C2)N=C1	REAL300008430623	0	38	0.0	-68.01	331.48	4.68	-63.33
N#CC1=CN(C2=CC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2)N=C1	REAL300008430624	0	43	-1.0	-60.17	367.90	9.67	-50.50
COC(=O)C1(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC2=CC=CC=C2C1	REAL300008430625	0	43	0.0	-63.53	345.25	5.65	-57.88
COC(=O)C1(NC(=O)C[C@H]([NH3+])C(=O)[O-])CC2=CC=CC=C2C1	REAL300008430626	0	40	0.0	-37.89	324.75	5.01	-32.88
COC(=O)C1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300008430627	0	48	-1.0	-58.84	380.30	10.57	-48.27
O=C([O-])C1(C(=O)N2CCCC(C(=O)N3CC4CCC3C4)C2)C[NH2+]CCO1	REAL300008430628	0	52	-1.0	-52.93	380.29	4.94	-47.99
O=C([O-])C1(C(=O)N2CCCC(C(=O)N3CC4CCC3C4)C2)CNCCO1	REAL300008430628	1	52	-1.0	-52.93	380.29	4.94	-47.99
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300008430629	0	51	0.0	-67.87	379.62	5.70	-62.17
[NH3+][C@@H](CC(=O)N1CCCC(C(=O)N2CC3CCC2C3)C1)C(=O)[O-]	REAL300008430630	0	48	0.0	-34.43	359.57	5.27	-29.16
O=C([O-])C1CC12CCC(C(=O)N1CCCC(C(=O)N3CC4CCC3C4)C1)C2	REAL300008430631	0	56	-1.0	-49.13	412.88	10.58	-38.55
CC(C)OC1=CC(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=CC(C(F)(F)F)=C1	REAL300008430632	0	44	-1.0	-46.50	366.38	4.04	-42.46
CC(C)OC1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CC(C(F)(F)F)=C1	REAL300008430632	1	44	-1.0	-46.50	366.38	4.04	-42.46
CC(C)OC1=CC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008430633	0	43	0.0	-63.79	359.82	4.87	-58.92
CC(C)OC1=CC(NC(=O)C[C@H]([NH3+])C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008430634	0	40	0.0	-33.90	337.83	4.27	-29.63
CC(C)OC1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300008430635	0	48	-1.0	-53.85	394.06	9.78	-44.07
CC(C)C1=CC=C(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)C=C1C(F)(F)F	REAL300008430636	0	43	-1.0	-47.16	349.16	4.86	-42.30
CC(C)C1=CC=C(NC(=O)C2(C(=O)[O-])CNCCO2)C=C1C(F)(F)F	REAL300008430636	1	43	-1.0	-47.16	349.16	4.86	-42.30
CC(C)C1=CC=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=C1C(F)(F)F	REAL300008430637	0	42	0.0	-63.89	344.90	5.74	-58.15
CC(C)C1=CC=C(NC(=O)C[C@H]([NH3+])C(=O)[O-])C=C1C(F)(F)F	REAL300008430638	0	39	0.0	-35.15	322.53	5.13	-30.02
CC(C)C1=CC=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1C(F)(F)F	REAL300008430639	0	47	-1.0	-52.01	379.05	10.66	-41.35
CC1=CC=C2C(CC(C)(C)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])=CNC2=C1	REAL300008430640	0	49	0.0	-61.50	374.95	5.36	-56.14
CC1=CC=C2C(CC(C)(C)NC(=O)C[C@H]([NH3+])C(=O)[O-])=CNC2=C1	REAL300008430641	0	46	0.0	-33.92	352.69	4.78	-29.14
CC1=CC=C2C(CC(C)(C)NC(=O)C3CCC4(CC4C(=O)[O-])C3)=CNC2=C1	REAL300008430642	0	54	-1.0	-61.80	411.08	10.33	-51.47
CC(C)C1=CC=C2OCCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C2=C1	REAL300008430643	0	44	0.0	-63.52	338.21	5.69	-57.83
CC(C)C1=CC=C2OCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2=C1	REAL300008430644	0	49	-1.0	-59.16	372.89	10.58	-48.58
CN1N=CC=C1C1CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CCN1CC1=CC=CC=C1	REAL300008430645	0	55	0.0	-64.40	422.47	5.24	-59.16
CN1N=CC=C1C1CN(C(=O)C[C@H]([NH3+])C(=O)[O-])CCN1CC1=CC=CC=C1	REAL300008430646	0	52	0.0	-34.15	390.72	4.48	-29.67
CC1=CC(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=C(Cl)C=C1C1CC1	REAL300008430647	0	41	-1.0	-50.54	339.63	5.43	-45.11
CC1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=C(Cl)C=C1C1CC1	REAL300008430647	1	41	-1.0	-50.54	339.63	5.43	-45.11
CC1=CC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])=C(Cl)C=C1C1CC1	REAL300008430648	0	40	0.0	-61.19	332.73	6.25	-54.94
CC1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C(Cl)C=C1C1CC1	REAL300008430649	0	45	-1.0	-46.31	366.00	11.15	-35.16
CC1=CC=C(C(C)C)C=C1NC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008430650	0	43	-1.0	-51.47	336.64	5.00	-46.47
CC1=CC=C(C(C)C)C=C1NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008430650	1	43	-1.0	-51.47	336.64	5.00	-46.47
CC1=CC=C(C(C)C)C=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430651	0	47	-1.0	-49.64	363.78	10.71	-38.93
COC(=O)CN1C=CC2=CC(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)=CC=C21	REAL300008430652	0	44	-1.0	-60.51	368.34	5.11	-55.40
COC(=O)CN1C=CC2=CC(NC(=O)C3(C(=O)[O-])CNCCO3)=CC=C21	REAL300008430652	1	44	-1.0	-60.51	368.34	5.11	-55.40
COC(=O)CN1C=CC2=CC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])=CC=C21	REAL300008430653	0	43	0.0	-68.25	362.12	5.94	-62.31
COC(=O)CN1C=CC2=CC(NC(=O)C[C@H]([NH3+])C(=O)[O-])=CC=C21	REAL300008430654	0	40	0.0	-39.51	339.89	5.32	-34.19
COC(=O)CN1C=CC2=CC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)=CC=C21	REAL300008430655	0	48	-1.0	-70.83	398.13	10.89	-59.94
O=C([O-])C1(C(=O)NCC2=CC=CC(N3C=CC=N3)=N2)C[NH2+]CCO1	REAL300008430656	0	40	-1.0	-56.76	339.51	2.81	-53.95
O=C([O-])C1(C(=O)NCC2=CC=CC(N3C=CC=N3)=N2)CNCCO1	REAL300008430656	1	40	-1.0	-56.76	339.51	2.81	-53.95
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=CC=CC(N2C=CC=N2)=N1	REAL300008430657	0	39	0.0	-63.33	333.40	3.57	-59.76
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=CC(N3C=CC=N3)=N1)C2	REAL300008430658	0	44	-1.0	-61.95	369.41	8.52	-53.43
O=C([O-])C1(C(=O)NC2=CN=C(C3CCCC3)N=C2)C[NH2+]CCO1	REAL300008430659	0	42	-1.0	-48.41	333.83	2.75	-45.66
O=C([O-])C1(C(=O)NC2=CN=C(C3CCCC3)N=C2)CNCCO1	REAL300008430659	1	42	-1.0	-48.41	333.83	2.75	-45.66
O=C([O-])C1CC12CCC(C(=O)NC1=CN=C(C3CCCC3)N=C1)C2	REAL300008430660	0	46	-1.0	-59.12	363.86	8.54	-50.58
CCCN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C1=NC=CS1	REAL300008430661	0	40	-1.0	-55.75	328.78	10.49	-45.26
O=C([O-])C1(C(=O)NCCC2=CC=C(CO)C=C2)C[NH2+]CCO1	REAL300008430662	0	41	-1.0	-52.08	338.13	0.49	-51.59
O=C([O-])C1(C(=O)NCCC2=CC=C(CO)C=C2)CNCCO1	REAL300008430662	1	41	-1.0	-52.08	338.13	0.49	-51.59
O=C([O-])C1CC12CCC(C(=O)NCCC1=CC=C(CO)C=C1)C2	REAL300008430663	0	45	-1.0	-60.75	368.04	6.19	-54.56
[NH3+]C1CN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC2=CC=CC=C21	REAL300008430664	0	41	0.0	-54.36	309.03	1.76	-52.60
[NH3+]C1CN(C(=O)C2(C(=O)[O-])CNCCO2)CC2=CC=CC=C21	REAL300008430664	1	41	0.0	-54.36	309.03	1.76	-52.60
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CC=CC(F)=C1OC(F)(F)F	REAL300008430665	0	34	0.0	-61.03	307.21	3.35	-57.68
[NH3+][C@@H](CC(=O)NC1=CC=CC(F)=C1OC(F)(F)F)C(=O)[O-]	REAL300008430666	0	31	0.0	-36.06	284.27	2.73	-33.33
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC(F)=C1OC(F)(F)F)C2	REAL300008430667	0	39	-1.0	-46.90	341.17	8.22	-38.68
NC(=O)C1=CC(Cl)=CC(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=C1	REAL300008430668	0	35	-1.0	-57.55	307.18	-0.57	-58.12
NC(=O)C1=CC(Cl)=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL300008430668	1	35	-1.0	-57.55	307.18	-0.57	-58.12
NC(=O)C1=CC(Cl)=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL300008430669	0	39	-1.0	-68.02	339.17	5.27	-62.75
CC(C)C1=CC=C(O)C(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=C1	REAL300008430670	0	41	-1.0	-51.50	326.35	1.31	-50.19
CC(C)C1=CC=C(O)C(NC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL300008430670	1	41	-1.0	-51.50	326.35	1.31	-50.19
CC(C)C1=CC=C(O)C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL300008430671	0	45	-1.0	-48.06	355.20	7.10	-40.96
O=C([O-])C1(C(=O)NCC2(C3=CC=CC=N3)CC3(CCC3)C2)C[NH2+]CCO1	REAL300008430672	0	50	-1.0	-50.81	388.43	4.96	-45.85
O=C([O-])C1(C(=O)NCC2(C3=CC=CC=N3)CC3(CCC3)C2)CNCCO1	REAL300008430672	1	50	-1.0	-50.81	388.43	4.96	-45.85
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1(C2=CC=CC=N2)CC2(CCC2)C1	REAL300008430673	0	49	0.0	-59.18	383.66	5.76	-53.42
[NH3+][C@@H](CC(=O)NCC1(C2=CC=CC=N2)CC2(CCC2)C1)C(=O)[O-]	REAL300008430674	0	46	0.0	-31.54	361.48	5.17	-26.37
O=C([O-])C1CC12CCC(C(=O)NCC1(C3=CC=CC=N3)CC3(CCC3)C1)C2	REAL300008430675	0	54	-1.0	-47.42	416.25	10.70	-36.72
O=C([O-])C1(C(=O)NC2=CN(CC3=CC=C(F)C=C3F)C(=O)C=C2)C[NH2+]CCO1	REAL300008430676	0	44	-1.0	-49.85	375.88	4.87	-44.98
O=C([O-])C1(C(=O)NC2=CN(CC3=CC=C(F)C=C3F)C(=O)C=C2)CNCCO1	REAL300008430676	1	44	-1.0	-49.85	375.88	4.87	-44.98
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CN(CC2=CC=C(F)C=C2F)C(=O)C=C1	REAL300008430677	0	43	0.0	-68.27	369.87	5.71	-62.56
[NH3+][C@@H](CC(=O)NC1=CN(CC2=CC=C(F)C=C2F)C(=O)C=C1)C(=O)[O-]	REAL300008430678	0	40	0.0	-48.73	344.47	5.24	-43.49
O=C([O-])C1(C(=O)NCC2=CC=NC(N3CC[NH2+]CC3)=C2)C[NH2+]CCO1	REAL300008430679	0	48	0.0	-79.29	371.07	0.61	-78.68
O=C([O-])C1(C(=O)NCC2=CC=NC(N3CC[NH2+]CC3)=C2)CNCCO1	REAL300008430679	1	48	0.0	-79.29	371.07	0.61	-78.68
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300008430680	0	47	1.0	-95.26	366.98	1.41	-93.85
[NH3+][C@@H](CC(=O)NCC1=CC=NC(N2CC[NH2+]CC2)=C1)C(=O)[O-]	REAL300008430681	0	44	1.0	-74.97	344.75	0.80	-74.17
CC1=NC(C2=CC=C(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C=C2)=CO1	REAL300008430682	0	40	-1.0	-52.85	334.27	1.22	-51.63
CC1=NC(C2=CC=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C2)=CO1	REAL300008430682	1	40	-1.0	-52.85	334.27	1.22	-51.63
CC1=NC(C2=CC=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=C2)=CO1	REAL300008430683	0	39	0.0	-65.94	328.01	2.06	-63.88
CC1=NC(C2=CC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2)=CO1	REAL300008430684	0	44	-1.0	-60.78	364.73	7.04	-53.74
[NH3+]CC12CCC(CNC(=O)C3(C(=O)[O-])C[NH2+]CCO3)(CC1)CO2	REAL300008430685	0	48	0.0	-80.19	350.55	-0.40	-80.59
[NH3+]CC12CCC(CNC(=O)C3(C(=O)[O-])CNCCO3)(CC1)CO2	REAL300008430685	1	48	0.0	-80.19	350.55	-0.40	-80.59
CCOC(=O)N1CCCC2=CC=C(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C=C21	REAL300008430686	0	49	-1.0	-57.24	382.68	4.28	-52.96
CCOC(=O)N1CCCC2=CC=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C21	REAL300008430686	1	49	-1.0	-57.24	382.68	4.28	-52.96
CCOC(=O)N1CCCC2=CC=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C=C21	REAL300008430687	0	48	0.0	-63.12	379.00	5.16	-57.96
CCOC(=O)N1CCCC2=CC=C(NC(=O)C[C@H]([NH3+])C(=O)[O-])C=C21	REAL300008430688	0	45	0.0	-34.92	356.05	4.58	-30.34
CCOC(=O)N1CCCC2=CC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C21	REAL300008430689	0	53	-1.0	-53.72	412.57	10.10	-43.62
CC1(C)CCCCC1(C)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430690	0	50	-1.0	-56.39	349.66	9.43	-46.96
CCCCS(=O)(=O)N1CCC(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC1	REAL300008430691	0	51	-1.0	-54.03	405.55	0.95	-53.08
CCCCS(=O)(=O)N1CCC(NC(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL300008430691	1	51	-1.0	-54.03	405.55	0.95	-53.08
CCCCS(=O)(=O)N1CCC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC1	REAL300008430692	0	50	0.0	-67.70	399.43	1.70	-66.00
CCCCS(=O)(=O)N1CCC(NC(=O)C[C@H]([NH3+])C(=O)[O-])CC1	REAL300008430693	0	47	0.0	-39.79	376.65	1.11	-38.68
CCCCS(=O)(=O)N1CCC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL300008430694	0	55	-1.0	-63.63	434.91	6.66	-56.97
C[C@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CC=C1F	REAL300008430695	0	41	-1.0	-53.92	333.56	8.98	-44.94
N#CC1=CC=C([C@H]2C[C@H](NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C2)C=C1	REAL300008430696	0	42	-1.0	-51.44	348.38	4.74	-46.70
N#CC1=CC=C([C@H]2C[C@H](NC(=O)C3(C(=O)[O-])CNCCO3)C2)C=C1	REAL300008430696	1	42	-1.0	-51.44	348.38	4.74	-46.70
N#CC1=CC=C([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C2)C=C1	REAL300008430697	0	41	0.0	-65.10	342.34	5.49	-59.61
N#CC1=CC=C([C@H]2C[C@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)C2)C=C1	REAL300008430698	0	46	-1.0	-56.61	377.39	10.42	-46.19
CCOC(=O)C(F)(CNC(=O)C1(C(=O)[O-])C[NH2+]CCO1)C(C)C	REAL300008430699	0	45	-1.0	-54.92	358.66	3.04	-51.88
CCOC(=O)C(F)(CNC(=O)C1(C(=O)[O-])CNCCO1)C(C)C	REAL300008430699	1	45	-1.0	-54.92	358.66	3.04	-51.88
CCOC(=O)C(F)(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C	REAL300008430700	0	44	0.0	-61.50	352.53	3.80	-57.70
CCOC(=O)C(F)(CNC(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)C	REAL300008430701	0	49	-1.0	-61.36	384.75	8.75	-52.61
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC[NH2+]CC1C1=CC=CC=C1	REAL300008430702	0	46	1.0	-97.92	335.07	5.21	-92.71
CC(C)(C)C1(CO)CCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008430703	0	47	-1.0	-54.63	331.35	1.35	-53.28
CC(C)(C)C1(CO)CCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008430703	1	47	-1.0	-54.63	331.35	1.35	-53.28
CC(C)(C)C1(CO)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430704	0	51	-1.0	-51.36	365.03	6.50	-44.86
O=C([O-])C1(C(=O)N2CC[C@@]3(C2)C[C@H](O)CNC3=O)C[NH2+]CCO1	REAL300008430705	0	43	-1.0	-70.79	328.36	-2.52	-73.31
O=C([O-])C1(C(=O)N2CC[C@@]3(C2)C[C@H](O)CNC3=O)CNCCO1	REAL300008430705	1	43	-1.0	-70.79	328.36	-2.52	-73.31
O=C([O-])C1CC12CCC(C(=O)N1CC[C@@]3(C1)C[C@H](O)CNC3=O)C2	REAL300008430706	0	47	-1.0	-76.50	358.31	3.09	-73.41
O=C([O-])C1(C(=O)NCC2=NC(C3=CC=C(F)C=C3)=CS2)C[NH2+]CCO1	REAL300008430707	0	40	-1.0	-49.21	353.33	3.20	-46.01
O=C([O-])C1(C(=O)NCC2=NC(C3=CC=C(F)C=C3)=CS2)CNCCO1	REAL300008430707	1	40	-1.0	-49.21	353.33	3.20	-46.01
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=NC(C2=CC=C(F)C=C2)=CS1	REAL300008430708	0	39	0.0	-65.43	347.22	3.96	-61.47
[NH3+][C@@H](CC(=O)NCC1=NC(C2=CC=C(F)C=C2)=CS1)C(=O)[O-]	REAL300008430709	0	36	0.0	-36.20	324.98	3.34	-32.86
O=C([O-])C1CC12CCC(C(=O)NCC1=NC(C3=CC=C(F)C=C3)=CS1)C2	REAL300008430710	0	44	-1.0	-57.36	383.22	8.91	-48.45
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC(C1=CC(Cl)=CC=C1Cl)C1CC1	REAL300008430711	0	40	0.0	-59.32	348.86	6.34	-52.98
[NH3+][C@@H](CC(=O)NC(C1=CC(Cl)=CC=C1Cl)C1CC1)C(=O)[O-]	REAL300008430712	0	37	0.0	-31.94	329.06	6.56	-25.38
O=C([O-])C1CC12CCC(C(=O)NC(C1=CC(Cl)=CC=C1Cl)C1CC1)C2	REAL300008430713	0	45	-1.0	-55.12	389.11	12.16	-42.96
O=C([O-])C1(C(=O)N2CCN([C@@H]3COC[C@H]3O)CC2)C[NH2+]CCO1	REAL300008430714	0	45	-1.0	-50.89	331.83	-3.65	-54.54
O=C([O-])C1(C(=O)N2CCN([C@@H]3COC[C@H]3O)CC2)CNCCO1	REAL300008430714	1	45	-1.0	-50.89	331.83	-3.65	-54.54
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCN([C@@H]2COC[C@H]2O)CC1	REAL300008430715	0	44	0.0	-62.74	327.18	-2.83	-65.57
O=C([O-])C1CC12CCC(C(=O)N1CCN([C@@H]3COC[C@H]3O)CC1)C2	REAL300008430716	0	49	-1.0	-58.72	365.12	2.21	-56.51
O=C([O-])C1(C(=O)N2CC(CO)OC(C(F)(F)F)C2)C[NH2+]CCO1	REAL300008430717	0	39	-1.0	-41.35	311.94	-1.21	-42.56
O=C([O-])C1(C(=O)N2CC(CO)OC(C(F)(F)F)C2)CNCCO1	REAL300008430717	1	39	-1.0	-41.35	311.94	-1.21	-42.56
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CC(CO)OC(C(F)(F)F)C1	REAL300008430718	0	38	0.0	-65.09	310.98	-0.44	-65.53
[NH3+][C@@H](CC(=O)N1CC(CO)OC(C(F)(F)F)C1)C(=O)[O-]	REAL300008430719	0	35	0.0	-34.90	291.32	-0.86	-35.76
O=C([O-])C1CC12CCC(C(=O)N1CC(CO)OC(C(F)(F)F)C1)C2	REAL300008430720	0	43	-1.0	-47.49	346.17	4.54	-42.95
O=C([O-])C1CC12CCC(C(=O)N1CC[C@@H]3C(=O)OC[C@@]31CO)C2	REAL300008430721	0	43	-1.0	-63.53	334.48	6.67	-56.86
COC(=O)[C@@H]1[C@@H](C)OCCN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430722	0	45	-1.0	-51.27	345.20	7.73	-43.54
O=C([O-])C1(C(=O)NC2=CN=C3NC(=O)COC3=C2)C[NH2+]CCO1	REAL300008430723	0	36	-1.0	-49.30	303.57	-1.49	-50.79
O=C([O-])C1(C(=O)NC2=CN=C3NC(=O)COC3=C2)CNCCO1	REAL300008430723	1	36	-1.0	-49.30	303.57	-1.49	-50.79
O=C([O-])C1CC12CCC(C(=O)NC1=CN=C3NC(=O)COC3=C1)C2	REAL300008430724	0	40	-1.0	-53.12	331.54	4.28	-48.84
CC1=CC=C(F)C(C2CCCN2C(=O)[C@@H]([NH3+])CCC(=O)[O-])=C1F	REAL300008430725	0	43	0.0	-58.64	342.68	7.19	-51.45
CC1=CC=C(F)C(C2CCCN2C(=O)C[C@H]([NH3+])C(=O)[O-])=C1F	REAL300008430726	0	40	0.0	-31.13	323.19	6.77	-24.36
CC1=CC=C(F)C(C2CCCN2C(=O)C2CCC3(CC3C(=O)[O-])C2)=C1F	REAL300008430727	0	48	-1.0	-49.90	376.39	12.05	-37.85
O=C([O-])C1(C(=O)N2CCC3(CNC4=CC=CC=C43)CC2)C[NH2+]CCO1	REAL300008430728	0	47	-1.0	-50.69	346.82	3.74	-46.95
O=C([O-])C1(C(=O)N2CCC3(CNC4=CC=CC=C43)CC2)CNCCO1	REAL300008430728	1	47	-1.0	-50.69	346.82	3.74	-46.95
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC2(CNC3=CC=CC=C32)CC1	REAL300008430729	0	46	0.0	-62.52	344.14	4.59	-57.93
[NH3+][C@@H](CC(=O)N1CCC2(CNC3=CC=CC=C32)CC1)C(=O)[O-]	REAL300008430730	0	43	0.0	-33.20	324.84	4.16	-29.04
CC1(C)CC2=CC=CC(CNC(=O)C3(C(=O)[O-])C[NH2+]CCO3)=C2O1	REAL300008430731	0	45	-1.0	-53.29	361.14	3.59	-49.70
CC1(C)CC2=CC=CC(CNC(=O)C3(C(=O)[O-])CNCCO3)=C2O1	REAL300008430731	1	45	-1.0	-53.29	361.14	3.59	-49.70
CC1(C)CC2=CC=CC(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])=C2O1	REAL300008430732	0	44	0.0	-61.49	354.94	4.35	-57.14
CC1(C)CC2=CC=CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)=C2O1	REAL300008430733	0	49	-1.0	-58.86	390.93	9.30	-49.56
CC1=CC=CC=C1CCCNC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008430734	0	43	-1.0	-49.72	342.19	4.41	-45.31
CC1=CC=CC=C1CCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL300008430734	1	43	-1.0	-49.72	342.19	4.41	-45.31
CC1=CC=CC=C1CCCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430735	0	47	-1.0	-57.65	372.08	10.12	-47.53
O=C([O-])C1(C(=O)NC2CCS(=O)(=O)C3(CC(CO)C3)C2)C[NH2+]CCO1	REAL300008430736	0	48	-1.0	-52.65	380.54	-2.66	-55.31
O=C([O-])C1(C(=O)NC2CCS(=O)(=O)C3(CC(CO)C3)C2)CNCCO1	REAL300008430736	1	48	-1.0	-52.65	380.54	-2.66	-55.31
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1CCS(=O)(=O)C2(CC(CO)C2)C1	REAL300008430737	0	47	0.0	-71.59	374.43	-1.90	-73.49
[NH3+][C@@H](CC(=O)NC1CCS(=O)(=O)C2(CC(CO)C2)C1)C(=O)[O-]	REAL300008430738	0	44	0.0	-42.13	351.61	-2.66	-44.79
O=C([O-])C1CC12CCC(C(=O)NC1CCS(=O)(=O)C3(CC(CO)C3)C1)C2	REAL300008430739	0	52	-1.0	-55.59	408.32	3.01	-52.58
CC1NC(=O)OC12CCN(C(=O)C1(C(=O)[O-])C[NH2+]CCO1)C2	REAL300008430740	0	40	-1.0	-66.41	307.46	-0.95	-67.36
CC1NC(=O)OC12CCN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL300008430740	1	40	-1.0	-66.41	307.46	-0.95	-67.36
CC1NC(=O)OC12CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL300008430741	0	44	-1.0	-65.72	341.17	4.69	-61.03
CC(C)(C)[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)C(=O)N1	REAL300008430742	0	44	-1.0	-62.47	336.76	-0.04	-62.51
CC(C)(C)[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CNCCO2)C(=O)N1	REAL300008430742	1	44	-1.0	-62.47	336.76	-0.04	-62.51
CC(C)(C)[C@@H]1C[C@H](NC(=O)C2CCC3(CC3C(=O)[O-])C2)C(=O)N1	REAL300008430743	0	48	-1.0	-72.53	368.76	5.70	-66.83
NC1=NC(N2CCC(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)CC2)=NN1	REAL300008430744	0	45	0.0	-55.55	350.54	3.06	-52.49
NC1=NNC(N2CCC(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)CC2)=N1	REAL300008430744	1	44	-1.0	-54.46	349.97	1.74	-52.72
NC1=NC(N2CCC(NC(=O)C3(C(=O)[O-])CNCCO3)CC2)=NN1	REAL300008430744	1	44	-1.0	-54.46	349.97	1.74	-52.72
NC1=NC(N2CCC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC2)=NN1	REAL300008430745	0	43	0.0	-65.02	343.37	2.52	-62.50
NC1=NNC(N2CCC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC2)=N1	REAL300008430745	1	43	0.0	-65.02	343.37	2.52	-62.50
NC1=NC(N2CCC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)=NN1	REAL300008430746	0	48	-1.0	-60.66	379.36	7.48	-53.18
NC1=NNC(N2CCC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)=N1	REAL300008430746	1	48	-1.0	-60.66	379.36	7.48	-53.18
O=C([O-])C1(C(=O)N2CCN(C(=O)CC3=CC=CC(F)=C3)CC2)C[NH2+]CCO1	REAL300008430747	0	48	-1.0	-53.60	377.01	5.07	-48.53
O=C([O-])C1(C(=O)N2CCN(C(=O)CC3=CC=CC(F)=C3)CC2)CNCCO1	REAL300008430747	1	48	-1.0	-53.60	377.01	5.07	-48.53
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300008430748	0	47	0.0	-68.96	374.29	5.83	-63.13
[NH3+][C@@H](CC(=O)N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1)C(=O)[O-]	REAL300008430749	0	44	0.0	-40.86	355.33	5.39	-35.47
O=C([O-])C1CC12CCC(C(=O)N1CCN(C(=O)CC3=CC=CC(F)=C3)CC1)C2	REAL300008430750	0	52	-1.0	-52.84	409.58	10.80	-42.04
CS(=O)(=O)C1=C2CN(C(=O)C3(C(=O)[O-])C[NH2+]CCO3)CCN2N=C1	REAL300008430751	0	41	-1.0	-48.52	334.07	-1.31	-49.83
CS(=O)(=O)C1=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCN2N=C1	REAL300008430751	1	41	-1.0	-48.52	334.07	-1.31	-49.83
CS(=O)(=O)C1=C2CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CCN2N=C1	REAL300008430752	0	40	0.0	-74.41	329.19	-0.58	-74.99
CS(=O)(=O)C1=C2CN(C(=O)C[C@H]([NH3+])C(=O)[O-])CCN2N=C1	REAL300008430753	0	37	0.0	-44.35	312.16	-0.95	-45.30
CS(=O)(=O)C1=C2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCN2N=C1	REAL300008430754	0	45	-1.0	-60.65	365.47	4.41	-56.24
CC1=CC(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=CN=C1Br	REAL300008430755	0	36	-1.0	-47.62	318.38	1.66	-45.96
CC1=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=CN=C1Br	REAL300008430755	1	36	-1.0	-47.62	318.38	1.66	-45.96
CC1=CC(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])=CN=C1Br	REAL300008430756	0	35	0.0	-64.77	312.28	2.42	-62.35
CC1=CC(CNC(=O)C[C@H]([NH3+])C(=O)[O-])=CN=C1Br	REAL300008430757	0	32	0.0	-35.57	289.49	1.82	-33.75
CC1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=CN=C1Br	REAL300008430758	0	40	-1.0	-56.33	348.28	7.37	-48.96
CC1=C(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)N=C(C2=CC=CC=C2)O1	REAL300008430759	0	43	-1.0	-49.22	359.11	1.53	-47.69
CC1=C(CNC(=O)C2(C(=O)[O-])CNCCO2)N=C(C2=CC=CC=C2)O1	REAL300008430759	1	43	-1.0	-49.22	359.11	1.53	-47.69
CC1=C(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])N=C(C2=CC=CC=C2)O1	REAL300008430760	0	42	0.0	-61.06	354.99	2.33	-58.73
CC1=C(CNC(=O)C[C@H]([NH3+])C(=O)[O-])N=C(C2=CC=CC=C2)O1	REAL300008430761	0	39	0.0	-34.89	332.75	1.71	-33.18
CC1=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)N=C(C2=CC=CC=C2)O1	REAL300008430762	0	47	-1.0	-61.52	391.00	7.28	-54.24
O=C([O-])C1CC12CCC(C(=O)N(CC1CCOCC1)C1CCC1)C2	REAL300008430763	0	52	-1.0	-50.37	374.24	9.80	-40.57
CC(C)CC1=CC(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=NO1	REAL300008430764	0	42	-1.0	-46.97	340.19	2.58	-44.39
CC(C)CC1=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=NO1	REAL300008430764	1	42	-1.0	-46.97	340.19	2.58	-44.39
CC(C)CC1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=NO1	REAL300008430765	0	46	-1.0	-59.13	372.07	8.33	-50.80
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C2)=C1	REAL300008430766	0	47	-1.0	-55.68	382.35	4.98	-50.70
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)C3(C(=O)[O-])CNCCO3)C2)=C1	REAL300008430766	1	47	-1.0	-55.68	382.35	4.98	-50.70
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C2)=C1	REAL300008430767	0	46	0.0	-64.98	376.28	5.74	-59.24
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C2)=C1	REAL300008430768	0	43	0.0	-37.77	354.01	5.13	-32.64
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)C2)=C1	REAL300008430769	0	51	-1.0	-56.10	410.09	10.62	-45.48
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008430770	0	47	-1.0	-44.96	350.90	2.74	-42.22
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008430770	1	47	-1.0	-44.96	350.90	2.74	-42.22
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C1	REAL300008430771	0	46	0.0	-72.17	353.81	3.57	-68.60
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)C[C@H]([NH3+])C(=O)[O-])C1	REAL300008430772	0	43	0.0	-38.20	334.27	3.07	-35.13
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430773	0	51	-1.0	-56.46	389.74	8.53	-47.93
O=C([O-])C1CC12CCC(C(=O)N1CC[C@H]3NC(=O)O[C@H]3C1)C2	REAL300008430774	0	41	-1.0	-60.63	318.22	4.35	-56.28
O=C([O-])C1(C(=O)NCC2=CC=C(CC3=CC=CC=C3)C=C2)C[NH2+]CCO1	REAL300008430775	0	47	-1.0	-51.07	386.62	6.85	-44.22
O=C([O-])C1(C(=O)NCC2=CC=C(CC3=CC=CC=C3)C=C2)CNCCO1	REAL300008430775	1	47	-1.0	-51.07	386.62	6.85	-44.22
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300008430776	0	46	0.0	-61.08	380.51	7.60	-53.48
[NH3+][C@@H](CC(=O)NCC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008430777	0	43	0.0	-32.79	358.12	7.00	-25.79
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(CC3=CC=CC=C3)C=C1)C2	REAL300008430778	0	51	-1.0	-57.80	416.51	12.55	-45.25
CC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=NC=CC=C1F	REAL300008430779	0	40	-1.0	-59.77	333.25	7.19	-52.58
CC1=CC2=CC=CC=C2C(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300008430780	0	39	-1.0	-57.20	318.51	4.85	-52.35
CC1=CC2=CC=CC=C2C(NC(=O)C2(C(=O)[O-])CNCCO2)=N1	REAL300008430780	1	39	-1.0	-57.20	318.51	4.85	-52.35
CC1=CC2=CC=CC=C2C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL300008430781	0	43	-1.0	-52.80	346.27	10.56	-42.24
O=C([O-])C1(C(=O)NCCNS(=O)(=O)C(F)F)C[NH2+]CCO1	REAL300008430782	0	35	-1.0	-53.16	315.68	-4.08	-57.24
O=C([O-])C1(C(=O)NCCNS(=O)(=O)C(F)F)CNCCO1	REAL300008430782	1	35	-1.0	-53.16	315.68	-4.08	-57.24
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCCNS(=O)(=O)C(F)F	REAL300008430783	0	34	0.0	-70.03	309.55	-3.33	-73.36
O=C([O-])C1CC12CCC(C(=O)NCCNS(=O)(=O)C(F)F)C2	REAL300008430784	0	39	-1.0	-66.40	345.56	1.62	-64.78
CC1CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CCC2=CC(Br)=C(O)C=C21	REAL300008430785	0	44	0.0	-63.22	348.31	4.65	-58.57
CC1CN(C(=O)C[C@H]([NH3+])C(=O)[O-])CCC2=CC(Br)=C(O)C=C21	REAL300008430786	0	41	0.0	-34.28	328.64	4.24	-30.04
O=C([O-])C1(C(=O)N2CCC(OC3=CC=CC=N3)CC2)C[NH2+]CCO1	REAL300008430787	0	44	-1.0	-53.12	343.07	2.56	-50.56
O=C([O-])C1(C(=O)N2CCC(OC3=CC=CC=N3)CC2)CNCCO1	REAL300008430787	1	44	-1.0	-53.12	343.07	2.56	-50.56
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC(OC2=CC=CC=N2)CC1	REAL300008430788	0	43	0.0	-62.85	338.43	3.26	-59.59
O=C([O-])C1CC12CCC(C(=O)N1CCC(OC3=CC=CC=N3)CC1)C2	REAL300008430789	0	48	-1.0	-63.01	373.92	8.25	-54.76
CCOC(=O)CC1CCCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008430790	0	46	-1.0	-54.67	349.11	4.42	-50.25
CCOC(=O)CC1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008430790	1	46	-1.0	-54.67	349.11	4.42	-50.25
CCOC(=O)CC1CCCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C1	REAL300008430791	0	45	0.0	-65.55	346.54	5.28	-60.27
CCOC(=O)CC1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430792	0	50	-1.0	-50.17	382.52	10.30	-39.87
CCOC(=O)C1CC12CCN(C(=O)C1(C(=O)[O-])C[NH2+]CCO1)CC2	REAL300008430793	0	47	-1.0	-57.46	358.34	5.08	-52.38
CCOC(=O)C1CC12CCN(C(=O)C1(C(=O)[O-])CNCCO1)CC2	REAL300008430793	1	47	-1.0	-57.46	358.34	5.08	-52.38
CCOC(=O)C1CC12CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC2	REAL300008430794	0	46	0.0	-64.16	355.00	5.89	-58.27
CCOC(=O)C1CC12CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)CC2	REAL300008430795	0	51	-1.0	-53.06	390.23	10.85	-42.21
O=C([O-])C1(C(=O)NCC2CCC3COCCC3C2)C[NH2+]CCO1	REAL300008430796	0	48	-1.0	-50.77	351.66	2.46	-48.31
O=C([O-])C1(C(=O)NCC2CCC3COCCC3C2)CNCCO1	REAL300008430796	1	48	-1.0	-50.77	351.66	2.46	-48.31
O=C([O-])C1CC12CCC(C(=O)NCC1CCC3COCCC3C1)C2	REAL300008430797	0	52	-1.0	-47.65	379.44	8.12	-39.53
CC1CC2CCCCC2N(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430798	0	51	-1.0	-58.02	364.32	10.90	-47.12
O=C([O-])C1(C(=O)NC[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C[NH2+]CCO1	REAL300008430799	0	47	-1.0	-48.82	348.61	4.22	-44.60
O=C([O-])C1(C(=O)NC[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CNCCO1	REAL300008430799	1	47	-1.0	-48.82	348.61	4.22	-44.60
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL300008430800	0	46	0.0	-59.53	344.49	5.03	-54.50
[NH3+][C@@H](CC(=O)NC[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300008430801	0	43	0.0	-32.15	322.25	4.41	-27.74
O=C([O-])C1CC12CCC(C(=O)NC[C@H]1C3CCC(CC3)[C@@H]1C(F)(F)F)C2	REAL300008430802	0	51	-1.0	-49.49	378.33	9.93	-39.56
O=C([O-])C1(C(=O)NC2=CN=C3C=C(Br)C=CN23)C[NH2+]CCO1	REAL300008430803	0	34	-1.0	-49.19	305.29	4.22	-44.97
O=C([O-])C1(C(=O)NC2=CN=C3C=C(Br)C=CN23)CNCCO1	REAL300008430803	1	34	-1.0	-49.19	305.29	4.22	-44.97
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CN=C2C=C(Br)C=CN12	REAL300008430804	0	33	0.0	-67.98	299.19	5.06	-62.92
[NH3+][C@@H](CC(=O)NC1=CN=C2C=C(Br)C=CN12)C(=O)[O-]	REAL300008430805	0	30	0.0	-37.48	276.81	4.45	-33.03
O=C([O-])C1CC12CCC(C(=O)NC1=CN=C3C=C(Br)C=CN13)C2	REAL300008430806	0	38	-1.0	-50.42	333.06	9.95	-40.47
O=C([O-])C1(C(=O)NCC2CCCC3=NC=CN32)C[NH2+]CCO1	REAL300008430807	0	43	1.0	-69.13	324.61	4.80	-64.33
O=C([O-])C1(C(=O)NCC2CCCC3=[NH+]C=CN32)C[NH2+]CCO1	REAL300008430807	1	43	1.0	-69.13	324.61	4.80	-64.33
O=C([O-])C1CC12CCC(C(=O)NCC1CCCC3=NC=CN31)C2	REAL300008430808	0	46	0.0	-63.99	351.28	9.15	-54.84
O=C([O-])C1CC12CCC(C(=O)NCC1CCCC3=[NH+]C=CN31)C2	REAL300008430808	1	46	0.0	-63.99	351.28	9.15	-54.84
O=C([O-])C1(C(=O)N2CCC(C3=CC(F)=CC(F)=C3)CC2)C[NH2+]CCO1	REAL300008430809	0	44	-1.0	-49.39	345.26	5.82	-43.57
O=C([O-])C1(C(=O)N2CCC(C3=CC(F)=CC(F)=C3)CC2)CNCCO1	REAL300008430809	1	44	-1.0	-49.39	345.26	5.82	-43.57
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300008430810	0	43	0.0	-60.54	342.84	6.70	-53.84
[NH3+][C@@H](CC(=O)N1CCC(C2=CC(F)=CC(F)=C2)CC1)C(=O)[O-]	REAL300008430811	0	40	0.0	-32.81	323.26	6.26	-26.55
O=C([O-])C1CC12CCC(C(=O)N1CCC(C3=CC(F)=CC(F)=C3)CC1)C2	REAL300008430812	0	48	-1.0	-59.07	380.04	11.74	-47.33
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC(C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300008430813	0	56	0.0	-61.00	420.57	10.41	-50.59
[NH3+][C@@H](CC(=O)N1CCC(C(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008430814	0	53	0.0	-32.36	401.25	9.98	-22.38
CCOC(=O)C1=C2CN(C(=O)C3(C(=O)[O-])C[NH2+]CCO3)CCC2=NN1C	REAL300008430815	0	47	-1.0	-51.40	367.64	3.66	-47.74
CCOC(=O)C1=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCC2=NN1C	REAL300008430815	1	47	-1.0	-51.40	367.64	3.66	-47.74
CCOC(=O)C1=C2CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CCC2=NN1C	REAL300008430816	0	46	0.0	-65.60	362.83	4.41	-61.19
CCOC(=O)C1=C2CN(C(=O)C[C@H]([NH3+])C(=O)[O-])CCC2=NN1C	REAL300008430817	0	43	0.0	-36.03	346.12	4.08	-31.95
CCOC(=O)C1=C2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCC2=NN1C	REAL300008430818	0	51	-1.0	-61.92	402.59	9.54	-52.38
COC(=O)C1CN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC(C)(C)O1	REAL300008430819	0	44	-1.0	-43.95	334.82	2.73	-41.22
COC(=O)C1CN(C(=O)C2(C(=O)[O-])CNCCO2)CC(C)(C)O1	REAL300008430819	1	44	-1.0	-43.95	334.82	2.73	-41.22
COC(=O)C1CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC(C)(C)O1	REAL300008430820	0	43	0.0	-62.88	336.16	3.68	-59.20
COC(=O)C1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC(C)(C)O1	REAL300008430821	0	48	-1.0	-54.41	370.60	8.58	-45.83
O=C([O-])C1(C(=O)NCC2=CC(Br)=CC(Cl)=C2F)C[NH2+]CCO1	REAL300008430822	0	34	-1.0	-50.65	326.97	3.51	-47.14
O=C([O-])C1(C(=O)NCC2=CC(Br)=CC(Cl)=C2F)CNCCO1	REAL300008430822	1	34	-1.0	-50.65	326.97	3.51	-47.14
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=CC(Br)=CC(Cl)=C1F	REAL300008430823	0	33	0.0	-62.64	320.78	4.27	-58.37
[NH3+][C@@H](CC(=O)NCC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300008430824	0	30	0.0	-31.63	298.47	3.66	-27.97
CC1=NN=C(CCCNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)N1C	REAL300008430825	0	42	-1.0	-55.71	342.22	2.77	-52.94
CC1=NN=C(CCCNC(=O)C2(C(=O)[O-])CNCCO2)N1C	REAL300008430825	1	42	-1.0	-55.71	342.22	2.77	-52.94
CC1=NN=C(CCCNC(=O)C2CCC3(CC3C(=O)[O-])C2)N1C	REAL300008430826	0	46	-1.0	-64.69	372.12	8.48	-56.21
CCCN(CC1=CC(F)=CC=C1F)C(=O)[C@@H]([NH3+])CCC(=O)[O-]	REAL300008430827	0	42	0.0	-57.62	338.44	6.66	-50.96
CCCN(CC1=CC(F)=CC=C1F)C(=O)C[C@H]([NH3+])C(=O)[O-]	REAL300008430828	0	39	0.0	-33.50	316.74	6.23	-27.27
CCCN(CC1=CC(F)=CC=C1F)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430829	0	47	-1.0	-58.74	376.42	11.84	-46.90
CC1=CC(C(F)F)=NC(C2(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CCCC2)=N1	REAL300008430830	0	47	0.0	-63.42	377.61	5.24	-58.18
CC1=CC(C(F)F)=NC(C2(NC(=O)C[C@H]([NH3+])C(=O)[O-])CCCC2)=N1	REAL300008430831	0	44	0.0	-28.98	347.29	4.86	-24.12
CC1=CC(C(F)F)=NC(C2(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CCCC2)=N1	REAL300008430832	0	52	-1.0	-56.32	412.00	10.31	-46.01
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1	REAL300008430833	0	47	-1.0	-60.35	377.89	1.40	-58.95
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008430833	1	47	-1.0	-60.35	377.89	1.40	-58.95
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C1	REAL300008430834	0	46	0.0	-73.00	377.11	2.16	-70.84
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)C[C@H]([NH3+])C(=O)[O-])C1	REAL300008430835	0	43	0.0	-42.72	357.62	1.73	-40.99
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430836	0	51	-1.0	-68.84	413.80	7.17	-61.67
O=C([O-])C1(C(=O)N2CC3(CCC3)CC(F)(F)C2)C[NH2+]CCO1	REAL300008430837	0	41	-1.0	-54.19	311.21	4.04	-50.15
O=C([O-])C1(C(=O)N2CC3(CCC3)CC(F)(F)C2)CNCCO1	REAL300008430837	1	41	-1.0	-54.19	311.21	4.04	-50.15
O=C([O-])C1CC12CCC(C(=O)N1CC3(CCC3)CC(F)(F)C1)C2	REAL300008430838	0	45	-1.0	-61.42	343.86	9.86	-51.56
COC(=O)C1(C(F)F)CCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC1	REAL300008430839	0	43	-1.0	-51.57	333.57	3.50	-48.07
COC(=O)C1(C(F)F)CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL300008430839	1	43	-1.0	-51.57	333.57	3.50	-48.07
COC(=O)C1(C(F)F)CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC1	REAL300008430840	0	42	0.0	-64.57	330.26	4.22	-60.35
COC(=O)C1(C(F)F)CCN(C(=O)C[C@H]([NH3+])C(=O)[O-])CC1	REAL300008430841	0	39	0.0	-38.31	310.66	3.82	-34.49
COC(=O)C1(C(F)F)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL300008430842	0	47	-1.0	-58.86	367.34	9.26	-49.60
CC(F)(F)C1=CC=CC(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300008430843	0	39	-1.0	-46.77	330.95	2.26	-44.51
CC(F)(F)C1=CC=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=N1	REAL300008430843	1	39	-1.0	-46.77	330.95	2.26	-44.51
CC(F)(F)C1=CC=CC(CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])=N1	REAL300008430844	0	38	0.0	-60.87	326.83	3.06	-57.81
CC(F)(F)C1=CC=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL300008430845	0	43	-1.0	-58.91	362.83	8.02	-50.89
CP(C)(=O)C1CCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC1	REAL300008430846	0	43	-1.0	-59.91	335.79	1.98	-57.93
CP(C)(=O)C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL300008430846	1	43	-1.0	-59.91	335.79	1.98	-57.93
CP(C)(=O)C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL300008430847	0	47	-1.0	-67.32	366.13	7.61	-59.71
COC1=CC=CC(CC2(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC2)=C1	REAL300008430848	0	44	0.0	-59.38	359.78	4.61	-54.77
COC1=CC=CC(CC2(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)=C1	REAL300008430849	0	49	-1.0	-62.04	393.35	9.52	-52.52
C[NH+](C)[C@H]1CCCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008430850	0	50	0.0	-74.48	354.26	9.97	-64.51
COC1=C2NC=C(CCNC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C2=CC=C1	REAL300008430851	0	45	-1.0	-55.44	366.75	2.49	-52.95
COC1=C2NC=C(CCNC(=O)C3(C(=O)[O-])CNCCO3)C2=CC=C1	REAL300008430851	1	45	-1.0	-55.44	366.75	2.49	-52.95
COC1=C2NC=C(CCNC(=O)[C@@H]([NH3+])CCC(=O)[O-])C2=CC=C1	REAL300008430852	0	44	0.0	-64.27	360.65	3.24	-61.03
COC1=C2NC=C(CCNC(=O)C[C@H]([NH3+])C(=O)[O-])C2=CC=C1	REAL300008430853	0	41	0.0	-36.30	338.27	2.64	-33.66
COC1=C2NC=C(CCNC(=O)C3CCC4(CC4C(=O)[O-])C3)C2=CC=C1	REAL300008430854	0	49	-1.0	-63.62	396.66	8.20	-55.42
CC1(C)C[C@@H](NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)[C@H]1OCC1=CC=CC=C1	REAL300008430855	0	51	-1.0	-52.31	391.92	5.55	-46.76
CC1(C)C[C@@H](NC(=O)C2(C(=O)[O-])CNCCO2)[C@H]1OCC1=CC=CC=C1	REAL300008430855	1	51	-1.0	-52.31	391.92	5.55	-46.76
CC1(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@H]1OCC1=CC=CC=C1	REAL300008430856	0	50	0.0	-61.82	397.03	5.99	-55.83
CC1(C)C[C@@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])[C@H]1OCC1=CC=CC=C1	REAL300008430857	0	47	0.0	-32.38	374.68	5.39	-26.99
CC1(C)C[C@@H](NC(=O)C2CCC3(CC3C(=O)[O-])C2)[C@H]1OCC1=CC=CC=C1	REAL300008430858	0	55	-1.0	-48.82	432.02	10.92	-37.90
COC(=O)C1CC2CC1CN(C(=O)C1(C(=O)[O-])C[NH2+]CCO1)C2	REAL300008430859	0	44	-1.0	-51.93	299.79	4.69	-47.24
COC(=O)C1CC2CC1CN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL300008430859	1	44	-1.0	-51.93	299.79	4.69	-47.24
COC(=O)C1CC2CC1CN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL300008430860	0	48	-1.0	-60.46	362.71	10.05	-50.41
CN(C)C(=O)OCCCNC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL300008430861	0	41	-1.0	-53.42	337.03	0.39	-53.03
CN(C)C(=O)OCCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL300008430861	1	41	-1.0	-53.42	337.03	0.39	-53.03
CN(C)C(=O)OCCCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008430862	0	45	-1.0	-63.16	367.39	6.08	-57.08
[NH3+][C@@H](CCC(=O)[O-])C(=O)N1CCC(C2=CC=C(Br)C=C2F)CC1	REAL300008430863	0	43	0.0	-58.57	356.11	7.22	-51.35
[NH3+][C@@H](CC(=O)N1CCC(C2=CC=C(Br)C=C2F)CC1)C(=O)[O-]	REAL300008430864	0	40	0.0	-32.08	336.96	6.77	-25.31
CC1=CC2=NC=C(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C=C2C=C1	REAL300008430865	0	39	-1.0	-51.02	320.53	3.21	-47.81
CC1=CC2=NC=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C2C=C1	REAL300008430865	1	39	-1.0	-51.02	320.53	3.21	-47.81
CC1=CC2=NC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2C=C1	REAL300008430866	0	43	-1.0	-51.61	348.69	8.97	-42.64
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O=C([O-])C1(C(=O)NC2=CC=C(N3C(=O)CNC3=O)C=C2)CNCCO1	REAL300008430867	1	40	-1.0	-59.87	328.44	0.17	-59.70
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CC=C(N2C(=O)CNC2=O)C=C1	REAL300008430868	0	39	0.0	-70.62	322.32	1.01	-69.61
[NH3+][C@@H](CC(=O)NC1=CC=C(N2C(=O)CNC2=O)C=C1)C(=O)[O-]	REAL300008430869	0	36	0.0	-40.61	299.93	0.40	-40.21
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COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2(C(=O)[O-])C[NH2+]CCO2)CC1	REAL300008430871	0	54	-1.0	-51.99	390.72	4.00	-47.99
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL300008430871	1	54	-1.0	-51.99	390.72	4.00	-47.99
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC1	REAL300008430872	0	53	0.0	-62.47	387.94	5.54	-56.93
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C(=O)C[C@H]([NH3+])C(=O)[O-])CC1	REAL300008430873	0	50	0.0	-36.53	368.92	5.10	-31.43
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL300008430874	0	58	-1.0	-58.01	423.72	9.76	-48.25
CC1=CN2C=C(NC(=O)C3(C(=O)[O-])C[NH2+]CCO3)C=CC2=N1	REAL300008430875	0	37	-1.0	-51.54	309.42	3.34	-48.20
CC1=CN2C=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=CC2=N1	REAL300008430875	1	37	-1.0	-51.54	309.42	3.34	-48.20
CC1=CN2C=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=CC2=N1	REAL300008430876	0	41	-1.0	-62.11	340.11	9.16	-52.95
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CC(C)OC1=CC(F)=CC(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)=C1	REAL300008430878	0	41	-1.0	-48.69	331.58	3.05	-45.64
CC(C)OC1=CC(F)=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL300008430878	1	41	-1.0	-48.69	331.58	3.05	-45.64
CC(C)OC1=CC(F)=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL300008430879	0	45	-1.0	-52.49	361.32	8.86	-43.63
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[NH3+][C@@H](CCC(=O)[O-])C(=O)NC1=CC=C2CNS(=O)(=O)C2=C1	REAL300008430881	0	36	0.0	-70.37	310.33	-1.57	-71.94
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[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C1=CC=CN=C1	REAL300008430884	0	42	0.0	-62.87	347.46	4.79	-58.08
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CC1(C)NC(=O)OC12CCN(C(=O)C1(C(=O)[O-])C[NH2+]CCO1)CC2	REAL300008430889	0	46	-1.0	-47.52	335.37	0.35	-47.17
CC1(C)NC(=O)OC12CCN(C(=O)C1(C(=O)[O-])CNCCO1)CC2	REAL300008430889	1	46	-1.0	-47.52	335.37	0.35	-47.17
CC1(C)NC(=O)OC12CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])CC2	REAL300008430890	0	45	0.0	-61.97	332.95	1.12	-60.85
CC1(C)NC(=O)OC12CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)CC2	REAL300008430891	0	50	-1.0	-61.10	367.24	6.01	-55.09
CC1CC(CNC(=O)C2(C(=O)[O-])C[NH2+]CCO2)CCS1	REAL300008430892	0	41	-1.0	-47.82	320.22	3.03	-44.79
CC1CC(CNC(=O)C2(C(=O)[O-])CNCCO2)CCS1	REAL300008430892	1	41	-1.0	-47.82	320.22	3.03	-44.79
CC1CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCS1	REAL300008430893	0	45	-1.0	-47.21	354.26	8.87	-38.34
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CC1=CSC(CCN(C)C(=O)C2(C(=O)[O-])CNCCO2)=N1	REAL300008430896	1	39	-1.0	-48.67	325.89	2.90	-45.77
CC1=CSC(CCN(C)C(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL300008430897	0	43	-1.0	-60.50	358.76	8.62	-51.88
CN1N=CC2=C1CC(NC(=O)C1(C(=O)[O-])C[NH2+]CCO1)CC2	REAL300008430898	0	41	-1.0	-51.79	326.04	1.82	-49.97
CN1N=CC2=C1CC(NC(=O)C1(C(=O)[O-])CNCCO1)CC2	REAL300008430898	1	41	-1.0	-51.79	326.04	1.82	-49.97
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CCN1N=CC=C1CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C1=CC=C(OC)C=C1	REAL300008430901	0	50	0.0	-62.08	371.44	5.07	-57.01
CCN1N=CC=C1CN(C(=O)C[C@H]([NH3+])C(=O)[O-])C1=CC=C(OC)C=C1	REAL300008430902	0	47	0.0	-36.82	354.17	4.51	-32.31
CCN1N=CC=C1CN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300008430903	0	55	-1.0	-66.94	437.44	11.34	-55.60
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300008430904	0	64	1.0	-116.68	435.10	6.82	-109.86
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300008430904	1	64	1.0	-116.68	435.10	6.82	-109.86
[NH3+][C@@H](CC(=O)NC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008430905	0	61	1.0	-84.19	416.25	6.33	-77.86
[NH3+][C@@H](CC(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008430905	1	61	1.0	-84.19	416.25	6.33	-77.86
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CN1C=C(Br)C=C(NC(=O)C2(C(=O)[O-])C[NH2+]CCO2)C1=O	REAL300008430915	0	34	-1.0	-64.54	303.20	2.61	-61.93
CN1C=C(Br)C=C(NC(=O)C2(C(=O)[O-])CNCCO2)C1=O	REAL300008430915	1	34	-1.0	-64.54	303.20	2.61	-61.93
CN1C=C(Br)C=C(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C1=O	REAL300008430916	0	33	0.0	-69.42	299.83	3.23	-66.19
CN1C=C(Br)C=C(NC(=O)C[C@H]([NH3+])C(=O)[O-])C1=O	REAL300008430917	0	30	0.0	-39.72	277.59	2.55	-37.17
CN1C=C(Br)C=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C1=O	REAL300008430918	0	38	-1.0	-58.61	333.15	8.42	-50.19
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CC(C)(C(=O)[O-])C1=CC=C(C(=O)NCC2=NOC3=CC=C(F)C=C32)C=C1	REAL300009356006	0	42	-1.0	-51.29	357.90	8.25	-43.04
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CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2(C3=CC=CC=N3)CCC2)C=C1	REAL300009356024	0	46	-1.0	-56.14	368.15	9.12	-47.02
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CCC(CC)(C(=O)[O-])C(=O)N1CCCC(OC2CCC2)CC1	REAL300009356033	0	50	-1.0	-44.16	351.44	8.55	-35.61
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CC=CCC1	REAL300009356034	0	49	-1.0	-50.70	350.41	9.03	-41.67
O=C([O-])C1=CC=C(C(=O)N2CCCC(OC3CCC3)CC2)C=N1	REAL300009356035	0	44	-1.0	-51.09	339.10	7.36	-43.73
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CCCCC1	REAL300009356036	0	51	-1.0	-44.59	352.30	9.09	-35.50
O=C([O-])COCC1=C(C(=O)N2CCCC(OC3CCC3)CC2)N=CO1	REAL300009356037	0	48	-1.0	-56.33	378.02	6.45	-49.88
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CCCO1	REAL300009356038	0	46	-1.0	-55.31	343.74	7.67	-47.64
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CC=CC1	REAL300009356039	0	46	-1.0	-51.40	333.82	8.52	-42.88
CC(C)(C)C(C(=O)[O-])C(=O)N1CCCC(OC2CCC2)CC1	REAL300009356040	0	50	-1.0	-46.54	357.76	8.94	-37.60
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CC2CCC1C2	REAL300009356041	0	52	-1.0	-52.31	359.18	9.49	-42.82
O=C([O-])C1CCC(C(=O)N2CCCC(OC3CCC3)CC2)CC1	REAL300009356042	0	51	-1.0	-60.43	364.46	9.49	-50.94
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CCOCC1	REAL300009356043	0	49	-1.0	-43.78	344.08	6.69	-37.09
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCCC(OC2CCC2)CC1	REAL300009356044	0	54	-1.0	-53.24	372.09	9.66	-43.58
O=C([O-])COC1=CC=C(C(=O)N2CCCC(OC3CCC3)CC2)C=C1	REAL300009356045	0	49	-1.0	-49.06	374.94	9.52	-39.54
O=C([O-])COC1=CC=CC(C(=O)N2CCCC(OC3CCC3)CC2)=C1	REAL300009356046	0	49	-1.0	-54.98	374.48	9.51	-45.47
CC1(C)CC1(C(=O)[O-])C(=O)N1CCCC(OC2CCC2)CC1	REAL300009356047	0	48	-1.0	-51.45	353.64	9.00	-42.45
O=C([O-])C(C(=O)N1CCCC(OC2CCC2)CC1)C1CCCC1	REAL300009356048	0	51	-1.0	-52.34	372.29	9.70	-42.64
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CCCCCC1	REAL300009356049	0	54	-1.0	-49.22	356.02	9.89	-39.33
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CCSCC1	REAL300009356050	0	49	-1.0	-48.51	354.80	8.78	-39.73
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CCS(=O)(=O)CC1	REAL300009356051	0	51	-1.0	-49.96	372.17	5.03	-44.93
O=C([O-])CN1C=C(C(=O)N2CCCC(OC3CCC3)CC2)N=N1	REAL300009356052	0	44	-1.0	-47.50	346.95	6.79	-40.71
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC(OC2CCC2)CC1	REAL300009356053	0	45	-1.0	-51.44	347.59	7.02	-44.42
O=C([O-])CCC1CC(C(=O)N2CCCC(OC3CCC3)CC2)CO1	REAL300009356054	0	52	-1.0	-54.35	387.94	8.32	-46.03
O=C([O-])C=CC1=CC(C(=O)N2CCCC(OC3CCC3)CC2)=CO1	REAL300009356055	0	46	-1.0	-53.78	359.24	8.85	-44.93
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC(OC3CCC3)CC2)O1	REAL300009356056	0	46	-1.0	-50.02	369.24	9.52	-40.50
O=C([O-])CN1C=CC=C(C(=O)N2CCCC(OC3CCC3)CC2)C1=O	REAL300009356057	0	48	-1.0	-72.18	378.03	8.89	-63.29
O=C([O-])CN1CCCC(C(=O)N2CCCC(OC3CCC3)CC2)C1=O	REAL300009356058	0	52	-1.0	-69.88	387.11	8.53	-61.35
O=C([O-])C1=CC(Br)=CN=C1C(=O)N1CCCC(OC2CCC2)CC1	REAL300009356059	0	44	-1.0	-52.04	366.37	9.04	-43.00
O=C([O-])C12CC(C(=O)N3CCCC(OC4CCC4)CC3)(C1)C2	REAL300009356060	0	46	-1.0	-50.11	346.92	9.00	-41.11
O=C([O-])C1=NNC(C(=O)N2CCCC(OC3CCC3)CC2)=C1	REAL300009356061	0	42	-1.0	-54.41	325.88	6.27	-48.14
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCC(OC3CCC3)CC2)C=C1	REAL300009356062	0	54	-1.0	-48.98	397.04	10.88	-38.10
O=C([O-])C1(C(=O)N2CCCC(OC3CCC3)CC2)CCCC1	REAL300009356063	0	48	-1.0	-50.98	342.28	8.58	-42.40
O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC(OC3CCC3)CC2)C1	REAL300009356064	0	51	-1.0	-60.57	370.12	9.58	-50.99
O=C([O-])C1=CC=C(C(=O)N2CCCC(OC3CCC3)CC2)C(Br)=C1	REAL300009356065	0	45	-1.0	-46.99	364.03	9.81	-37.18
CC(C(=O)[O-])C(=O)N1CCCC1(C)CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300009356066	0	43	-1.0	-60.62	347.41	10.56	-50.06
CC1(CC2=CC=C(F)C(C(F)(F)F)=C2)CCCN1C(=O)CCCC(=O)[O-]	REAL300009356067	0	46	-1.0	-58.09	377.55	10.93	-47.16
CC1(CC2=CC=C(F)C(C(F)(F)F)=C2)CCCN1C(=O)COCC(=O)[O-]	REAL300009356068	0	44	-1.0	-55.40	367.88	10.64	-44.76
CC1(CC2=CC=C(F)C(C(F)(F)F)=C2)CCCN1C(=O)CCCCC(=O)[O-]	REAL300009356069	0	49	-1.0	-52.27	399.05	11.71	-40.56
CC1(CC2=CC=C(F)C(C(F)(F)F)=C2)CCCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	REAL300009356070	0	47	-1.0	-61.35	382.15	11.28	-50.07
CC1(CC2=CC=C(F)C(C(F)(F)F)=C2)CCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300009356071	0	47	-1.0	-68.54	377.08	12.22	-56.32
CC1(CC2=CC=C(F)C(C(F)(F)F)=C2)CCCN1C(=O)C12CC(C(=O)[O-])(C1)C2	REAL300009356072	0	48	-1.0	-51.79	391.04	11.73	-40.06
CC1(CC2=CC=C(F)C(C(F)(F)F)=C2)CCCN1C(=O)C1=CC(C(=O)[O-])=NN1	REAL300009356073	0	44	-1.0	-57.74	360.64	8.67	-49.07
O=C([O-])C1=CC=CC(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)=C1	REAL300009356074	0	35	-1.0	-56.06	310.84	9.42	-46.64
O=C([O-])C1=CC=C(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)C=C1	REAL300009356075	0	35	-1.0	-47.56	310.83	9.42	-38.14
O=C([O-])C1CC(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)=NN1C1=CC=CC=C1	REAL300009356076	0	44	-1.0	-48.34	378.87	10.05	-38.29
O=C([O-])C1=CC=C(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)N=C1	REAL300009356077	0	34	-1.0	-41.74	308.23	7.70	-34.04
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)C1	REAL300009356078	0	38	-1.0	-55.60	318.17	9.00	-46.60
O=C([O-])CCCCC(=O)NC1=CC=NN1C1=CC=C(F)C=C1	REAL300009356079	0	37	-1.0	-49.42	319.17	8.79	-40.63
O=C([O-])C1=CC=C(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)C=N1	REAL300009356080	0	34	-1.0	-48.39	306.71	7.63	-40.76
O=C([O-])C1CCC(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)CC1	REAL300009356081	0	41	-1.0	-49.44	337.01	9.64	-39.80
O=C([O-])COC1=CC=C(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)C=C1	REAL300009356082	0	39	-1.0	-48.35	341.80	9.71	-38.64
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)=C1	REAL300009356083	0	39	-1.0	-54.38	341.92	9.70	-44.68
O=C([O-])CN1C=C(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)N=N1	REAL300009356084	0	34	-1.0	-46.09	312.00	6.09	-40.00
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=NN1C1=CC=C(F)C=C1	REAL300009356085	0	35	-1.0	-49.02	312.80	7.08	-41.94
O=C([O-])CCC1CC(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)CO1	REAL300009356086	0	42	-1.0	-51.86	352.12	8.12	-43.74
O=C([O-])C=CC1=CC(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)=CO1	REAL300009356087	0	36	-1.0	-54.30	328.27	8.88	-45.42
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=NN2C2=CC=C(F)C=C2)O1	REAL300009356088	0	36	-1.0	-48.83	331.42	9.24	-39.59
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1=CC=NN1C1=CC=C(F)C=C1	REAL300009356089	0	35	-1.0	-52.13	302.69	8.40	-43.73
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)C1=O	REAL300009356090	0	38	-1.0	-52.81	334.72	9.11	-43.70
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=NN1C1=CC=C(F)C=C1	REAL300009356091	0	35	-1.0	-52.21	299.41	8.28	-43.93
O=C([O-])CN1CCCC(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)C1=O	REAL300009356092	0	42	-1.0	-57.75	351.73	8.64	-49.11
O=C([O-])C12CC(C(=O)NC3=CC=NN3C3=CC=C(F)C=C3)(C1)C2	REAL300009356093	0	36	-1.0	-46.88	314.29	8.98	-37.90
O=C([O-])C1=NNC(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)=C1	REAL300009356094	0	32	-1.0	-50.53	294.70	5.84	-44.69
O=C([O-])C1=CC(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)=NN1	REAL300009356094	1	32	-1.0	-41.46	295.93	5.77	-35.69
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)C=C1	REAL300009356095	0	44	-1.0	-50.06	365.68	11.08	-38.98
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=NN2C2=CC=C(F)C=C2)C1	REAL300009356096	0	41	-1.0	-56.45	336.99	9.65	-46.80
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300009356097	0	44	-1.0	-64.96	345.57	10.84	-54.12
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300009356098	0	44	-1.0	-55.60	345.09	10.84	-44.76
CC(C(=O)[O-])C(=O)N1CCCC1(C)CC1=CC=C(F)C(F)=C1	REAL300009356099	0	40	-1.0	-47.25	321.55	8.94	-38.31
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)CCCC(=O)[O-]	REAL300009356100	0	43	-1.0	-57.89	345.95	10.00	-47.89
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)COCC(=O)[O-]	REAL300009356101	0	41	-1.0	-55.95	336.31	9.71	-46.24
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300009356102	0	43	-1.0	-45.59	353.78	10.11	-35.48
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300009356103	0	47	-1.0	-56.32	362.27	10.80	-45.52
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)CCCCC(=O)[O-]	REAL300009356104	0	46	-1.0	-51.98	367.45	10.78	-41.20
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300009356105	0	43	-1.0	-53.13	341.37	9.02	-44.11
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1CCC(C(=O)[O-])CC1	REAL300009356106	0	50	-1.0	-58.74	373.84	11.22	-47.52
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300009356107	0	48	-1.0	-51.68	376.72	11.09	-40.59
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300009356108	0	48	-1.0	-61.45	376.35	11.09	-50.36
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300009356109	0	43	-1.0	-47.12	357.19	8.26	-38.86
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC1(C)CC1=CC=C(F)C(F)=C1	REAL300009356110	0	44	-1.0	-55.95	347.70	8.62	-47.33
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1COC(CCC(=O)[O-])C1	REAL300009356111	0	51	-1.0	-54.38	398.77	9.97	-44.41
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300009356112	0	45	-1.0	-57.21	361.96	10.43	-46.78
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300009356113	0	45	-1.0	-50.20	376.50	11.66	-38.54
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	REAL300009356114	0	44	-1.0	-55.48	350.59	10.35	-45.13
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300009356115	0	47	-1.0	-55.09	375.22	10.55	-44.54
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300009356116	0	44	-1.0	-68.53	345.46	11.29	-57.24
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1CCCN(CC(=O)[O-])C1=O	REAL300009356117	0	51	-1.0	-62.92	402.64	10.89	-52.03
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C12CC(C(=O)[O-])(C1)C2	REAL300009356118	0	45	-1.0	-51.40	359.42	10.80	-40.60
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C1=CC(C(=O)[O-])=NN1	REAL300009356119	0	41	-1.0	-58.34	329.02	7.73	-50.61
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300009356120	0	50	-1.0	-57.53	380.96	11.32	-46.21
O=C([O-])C1=CC=CC(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)=C1	REAL300009356121	0	41	-1.0	-48.83	333.87	10.36	-38.47
O=C([O-])C1=CC=C(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)C=C1	REAL300009356122	0	41	-1.0	-52.75	332.64	10.33	-42.42
O=C([O-])C1CC(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)=NN1C1=CC=CC=C1	REAL300009356123	0	50	-1.0	-55.42	399.53	11.63	-43.79
O=C([O-])C1=CC=C(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)N=C1	REAL300009356124	0	40	-1.0	-45.40	328.84	9.41	-35.99
CC(C)C(C(=O)[O-])C(=O)N1CCCC(F)(C2=CC=CC=C2)C1	REAL300009356125	0	43	-1.0	-47.88	321.53	9.40	-38.48
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)C1	REAL300009356126	0	44	-1.0	-60.04	337.53	10.04	-50.00
O=C([O-])CCCCC(=O)N1CCCC(F)(C2=CC=CC=C2)C1	REAL300009356127	0	43	-1.0	-51.87	341.89	10.08	-41.79
O=C([O-])C1(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)CCC1	REAL300009356128	0	41	-1.0	-48.02	318.02	9.23	-38.79
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCCC(F)(C2=CC=CC=C2)C1	REAL300009356129	0	41	-1.0	-64.94	340.47	8.05	-56.89
CCC(CC)(C(=O)[O-])C(=O)N1CCCC(F)(C2=CC=CC=C2)C1	REAL300009356130	0	46	-1.0	-48.54	331.82	9.49	-39.05
O=C([O-])C1(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)CC=CCC1	REAL300009356131	0	45	-1.0	-53.79	338.71	10.11	-43.68
O=C([O-])C1=CC=C(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)C=N1	REAL300009356132	0	40	-1.0	-52.71	330.16	8.52	-44.19
O=C([O-])C1(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)CCCCC1	REAL300009356133	0	47	-1.0	-50.63	338.33	10.19	-40.44
O=C([O-])COCC1=C(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)N=CO1	REAL300009356134	0	44	-1.0	-61.02	363.39	7.18	-53.84
O=C([O-])C1(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)CCCO1	REAL300009356135	0	42	-1.0	-57.45	326.81	8.66	-48.79
O=C([O-])C1(C(=O)N2CCCC(F)(C3=CC=CC=C3)C2)CC=CC1	REAL300009356136	0	42	-1.0	-51.68	319.54	9.60	-42.08
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O=C([O-])C1=CC(Br)=CC(NC(=O)C2CCCC(F)(F)CC2)=C1	REAL300009700183	0	37	-1.0	-59.54	315.35	8.43	-51.11
O=C([O-])C1=CC(NC(=O)C[C@@H](O)C2=CC=CC=C2)=CC(Br)=C1	REAL300009700184	0	35	-1.0	-61.21	323.41	6.81	-54.40
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=NOC(CF)=C2)=C1	REAL300009700185	0	27	-1.0	-47.32	277.43	5.92	-41.40
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CCC3=CC=NN3C2)=C1	REAL300009700186	0	35	-1.0	-58.15	316.26	6.94	-51.21
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=C3C=NSC3=CC=C2)=C1	REAL300009700187	0	30	-1.0	-49.77	298.14	7.73	-42.04
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=CC3=NON=C32)=C1	REAL300009700188	0	29	-1.0	-55.04	286.76	6.54	-48.50
CN1C=C(OCC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300009700189	0	32	-1.0	-63.93	308.84	5.95	-57.98
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300009700190	0	35	-1.0	-60.61	331.98	9.91	-50.70
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=NC(C3CC3)=NC=C2Cl)=C1	REAL300009700191	0	33	-1.0	-53.00	327.82	7.93	-45.07
C=CC1(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CCC1	REAL300009700192	0	32	-1.0	-46.16	289.31	8.06	-38.10
CCC1=NOC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700193	0	30	-1.0	-44.61	292.33	6.46	-38.15
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700194	0	40	-1.0	-58.22	332.06	8.94	-49.28
C[C@@H]1C[C@]2(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)C[C@H]12	REAL300009700195	0	32	-1.0	-57.27	293.73	7.95	-49.32
O=C([O-])C1=CC(NC(=O)C=CC2=CC=NC=C2)=CC(Br)=C1	REAL300009700196	0	31	-1.0	-58.75	300.06	7.12	-51.63
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=C3C(=O)NCCN3N=C2)=C1	REAL300009700197	0	33	-1.0	-72.76	309.51	4.33	-68.43
O=C([O-])C1=CC(NC(=O)C2CC(=O)CC23CCC3)=CC(Br)=C1	REAL300009700198	0	37	-1.0	-69.37	325.22	8.05	-61.32
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CC3=CC=CN=C3C2)=C1	REAL300009700199	0	34	-1.0	-63.00	310.83	7.72	-55.28
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CC(C3CC3)=NO2)=C1	REAL300009700200	0	33	-1.0	-66.41	311.48	7.55	-58.86
CN1C=C(C2=NC(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)=CO2)C=N1	REAL300009700201	0	34	-1.0	-51.50	334.16	3.86	-47.64
CC1=CN2C(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)=CN=C2S1	REAL300009700202	0	31	-1.0	-47.52	307.42	8.09	-39.43
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC(Cl)=C(Cl)S2)=C1	REAL300009700203	0	25	-1.0	-53.68	295.38	7.80	-45.88
CC(C)(C)C1=CC=NC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700204	0	39	-1.0	-47.30	344.24	8.31	-38.99
O=C([O-])C1=CC(NC(=O)C2COC(=O)O2)=CC(Br)=C1	REAL300009700205	0	26	-1.0	-70.10	263.44	5.71	-64.39
CC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)C1CCOC1	REAL300009700206	0	35	-1.0	-60.29	304.99	5.95	-54.34
CO[C@H](C)C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700207	0	28	-1.0	-61.61	267.02	5.38	-56.23
COC1CC2(C1)CCC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)CC2	REAL300009700208	0	45	-1.0	-59.15	373.79	8.54	-50.61
CCC(C)(C)C1CCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300009700209	0	49	-1.0	-57.45	379.55	10.40	-47.05
CC1=CC2=CC(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)=CN=C2C=C1	REAL300009700210	0	36	-1.0	-57.55	333.18	8.71	-48.84
CN1C=C(C2=CC(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)=NO2)N=N1	REAL300009700211	0	33	-1.0	-61.62	328.04	5.29	-56.33
O=C([O-])C1=CC(Br)=CC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]32)=C1	REAL300009700212	0	32	-1.0	-58.47	288.17	7.90	-50.57
O=C([O-])C1=CC(Br)=CC(NC(=O)C2COC3COCC32)=C1	REAL300009700213	0	34	-1.0	-57.30	302.83	4.02	-53.28
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300009700214	0	35	-1.0	-67.32	326.46	7.43	-59.89
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700215	0	43	-1.0	-60.30	371.22	11.19	-49.11
CC1=CC=NC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700216	0	30	-1.0	-56.95	288.92	6.63	-50.32
COC1(C(F)(F)C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CCCC1	REAL300009700217	0	38	-1.0	-52.89	329.48	7.97	-44.92
O=C([O-])C1=CC(NC(=O)C2CCC3(CC(=O)C3)CC2)=CC(Br)=C1	REAL300009700218	0	40	-1.0	-60.04	343.41	8.68	-51.36
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CC23CCC(F)(F)CC3)=C1	REAL300009700219	0	38	-1.0	-60.00	335.01	9.40	-50.60
CC1CCOC1CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700220	0	35	-1.0	-63.10	305.27	6.71	-56.39
COC(=O)C1=CSC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700221	0	31	-1.0	-63.86	318.26	7.35	-56.51
CC(C)(C)C1=CN=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700222	0	39	-1.0	-56.65	341.70	8.20	-48.45
COC1CC(CC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C1(C)C	REAL300009700223	0	41	-1.0	-58.30	352.02	7.52	-50.78
O=C([O-])C1=CC(Br)=CC(NC(=O)C23CCCN2C(=O)CCCC3)=C1	REAL300009700224	0	42	-1.0	-54.26	346.78	7.97	-46.29
CC1=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=NN1C	REAL300009700225	0	31	-1.0	-59.47	295.16	5.96	-53.51
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CCC3(CC3(F)F)C2)=C1	REAL300009700226	0	35	-1.0	-57.63	323.25	8.74	-48.89
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CCCC3C2C3(F)F)=C1	REAL300009700227	0	35	-1.0	-56.43	312.45	8.64	-47.79
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700228	0	39	-1.0	-62.96	345.60	9.19	-53.77
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=C(C(F)(F)F)NC=N2)=C1	REAL300009700229	0	28	-1.0	-61.09	289.07	6.22	-54.87
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700230	0	46	-1.0	-46.21	348.55	9.75	-36.46
O=C([O-])C1=CC(Br)=CC(NC(=O)C2(C3CCC3)CC2(F)F)=C1	REAL300009700231	0	35	-1.0	-57.51	310.56	8.94	-48.57
CC1=C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C(C(F)F)=NN1C	REAL300009700232	0	34	-1.0	-63.77	331.90	6.71	-57.06
CC1=C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300009700233	0	36	-1.0	-58.56	333.30	8.31	-50.25
O=C([O-])C1=CC(Br)=CC(NC(=O)C23COC(C2)CCC3)=C1	REAL300009700234	0	36	-1.0	-58.26	306.41	6.31	-51.95
O=C([O-])C1=CC(Br)=CC(NC(=O)C23CCC(CO2)C3)=C1	REAL300009700235	0	33	-1.0	-55.44	295.19	5.93	-49.51
CC12CCC(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)(CO1)C2	REAL300009700236	0	36	-1.0	-57.22	316.47	6.36	-50.86
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=NNC(C3CCCC3)=C2)=C1	REAL300009700237	0	38	-1.0	-56.00	338.60	7.35	-48.65
O=C([O-])C1=CC(NC(=O)C2=CC=CC3=C2CCC(=O)N3)=CC(Br)=C1	REAL300009700238	0	36	-1.0	-49.50	324.28	6.85	-42.65
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CN=CC3=C2CCNC3=O)=C1	REAL300009700239	0	35	-1.0	-55.47	319.50	4.36	-51.11
CC1=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=NC=C1C(F)F	REAL300009700240	0	33	-1.0	-56.99	317.69	7.37	-49.62
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700241	0	37	-1.0	-67.33	335.46	5.63	-61.70
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CCC3C2C3(F)F)=C1	REAL300009700242	0	32	-1.0	-65.45	291.45	7.78	-57.67
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=CC(O)=C2F)=C1	REAL300009700243	0	28	-2.0	-118.27	282.03	5.68	-112.59
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=CC([O-])=C2F)=C1	REAL300009700243	1	28	-2.0	-118.27	282.03	5.68	-112.59
CC1=NNC(CCC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700244	0	34	-1.0	-59.25	318.01	6.11	-53.14
CC1=CC(CCC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=NN1	REAL300009700244	1	34	-1.0	-59.25	318.01	6.11	-53.14
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC3=NNC=C3N=C2)=C1	REAL300009700245	0	30	-1.0	-63.02	290.55	4.65	-58.37
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700246	0	43	0.0	-80.04	371.05	10.42	-69.62
CC(CN1C=CN=C1)C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700247	0	34	-1.0	-56.40	312.62	8.15	-48.25
COC1=CC=CC=C1OC(C)C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700248	0	39	-1.0	-67.95	349.63	8.53	-59.42
CC1=C(Cl)C=NN1CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700249	0	31	-1.0	-62.45	312.58	6.73	-55.72
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CCC(C3CCCO3)O2)=C1	REAL300009700250	0	40	-1.0	-61.16	346.64	7.34	-53.82
CN1N=NC2=C(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300009700251	0	33	-1.0	-77.88	313.27	6.31	-71.57
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CN=C3OCCCC3=C2)=C1	REAL300009700252	0	35	-1.0	-58.16	319.26	5.20	-52.96
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC(C3=CC=NC=C3)=NO2)=C1	REAL300009700253	0	33	-1.0	-53.00	324.10	6.94	-46.06
O=C([O-])C1=CC(Br)=CC(NC(=O)C(F)(F)CCC2=CC=CC=C2)=C1	REAL300009700254	0	37	-1.0	-51.24	348.37	10.08	-41.16
CC1=CC2=C(C=C(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)S2)S1	REAL300009700255	0	31	-1.0	-56.51	321.33	9.00	-47.51
O=C([O-])C1=CC(NC(=O)CC23CCC(CC2)C3)=CC(Br)=C1	REAL300009700256	0	38	-1.0	-59.63	318.37	8.95	-50.68
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CC=CC3=CC=CC=C32)=C1	REAL300009700257	0	36	-1.0	-61.33	325.64	9.90	-51.43
CCCOCCCC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700258	0	37	-1.0	-61.22	333.34	6.99	-54.23
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CN3C=NN=C3C=N2)=C1	REAL300009700259	0	29	-1.0	-55.25	288.60	7.25	-48.00
CN1N=CC(C#N)=C1C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700260	0	29	-1.0	-49.93	297.68	5.59	-44.34
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300009700261	0	33	-1.0	-48.78	306.05	8.05	-40.73
COC1=CC=CC(CC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300009700262	0	34	-1.0	-64.64	320.78	5.34	-59.30
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=C3SC=CC3=CN=C2)=C1	REAL300009700263	0	30	-1.0	-60.42	299.92	7.30	-53.12
CC(C)C(C)C(C)CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700264	0	42	-1.0	-57.58	340.75	8.89	-48.69
COC1CC2(C1)CC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)C2	REAL300009700265	0	39	-1.0	-57.74	343.84	7.49	-50.25
CC1=CC2=C(OCC2)C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700266	0	36	-1.0	-65.10	326.55	9.06	-56.04
O=C([O-])C1=CC(NC(=O)CC2CCCNC(=O)C2)=CC(Br)=C1	REAL300009700267	0	38	-1.0	-75.90	327.13	5.21	-70.69
CC1(C)CCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CO1	REAL300009700268	0	38	-1.0	-55.80	322.36	6.71	-49.09
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CCCCC23CCC3)=C1	REAL300009700269	0	41	-1.0	-58.30	330.65	9.41	-48.89
CC12CC(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)(CO1)CCC2	REAL300009700270	0	39	-1.0	-57.58	327.34	6.96	-50.62
O=C([O-])C1=CC(Br)=CC(NC(=O)C23CCCC2C3(F)F)=C1	REAL300009700271	0	32	-1.0	-55.17	301.34	8.07	-47.10
CN1C=NC2=C(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300009700272	0	34	-1.0	-72.98	318.10	9.18	-63.80
O=C([O-])C1=CC(Br)=CC(NC(=O)C23CCCCC2C3(F)F)=C1	REAL300009700273	0	35	-1.0	-54.93	311.81	8.51	-46.42
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=C(C3CC3)C=CO2)=C1	REAL300009700274	0	32	-1.0	-47.93	302.41	7.84	-40.09
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=NNC(C3=CC=CC=N3)=C2)=C1	REAL300009700275	0	34	-1.0	-49.41	328.61	6.01	-43.40
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC(C3=CC=CC=N3)=NN2)=C1	REAL300009700275	1	34	-1.0	-49.41	328.61	6.01	-43.40
CC1(CC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CCCO1	REAL300009700276	0	35	-1.0	-61.25	306.27	7.06	-54.19
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=NC3=CC=CNC3=C2)=C1	REAL300009700277	0	31	-1.0	-73.53	300.44	5.84	-67.69
CN1C=NC2=C1CCCC2C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700278	0	38	-1.0	-52.49	334.58	9.53	-42.96
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=CN3N=NC=C23)=C1	REAL300009700279	0	30	-1.0	-54.84	290.78	6.18	-48.66
O=C([O-])C1=CC(Br)=CC(NC(=O)C2C3C4CC2C(=O)C43)=C1	REAL300009700280	0	32	-1.0	-47.02	295.33	7.39	-39.63
CP(C)(=O)C1=CC=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700281	0	37	-1.0	-68.37	350.54	7.26	-61.11
CC1=C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C=NN1C(C)C(C)C	REAL300009700282	0	43	-1.0	-57.26	370.70	8.91	-48.35
O=C([O-])C1=CC(NC(=O)CC2CC3(CC3)C2)=CC(Br)=C1	REAL300009700283	0	35	-1.0	-58.82	315.38	8.82	-50.00
CCCSC1=CC=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700284	0	38	-1.0	-61.75	353.65	10.34	-51.41
CC1=NN(C)C(CC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700285	0	34	-1.0	-64.56	318.05	6.47	-58.09
CC1=NC=NC2=C1CC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)CC2	REAL300009700286	0	39	-1.0	-58.29	341.54	8.56	-49.73
CCC(C)CC(C)C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700287	0	39	-1.0	-57.71	329.60	8.61	-49.10
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CC(CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)CC(F)(F)F	REAL300009700292	0	33	-1.0	-61.80	307.48	7.73	-54.07
CC1(C)CC2(CC2C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300009700293	0	38	-1.0	-46.54	331.46	9.17	-37.37
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CC1COC2=C(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)C=CC=C21	REAL300009700296	0	36	-1.0	-65.58	326.25	9.02	-56.56
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CC12CC(CC(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)(C1)CO2	REAL300009700304	0	36	-1.0	-50.88	317.70	6.56	-44.32
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=NC=C3C=CSC3=C2)=C1	REAL300009700305	0	30	-1.0	-58.02	304.35	7.38	-50.64
CC1CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CCS1(=O)=O	REAL300009700306	0	37	-1.0	-67.62	335.39	4.69	-62.93
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C[C@@H]1C[C@@]2(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)C[C@@H]12	REAL300009700308	0	32	-1.0	-58.13	294.76	8.01	-50.12
CC(C1CC1)N1CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CC1=O	REAL300009700309	0	42	-1.0	-58.35	361.67	8.18	-50.17
CCC1=CN2CC(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)CCC2=N1	REAL300009700310	0	41	-1.0	-59.28	358.36	9.15	-50.13
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CC1=NC=C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C=C1C#N	REAL300009700314	0	31	-1.0	-58.06	305.39	6.78	-51.28
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CC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)C1=CC=C(C#N)C=C1	REAL300009700317	0	35	-1.0	-60.89	331.36	9.28	-51.61
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CC1CCC(OCCCC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300009700319	0	47	-1.0	-61.64	392.50	9.60	-52.04
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CCC1(C)CCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)O1	REAL300009700321	0	38	-1.0	-49.32	329.72	7.94	-41.38
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CC1=NC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C2C=CNC2=N1	REAL300009700332	0	33	-1.0	-57.64	313.89	6.78	-50.86
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700333	0	32	-1.0	-65.48	309.23	4.57	-60.91
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CCC1=CC=CC(CC)=C1CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700335	0	43	-1.0	-58.99	363.27	10.64	-48.35
CC1(C)CCCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300009700336	0	43	-1.0	-56.66	336.32	9.19	-47.47
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300009700337	0	43	-1.0	-58.18	345.44	9.50	-48.68
CC(C)N1C=C(C2CC2C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300009700338	0	41	-1.0	-58.84	367.70	8.91	-49.93
COC1=CN=NC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700339	0	30	-1.0	-47.75	292.25	4.11	-43.64
C[C@H]1C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)[C@H]1C	REAL300009700340	0	31	-1.0	-57.23	283.47	7.37	-49.86
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700341	0	31	-1.0	-55.87	299.09	7.69	-48.18
CC1CC(=O)NCC1C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700342	0	35	-1.0	-59.47	312.24	4.45	-55.02
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700343	0	32	-1.0	-65.08	311.41	4.54	-60.54
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700344	0	37	-1.0	-54.33	321.24	8.22	-46.11
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C[C@@H]1OCC[C@@H]1C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700346	0	32	-1.0	-61.36	287.84	5.28	-56.08
CC1(C)CC(CC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CO1	REAL300009700347	0	38	-1.0	-49.71	331.18	6.92	-42.79
CC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300009700348	0	40	-1.0	-60.61	352.53	11.01	-49.60
O=C([O-])C1=CC(NC(=O)CC2CC3(CCC3)CO2)=CC(Br)=C1	REAL300009700349	0	39	-1.0	-62.00	338.07	8.08	-53.92
COC1=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=CC(F)=C1F	REAL300009700350	0	32	-1.0	-54.13	312.47	7.11	-47.02
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COC1(C#N)CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300009700353	0	33	-1.0	-61.00	312.77	5.73	-55.27
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=CC(C3=NNC=C3)=C2)=C1	REAL300009700354	0	35	-1.0	-69.62	329.39	7.72	-61.90
CC1=C2NN=C(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)C2=CC=C1	REAL300009700355	0	34	-1.0	-58.75	320.50	7.02	-51.73
CC1CCCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300009700356	0	40	-1.0	-55.97	327.51	8.97	-47.00
CC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)C1=CC=CC=C1Cl	REAL300009700357	0	34	-1.0	-56.90	324.51	9.32	-47.58
O=C([O-])C1=CC(Br)=CC(NC(=O)[C@@H]2C[C@@H]2C(F)F)=C1	REAL300009700358	0	28	-1.0	-59.09	272.63	7.14	-51.95
CC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)N1C=CC(C2CC2)=N1	REAL300009700359	0	38	-1.0	-66.03	345.35	8.34	-57.69
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=NC3=NC=CN3C=C2)=C1	REAL300009700360	0	30	-1.0	-58.65	293.98	8.88	-49.77
CCCN1C=C(Cl)C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300009700361	0	34	-1.0	-59.44	334.03	7.60	-51.84
CC1=C(Cl)C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=NN1	REAL300009700362	0	28	-1.0	-56.52	288.85	5.27	-51.25
CC1=NNC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1Cl	REAL300009700362	1	28	-1.0	-56.52	288.85	5.27	-51.25
CC1=CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C(Cl)N=C1C	REAL300009700363	0	33	-1.0	-62.21	316.77	7.50	-54.71
O=C([O-])C1=CC(Br)=CC(NC(=O)C2(C3=NC=CC=C3F)CC2)=C1	REAL300009700364	0	34	-1.0	-49.82	323.81	7.90	-41.92
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N#CC1(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CC(=O)C1	REAL300009700366	0	28	-1.0	-58.32	283.24	5.89	-52.43
CC12CC(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)(C1)CCO2	REAL300009700367	0	36	-1.0	-57.53	311.89	6.48	-51.05
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CC(C)C1=NOC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300009700369	0	35	-1.0	-67.18	321.06	7.35	-59.83
CC1=CC(C(F)(F)C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=CS1	REAL300009700370	0	31	-1.0	-51.24	317.67	8.25	-42.99
CC(C)(C#N)CCC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700371	0	34	-1.0	-65.65	310.84	7.46	-58.19
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CN1C=C(C(F)(F)C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C=N1	REAL300009700373	0	31	-1.0	-54.32	308.98	6.28	-48.04
CC1(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CCCCNC1=O	REAL300009700374	0	38	-1.0	-52.55	315.28	5.23	-47.32
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CC(C)(CC1=CC=C(O)C=C1)C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700376	0	41	-1.0	-57.25	357.18	7.14	-50.11
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CC(C)(CC1=NNN=C1)C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700378	0	36	-1.0	-60.09	321.34	5.50	-54.59
CC(C)(CC1=CNN=N1)C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700378	1	36	-1.0	-60.09	321.34	5.50	-54.59
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CCNC(=O)N1CCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300009700380	0	43	-1.0	-62.36	367.26	6.52	-55.84
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CC(C)(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1)N1C=CC(C2CC2)=N1	REAL300009700382	0	41	-1.0	-70.03	361.55	9.09	-60.94
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CC3CCCCCCC32)=C1	REAL300009700383	0	44	-1.0	-59.78	346.97	9.89	-49.89
CC1CC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)CCS1	REAL300009700384	0	35	-1.0	-57.25	316.52	8.36	-48.89
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=NN3CC4(CC4)CC3=C2)=C1	REAL300009700385	0	36	-1.0	-58.45	331.85	7.63	-50.82
CC1(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C=CCCC1	REAL300009700386	0	35	-1.0	-56.94	304.35	8.30	-48.64
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COC12CCC(C(=O)NC3=CC(Br)=CC(C(=O)[O-])=C3)(CC1)C2	REAL300009700389	0	39	-1.0	-60.11	334.69	6.97	-53.14
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COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700491	0	39	-1.0	-62.93	352.51	9.01	-53.92
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CCC3=NN=CN3C2)=C1	REAL300009700492	0	34	-1.0	-62.02	310.07	8.48	-53.54
C[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300009700493	0	37	0.0	-75.30	315.03	7.70	-67.60
C[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300009700493	1	37	0.0	-75.30	315.03	7.70	-67.60
N#CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C=C1	REAL300009700494	0	36	-1.0	-60.79	343.56	10.11	-50.68
O=C([O-])C1=CC(Br)=CC(NC(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300009700495	0	35	-1.0	-58.41	322.74	9.72	-48.69
O=C([O-])C1=CC(Br)=CC(NC(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)=C1	REAL300009700496	0	35	-1.0	-58.38	322.75	9.72	-48.66
CC1C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C1C1=CC=CC=C1	REAL300009700497	0	38	-1.0	-57.56	342.50	10.30	-47.26
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300009700498	0	41	-1.0	-58.57	360.20	10.94	-47.63
O=C([O-])C1=CC(Br)=CC(NC(=O)C2CCCN(CC(F)F)C2)=C1	REAL300009700499	0	39	-1.0	-61.46	334.42	5.95	-55.51
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300009700500	0	46	0.0	-73.43	360.72	9.21	-64.22
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300009700500	1	46	0.0	-73.43	360.72	9.21	-64.22
O=C([O-])C1=CC(Br)=CC(NC(=O)[C@@H]2C[C@H]2C2=CC=CC=C2F)=C1	REAL300009700501	0	35	-1.0	-65.04	328.26	9.75	-55.29
O=C([O-])C1=CC(Br)=CC(NC(=O)[C@@H]2C[C@H]2C2=CC=CC(O)=C2)=C1	REAL300009700502	0	36	-1.0	-60.89	333.76	6.86	-54.03
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300009700503	0	36	-1.0	-64.60	343.86	10.09	-54.51
CN1C=CC(C2=NNC=C2C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300009700504	0	35	-1.0	-71.56	332.52	5.80	-65.76
O=C([O-])C1=CC(Br)=CC(NC(=O)C23CC(C2)CN3C2CC2)=C1	REAL300009700505	0	39	0.0	-73.28	327.75	8.68	-64.60
O=C([O-])C1=CC(Br)=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300009700505	1	39	0.0	-77.76	327.69	9.23	-68.53
O=C([O-])C1=CC(Br)=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300009700505	1	39	0.0	-77.76	327.69	9.23	-68.53
O=C([O-])C1=CC(Br)=CC(NC(=O)[C@H]2C[C@H](N3C=NN=C3)C2)=C1	REAL300009700506	0	34	-1.0	-63.07	312.11	9.24	-53.83
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300009700507	0	49	-1.0	-67.16	389.40	10.96	-56.20
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300009700508	0	49	-1.0	-49.54	394.22	11.57	-37.97
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C(C)C(=O)[O-]	REAL300009700509	0	45	-1.0	-54.71	349.90	9.37	-45.34
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)CCCC(=O)[O-]	REAL300009700510	0	48	-1.0	-59.94	383.50	10.60	-49.34
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)COCC(=O)[O-]	REAL300009700511	0	46	-1.0	-56.42	375.55	9.89	-46.53
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300009700512	0	48	-1.0	-48.08	384.55	11.27	-36.81
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300009700513	0	52	-1.0	-56.50	396.55	11.35	-45.15
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)CCCCC(=O)[O-]	REAL300009700514	0	51	-1.0	-53.02	401.72	11.28	-41.74
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300009700515	0	48	-1.0	-55.54	384.90	8.97	-46.57
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1CCC(C(=O)[O-])CC1	REAL300009700516	0	55	-1.0	-58.92	405.99	11.74	-47.18
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300009700517	0	53	-1.0	-49.09	425.23	11.86	-37.23
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300009700518	0	53	-1.0	-54.99	419.43	11.66	-43.33
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300009700519	0	48	-1.0	-47.43	393.11	9.05	-38.38
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300009700520	0	49	-1.0	-55.57	384.98	8.54	-47.03
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1COC(CCC(=O)[O-])C1	REAL300009700521	0	56	-1.0	-54.87	420.23	10.03	-44.84
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300009700522	0	50	-1.0	-55.07	404.91	11.53	-43.54
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300009700523	0	50	-1.0	-48.48	413.59	11.85	-36.63
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	REAL300009700524	0	49	-1.0	-60.12	381.63	10.83	-49.29
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300009700525	0	52	-1.0	-57.69	417.15	10.90	-46.79
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300009700526	0	49	-1.0	-54.24	378.35	10.74	-43.50
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1CCCN(CC(=O)[O-])C1=O	REAL300009700527	0	56	-1.0	-62.45	428.86	10.75	-51.70
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C12CC(C(=O)[O-])(C1)C2	REAL300009700528	0	50	-1.0	-48.91	386.61	11.01	-37.90
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC(C(=O)[O-])=NN1	REAL300009700529	0	46	-1.0	-59.07	372.85	9.18	-49.89
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300009700530	0	58	-1.0	-49.60	449.04	13.24	-36.36
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300009700531	0	55	-1.0	-55.73	414.19	11.87	-43.86
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=CC=CC(C(=O)[O-])=C2)N=N1	REAL300009700532	0	42	-1.0	-64.28	364.51	0.32	-63.96
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=CC=C(C(=O)[O-])C=C2)N=N1	REAL300009700533	0	42	-1.0	-55.56	364.17	0.34	-55.22
CC(C(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700534	0	38	-1.0	-59.71	327.11	-1.02	-60.73
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)CCCC(=O)[O-])N=N1	REAL300009700535	0	41	-1.0	-59.47	350.86	-1.04	-60.51
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)COCC(=O)[O-])N=N1	REAL300009700536	0	39	-1.0	-61.89	342.99	-1.79	-63.68
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=CC=C(C(=O)[O-])C=N2)N=N1	REAL300009700537	0	41	-1.0	-48.81	361.45	-1.38	-50.19
CC(C)(C(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700538	0	41	-1.0	-60.62	344.02	-0.41	-61.03
CC(C)C(C(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700539	0	44	-1.0	-51.04	364.99	-0.64	-51.68
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)N=N1	REAL300009700540	0	45	-1.0	-61.57	372.69	-0.13	-61.70
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)CCCCC(=O)[O-])N=N1	REAL300009700541	0	44	-1.0	-54.94	372.36	-0.26	-55.20
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CCC2)N=N1	REAL300009700542	0	42	-1.0	-45.21	351.19	-0.65	-45.86
CN1N=CC(C(=O)[O-])=C1C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700543	0	42	-1.0	-56.12	370.21	-2.27	-58.39
CCC(CC)(C(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700544	0	47	-1.0	-48.32	378.90	-0.38	-48.70
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CC=CCC2)N=N1	REAL300009700545	0	46	-1.0	-53.10	376.34	0.37	-52.73
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=CC=C(C(=O)[O-])N=C2)N=N1	REAL300009700546	0	41	-1.0	-56.41	360.08	-1.46	-57.87
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CCCCC2)N=N1	REAL300009700547	0	48	-1.0	-47.27	381.13	0.48	-46.79
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=C(COCC(=O)[O-])OC=N2)N=N1	REAL300009700548	0	45	-1.0	-61.46	396.48	-4.14	-65.60
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CCCO2)N=N1	REAL300009700549	0	43	-1.0	-52.14	362.16	-1.81	-53.95
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CC=CC2)N=N1	REAL300009700550	0	43	-1.0	-46.96	360.95	-0.08	-47.04
CC(C)(C)C(C(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700551	0	47	-1.0	-46.35	376.11	-0.24	-46.59
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C(C(=O)[O-])C2CC2)N=N1	REAL300009700552	0	42	-1.0	-45.35	355.49	-0.23	-45.58
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CC3CCC2C3)N=N1	REAL300009700553	0	49	-1.0	-51.00	389.64	0.60	-50.40
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2CCC(C(=O)[O-])CC2)N=N1	REAL300009700554	0	48	-1.0	-61.25	382.45	0.38	-60.87
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CCOCC2)N=N1	REAL300009700555	0	46	-1.0	-46.40	372.51	-1.87	-48.27
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700556	0	51	-1.0	-48.20	400.09	0.69	-47.51
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)N=N1	REAL300009700557	0	46	-1.0	-55.14	395.50	0.66	-54.48
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)N=N1	REAL300009700558	0	46	-1.0	-61.34	395.59	0.60	-60.74
COC(C)(C(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700559	0	42	-1.0	-50.48	350.05	-1.59	-52.07
CC1(C)CC1(C(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700560	0	45	-1.0	-45.61	370.59	0.06	-45.55
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C(C(=O)[O-])C2CCCC2)N=N1	REAL300009700561	0	48	-1.0	-48.59	391.39	0.63	-47.96
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CCCCCC2)N=N1	REAL300009700562	0	51	-1.0	-56.24	385.86	1.20	-55.04
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CCSCC2)N=N1	REAL300009700563	0	46	-1.0	-51.34	379.46	0.31	-51.03
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700564	0	42	-1.0	-43.63	350.52	-0.52	-44.15
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=CN(CC(=O)[O-])N=N2)N=N1	REAL300009700565	0	41	-1.0	-52.89	365.37	-2.98	-55.87
CN1N=C(C(=O)[O-])C=C1C(=O)NC[C@@H]1COC[C@H]1N1C=C(C(N)=O)N=N1	REAL300009700566	0	42	-1.0	-56.83	366.44	-1.99	-58.82
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2COC(CCC(=O)[O-])C2)N=N1	REAL300009700567	0	49	-1.0	-60.55	406.79	-0.89	-61.44
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=COC(C=CC(=O)[O-])=C2)N=N1	REAL300009700568	0	43	-1.0	-61.05	381.66	-0.22	-61.27
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)N=N1	REAL300009700569	0	43	-1.0	-55.06	385.11	0.13	-54.93
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])N=N1	REAL300009700570	0	42	-1.0	-58.25	355.86	-0.67	-58.92
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=CC=CN(CC(=O)[O-])C2=O)N=N1	REAL300009700571	0	45	-1.0	-55.86	388.11	-0.00	-55.86
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])N=N1	REAL300009700572	0	42	-1.0	-58.99	352.80	-0.82	-59.81
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2CCCN(CC(=O)[O-])C2=O)N=N1	REAL300009700573	0	49	-1.0	-58.51	405.17	-0.41	-58.92
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C23CC(C(=O)[O-])(C2)C3)N=N1	REAL300009700574	0	43	-1.0	-54.69	367.50	-0.07	-54.76
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2=CC(C(=O)[O-])=NN2)N=N1	REAL300009700575	0	39	-1.0	-59.38	348.10	-3.26	-62.64
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CCCC2)N=N1	REAL300009700576	0	45	-1.0	-47.33	368.42	-0.01	-47.34
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)N=N1	REAL300009700577	0	48	-1.0	-62.66	390.21	0.56	-62.10
CCC[C@@H]1C[C@H]1CNC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1	REAL300009700578	0	46	-1.0	-48.94	379.19	8.61	-40.33
CCC[C@@H]1C[C@H]1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300009700579	0	43	-1.0	-46.25	344.74	4.24	-42.01
CCC[C@@H]1C[C@H]1CNC(=O)C1=CC(Br)=CN(CC(=O)[O-])C1=O	REAL300009700580	0	40	-1.0	-44.72	356.03	8.26	-36.46
CCC[C@@H]1C[C@H]1CNC(=O)C1=NC=C(Br)C=C1C(=O)[O-]	REAL300009700581	0	36	-1.0	-56.13	327.92	7.65	-48.48
CCC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300009700582	0	46	-1.0	-49.68	363.96	9.59	-40.09
CCC[C@@H]1C[C@H]1CNC(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300009700583	0	37	-1.0	-45.87	327.10	8.58	-37.29
N#CC1CN(C(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)CCC1(F)F	REAL300009700584	0	41	-1.0	-49.56	350.09	8.52	-41.04
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CC(C)(C(=O)[O-])C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C2=CC=CC=C2)C=C1	REAL300009850085	0	50	-1.0	-46.75	384.28	12.11	-34.64
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CC(C(=O)[O-])C(=O)N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F	REAL300009850091	0	33	-1.0	-49.29	303.15	7.89	-41.40
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CCOC(=O)C1(CNC(=O)C2(C(=O)[O-])CCCO2)CC2(CCC2)C1	REAL300009850302	0	48	-1.0	-49.46	373.41	7.68	-41.78
CCOC(=O)C1(CNC(=O)C2(C(=O)[O-])CC=CC2)CC2(CCC2)C1	REAL300009850303	0	48	-1.0	-43.24	368.18	9.21	-34.03
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CCOC(=O)C1(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC2(CCC2)C1	REAL300009850309	0	56	-1.0	-52.63	423.34	9.94	-42.69
CCOC(=O)C1(CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC2(CCC2)C1	REAL300009850310	0	51	-1.0	-47.58	409.76	10.14	-37.44
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CCOC(=O)C1(CNC(=O)C2(C(=O)[O-])CC2(C)C)CC2(CCC2)C1	REAL300009850313	0	50	-1.0	-41.89	380.45	9.51	-32.38
CCOC(=O)C1(CNC(=O)C(C(=O)[O-])C2CCCC2)CC2(CCC2)C1	REAL300009850314	0	53	-1.0	-46.67	405.27	10.13	-36.54
CCOC(=O)C1(CNC(=O)C2(C(=O)[O-])CCCCCC2)CC2(CCC2)C1	REAL300009850315	0	56	-1.0	-51.27	400.59	10.82	-40.45
CCOC(=O)C1(CNC(=O)C2(C(=O)[O-])CCSCC2)CC2(CCC2)C1	REAL300009850316	0	51	-1.0	-47.87	398.42	9.48	-38.39
CCOC(=O)C1(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC2(CCC2)C1	REAL300009850317	0	47	-1.0	-41.93	367.98	8.94	-32.99
CCOC(=O)C1(CNC(=O)C2=CN(CC(=O)[O-])N=N2)CC2(CCC2)C1	REAL300009850318	0	46	-1.0	-46.32	379.99	6.54	-39.78
CCOC(=O)C1(CNC(=O)C2=CC(C(=O)[O-])=NN2C)CC2(CCC2)C1	REAL300009850319	0	47	-1.0	-49.73	383.20	7.38	-42.35
CCOC(=O)C1(CNC(=O)C2COC(CCC(=O)[O-])C2)CC2(CCC2)C1	REAL300009850320	0	54	-1.0	-50.57	420.21	8.54	-42.03
CCOC(=O)C1(CNC(=O)C2=COC(C=CC(=O)[O-])=C2)CC2(CCC2)C1	REAL300009850321	0	48	-1.0	-52.56	396.07	9.31	-43.25
CCOC(=O)C1(CNC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC2(CCC2)C1	REAL300009850322	0	48	-1.0	-48.09	399.25	9.63	-38.46
CCOC(=O)C1(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC2(CCC2)C1	REAL300009850323	0	47	-1.0	-54.46	370.54	8.83	-45.63
CCOC(=O)C1(CNC(=O)C2=CC=CN(CC(=O)[O-])C2=O)CC2(CCC2)C1	REAL300009850324	0	50	-1.0	-66.14	403.53	10.64	-55.50
CCOC(=O)C1(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC2(CCC2)C1	REAL300009850325	0	47	-1.0	-54.44	364.50	9.07	-45.37
CCOC(=O)C1(CNC(=O)C2CCCN(CC(=O)[O-])C2=O)CC2(CCC2)C1	REAL300009850326	0	54	-1.0	-61.77	427.97	8.35	-53.42
CCOC(=O)C1(CNC(=O)C23CC(C(=O)[O-])(C2)C3)CC2(CCC2)C1	REAL300009850327	0	48	-1.0	-47.15	379.56	9.31	-37.84
CCOC(=O)C1(CNC(=O)C2=CC(C(=O)[O-])=NN2)CC2(CCC2)C1	REAL300009850328	0	44	-1.0	-50.84	362.70	6.28	-44.56
CCOC(=O)C1(CNC(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC2(CCC2)C1	REAL300009850329	0	56	-1.0	-49.65	431.85	11.48	-38.17
CCOC(=O)C1(CNC(=O)C2(C(=O)[O-])CCCC2)CC2(CCC2)C1	REAL300009850330	0	50	-1.0	-43.64	377.15	9.35	-34.29
CCOC(=O)C1(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC2(CCC2)C1	REAL300009850331	0	53	-1.0	-55.77	404.42	10.07	-45.70
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CCOC(=O)C12CC(CNC(=O)CCCC(=O)[O-])(C1)OC2C1=CN(C)N=C1	REAL300009850333	0	51	-1.0	-59.24	420.87	6.25	-52.99
CCOC(=O)C12CC(CNC(=O)COCC(=O)[O-])(C1)OC2C1=CN(C)N=C1	REAL300009850334	0	49	-1.0	-61.64	413.00	5.50	-56.14
CCOC(=O)C12CC(CNC(=O)C(C)(C)C(=O)[O-])(C1)OC2C1=CN(C)N=C1	REAL300009850335	0	51	-1.0	-61.17	413.94	6.84	-54.33
CCOC(=O)C12CC(CNC(=O)C(C(=O)[O-])C(C)C)(C1)OC2C1=CN(C)N=C1	REAL300009850336	0	54	-1.0	-55.46	429.43	6.39	-49.07
CCOC(=O)C12CC(CNC(=O)CCCCC(=O)[O-])(C1)OC2C1=CN(C)N=C1	REAL300009850337	0	54	-1.0	-54.74	442.36	7.03	-47.71
CCOC(=O)C12CC(CNC(=O)C3(C(=O)[O-])CCC3)(C1)OC2C1=CN(C)N=C1	REAL300009850338	0	52	-1.0	-48.00	422.37	6.66	-41.34
CCOC(=O)C12CC(CNC(=O)C(C(=O)[O-])C3CC3)(C1)OC2C1=CN(C)N=C1	REAL300009850339	0	52	-1.0	-48.91	425.13	6.95	-41.96
CCOC(=O)C12CC(CNC(=O)C(C)(OC)C(=O)[O-])(C1)OC2C1=CN(C)N=C1	REAL300009850340	0	52	-1.0	-49.92	419.64	5.71	-44.21
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CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1=CC=CC2=C1CCCC2	REAL300009850360	0	50	-1.0	-47.88	372.84	9.77	-38.11
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CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=CC=CC2=C1CCCC2	REAL300009850369	0	41	-1.0	-49.45	335.63	7.17	-42.28
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CC(C)(C(=O)[O-])C1=CC=C(C(=O)NCC2=CC=CC3=C2CCCC3)C=C1	REAL300009850376	0	50	-1.0	-49.31	386.55	11.13	-38.18
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O=C([O-])C1=CC=CC(C(=O)N[C@@H](C2=CC=CC(C(F)(F)F)=C2)C(F)F)=C1	REAL300009850380	0	37	-1.0	-56.99	342.46	9.26	-47.73
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CC(C(=O)[O-])C(=O)N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300009850382	0	33	-1.0	-51.81	304.79	7.88	-43.93
O=C([O-])CCCC(=O)N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300009850383	0	36	-1.0	-52.76	328.94	7.83	-44.93
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O=C([O-])C1CCC(C(=O)N[C@@H](C2=CC=CC(C(F)(F)F)=C2)C(F)F)CC1	REAL300009850389	0	43	-1.0	-57.58	362.05	9.36	-48.22
O=C([O-])CN1C=C(C(=O)N[C@@H](C2=CC=CC(C(F)(F)F)=C2)C(F)F)N=N1	REAL300009850390	0	36	-1.0	-45.18	343.62	5.93	-39.25
CN1N=C(C(=O)[O-])C=C1C(=O)N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300009850391	0	37	-1.0	-49.16	344.80	6.93	-42.23
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O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300009850395	0	37	-1.0	-52.32	334.19	8.23	-44.09
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CC(C(=O)[O-])C(=O)NC(C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300009850402	0	33	-1.0	-53.85	291.11	8.14	-45.71
O=C([O-])CCCC(=O)NC(C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300009850403	0	36	-1.0	-53.29	316.91	8.09	-45.20
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O=C([O-])CCC1CC(C(=O)NC(C2=CC=CC=C2C(F)(F)F)C(F)F)CO1	REAL300009850412	0	44	-1.0	-54.85	370.38	7.68	-47.17
O=C([O-])C=CC1=CC(C(=O)NC(C2=CC=CC=C2C(F)(F)F)C(F)F)=CO1	REAL300009850413	0	38	-1.0	-53.87	347.26	8.95	-44.92
O=C([O-])C1=CC=C(C=CC(=O)NC(C2=CC=CC=C2C(F)(F)F)C(F)F)O1	REAL300009850414	0	38	-1.0	-52.91	350.25	9.27	-43.64
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC(C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300009850415	0	37	-1.0	-56.23	321.63	8.44	-47.79
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC(C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300009850416	0	37	-1.0	-58.96	306.75	8.83	-50.13
O=C([O-])C12CC(C(=O)NC(C3=CC=CC=C3C(F)(F)F)C(F)F)(C1)C2	REAL300009850417	0	38	-1.0	-48.78	334.28	8.45	-40.33
O=C([O-])C1=NNC(C(=O)NC(C2=CC=CC=C2C(F)(F)F)C(F)F)=C1	REAL300009850418	0	34	-1.0	-57.08	313.26	5.93	-51.15
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC(C2=CC=CC=C2C(F)(F)F)C(F)F)C1	REAL300009850419	0	43	-1.0	-59.12	356.98	9.13	-49.99
O=C([O-])C1=CC=CC(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)=C1	REAL300009850420	0	42	-1.0	-66.81	346.24	7.60	-59.21
O=C([O-])C1=CC=C(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)C=C1	REAL300009850421	0	42	-1.0	-54.40	346.18	7.59	-46.81
O=C([O-])CCCC(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850422	0	41	-1.0	-61.60	332.53	6.53	-55.07
O=C([O-])COCC(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850423	0	39	-1.0	-64.70	324.66	5.80	-58.90
O=C([O-])C1=CC=C(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)N=C1	REAL300009850424	0	41	-1.0	-49.00	340.25	6.67	-42.33
CC(C)(C(=O)[O-])C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850425	0	41	-1.0	-61.79	315.36	6.50	-55.29
CC(C)C(C(=O)[O-])C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850426	0	44	-1.0	-47.02	337.15	6.67	-40.35
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)C1	REAL300009850427	0	45	-1.0	-63.60	350.62	7.31	-56.29
O=C([O-])CCCCC(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850428	0	44	-1.0	-54.64	353.99	7.30	-47.34
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CCC1	REAL300009850429	0	42	-1.0	-49.95	328.18	6.44	-43.51
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850430	0	42	-1.0	-59.30	352.37	5.22	-54.08
CCC(CC)(C(=O)[O-])C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850431	0	47	-1.0	-52.26	343.95	6.73	-45.53
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CC=CCC1	REAL300009850432	0	46	-1.0	-49.78	350.04	7.33	-42.45
O=C([O-])C1=CC=C(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)C=N1	REAL300009850433	0	41	-1.0	-58.17	341.29	5.79	-52.38
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CCCCC1	REAL300009850434	0	48	-1.0	-60.22	352.28	7.36	-52.86
O=C([O-])COCC1=C(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)N=CO1	REAL300009850435	0	45	-1.0	-60.26	375.14	4.37	-55.89
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CCCO1	REAL300009850436	0	43	-1.0	-59.14	338.84	5.76	-53.38
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CC=CC1	REAL300009850437	0	43	-1.0	-54.85	331.63	6.81	-48.04
CC(C)(C)C(C(=O)[O-])C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850438	0	47	-1.0	-52.64	352.24	7.10	-45.54
O=C([O-])C(C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1)C1CC1	REAL300009850439	0	42	-1.0	-48.29	332.61	6.89	-41.40
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CC2CCC1C2	REAL300009850440	0	49	-1.0	-59.48	363.98	7.93	-51.55
O=C([O-])C1CCC(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CC1	REAL300009850441	0	48	-1.0	-61.05	361.91	7.75	-53.30
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CCOCC1	REAL300009850442	0	46	-1.0	-54.19	343.68	4.98	-49.21
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850443	0	51	-1.0	-65.01	376.03	8.15	-56.86
O=C([O-])COC1=CC=C(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)C=C1	REAL300009850444	0	46	-1.0	-54.07	377.19	7.88	-46.19
O=C([O-])COC1=CC=CC(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)=C1	REAL300009850445	0	46	-1.0	-51.12	377.31	7.87	-43.25
COC(C)(C(=O)[O-])C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850446	0	42	-1.0	-49.17	328.85	5.05	-44.12
CC1(C)CC1(C(=O)[O-])C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850447	0	45	-1.0	-51.73	351.07	7.09	-44.64
O=C([O-])C(C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1)C1CCCC1	REAL300009850448	0	48	-1.0	-45.87	361.01	7.84	-38.03
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CCCCCC1	REAL300009850449	0	51	-1.0	-48.14	353.79	7.80	-40.34
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CCSCC1	REAL300009850450	0	46	-1.0	-52.09	350.73	7.20	-44.89
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CCS(=O)(=O)CC1	REAL300009850451	0	48	-1.0	-53.22	368.09	3.32	-49.90
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850452	0	42	-1.0	-52.73	338.14	6.70	-46.03
O=C([O-])CN1C=C(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)N=N1	REAL300009850453	0	41	-1.0	-50.85	343.94	4.86	-45.99
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850454	0	42	-1.0	-54.40	346.58	5.26	-49.14
O=C([O-])CCC1CC(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CO1	REAL300009850455	0	49	-1.0	-63.76	382.37	6.47	-57.29
O=C([O-])C=CC1=CC(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)=CO1	REAL300009850456	0	43	-1.0	-56.26	360.18	7.10	-49.16
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)O1	REAL300009850457	0	43	-1.0	-53.60	365.22	7.69	-45.91
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850458	0	42	-1.0	-60.77	336.59	6.83	-53.94
O=C([O-])CN1C=CC=C(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)C1=O	REAL300009850459	0	45	-1.0	-56.80	368.32	7.01	-49.79
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300009850460	0	42	-1.0	-65.94	330.31	6.60	-59.34
O=C([O-])CN1CCCC(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)C1=O	REAL300009850461	0	49	-1.0	-79.44	387.96	7.82	-71.62
O=C([O-])C12CC(C(=O)N3CCCC(C4=CC=CC(O)=C4F)C3)(C1)C2	REAL300009850462	0	43	-1.0	-54.28	343.90	7.24	-47.04
O=C([O-])C1=NNC(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)=C1	REAL300009850463	0	39	-1.0	-60.05	326.51	4.35	-55.70
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)C=C1	REAL300009850464	0	51	-1.0	-51.17	399.24	9.23	-41.94
O=C([O-])C1(C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)CCCC1	REAL300009850465	0	45	-1.0	-54.54	338.76	6.88	-47.66
O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=CC=CC(O)=C3F)C2)C1	REAL300009850466	0	48	-1.0	-60.38	372.01	8.03	-52.35
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C2C(C)C	REAL300009850467	0	48	-1.0	-49.67	367.87	10.31	-39.36
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2C(C)C	REAL300009850468	0	48	-1.0	-48.91	368.08	10.33	-38.58
COC1=CC=C2C(=C1)CCN(C(=O)C(C)C(=O)[O-])C2C(C)C	REAL300009850469	0	44	-1.0	-49.58	333.00	8.27	-41.31
COC1=CC=C2C(=C1)CCN(C(=O)CCCC(=O)[O-])C2C(C)C	REAL300009850470	0	47	-1.0	-55.54	358.27	9.37	-46.17
COC1=CC=C2C(=C1)CCN(C(=O)COCC(=O)[O-])C2C(C)C	REAL300009850471	0	45	-1.0	-58.32	350.40	8.66	-49.66
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2C(C)C	REAL300009850472	0	47	-1.0	-42.87	359.97	10.12	-32.75
COC1=CC=C2C(=C1)CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C2C(C)C	REAL300009850473	0	51	-1.0	-58.24	374.97	10.12	-48.12
COC1=CC=C2C(=C1)CCN(C(=O)CCCCC(=O)[O-])C2C(C)C	REAL300009850474	0	50	-1.0	-50.10	379.77	10.16	-39.94
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C2C(C)C	REAL300009850475	0	47	-1.0	-49.61	355.78	8.16	-41.45
COC1=CC=C2C(=C1)CCN(C(=O)C1CCC(C(=O)[O-])CC1)C2C(C)C	REAL300009850476	0	54	-1.0	-61.82	383.11	10.47	-51.35
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2C(C)C	REAL300009850477	0	52	-1.0	-48.82	399.09	10.61	-38.21
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C2C(C)C	REAL300009850478	0	52	-1.0	-48.97	398.92	10.60	-38.37
COC1=CC=C2C(=C1)CCN(C(=O)C1=CN(CC(=O)[O-])N=N1)C2C(C)C	REAL300009850479	0	47	-1.0	-47.11	367.51	7.90	-39.21
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC(C(=O)[O-])=NN1C)C2C(C)C	REAL300009850480	0	48	-1.0	-50.92	371.34	8.13	-42.79
COC1=CC=C2C(=C1)CCN(C(=O)C1COC(CCC(=O)[O-])C1)C2C(C)C	REAL300009850481	0	55	-1.0	-56.08	408.95	9.47	-46.61
COC1=CC=C2C(=C1)CCN(C(=O)C1=COC(C=CC(=O)[O-])=C1)C2C(C)C	REAL300009850482	0	49	-1.0	-53.78	385.97	10.02	-43.76
COC1=CC=C2C(=C1)CCN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C2C(C)C	REAL300009850483	0	49	-1.0	-48.79	391.01	10.55	-38.24
COC1=CC=C2C(=C1)CCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])C2C(C)C	REAL300009850484	0	48	-1.0	-57.10	363.19	9.86	-47.24
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC=CN(CC(=O)[O-])C1=O)C2C(C)C	REAL300009850485	0	51	-1.0	-63.88	401.45	9.99	-53.89
COC1=CC=C2C(=C1)CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C2C(C)C	REAL300009850486	0	48	-1.0	-54.63	352.82	9.38	-45.25
COC1=CC=C2C(=C1)CCN(C(=O)C1CCCN(CC(=O)[O-])C1=O)C2C(C)C	REAL300009850487	0	55	-1.0	-53.29	412.32	9.71	-43.58
COC1=CC=C2C(=C1)CCN(C(=O)C13CC(C(=O)[O-])(C1)C3)C2C(C)C	REAL300009850488	0	49	-1.0	-48.97	369.53	10.11	-38.86
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC(C(=O)[O-])=NN1)C2C(C)C	REAL300009850489	0	45	-1.0	-52.45	345.01	7.59	-44.86
COC1=CC=C2C(=C1)CCN(C(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C2C(C)C	REAL300009850490	0	57	-1.0	-47.06	422.90	12.00	-35.06
COC1=CC=C2C(=C1)CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C2C(C)C	REAL300009850491	0	54	-1.0	-56.95	385.14	10.08	-46.87
O=C([O-])C1=CC=CC(C(=O)N2CCN3N=C(Br)N=C3C2)=C1	REAL300009850492	0	31	-1.0	-59.19	288.35	6.56	-52.63
O=C([O-])C1=CC=C(C(=O)N2CCN3N=C(Br)N=C3C2)C=C1	REAL300009850493	0	31	-1.0	-51.55	287.24	6.57	-44.98
CC(C(=O)[O-])C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850494	0	27	-1.0	-55.65	249.80	5.41	-50.24
O=C([O-])CCCC(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850495	0	30	-1.0	-54.56	275.84	5.59	-48.97
O=C([O-])COCC(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850496	0	28	-1.0	-56.72	267.97	4.85	-51.87
O=C([O-])C1=CC=C(C(=O)N2CCN3N=C(Br)N=C3C2)N=C1	REAL300009850497	0	30	-1.0	-44.34	283.17	5.70	-38.64
CC(C)(C(=O)[O-])C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850498	0	30	-1.0	-57.06	257.94	5.52	-51.54
CC(C)C(C(=O)[O-])C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850499	0	33	-1.0	-46.85	285.20	5.80	-41.05
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN3N=C(Br)N=C3C2)C1	REAL300009850500	0	34	-1.0	-56.90	292.38	6.33	-50.57
O=C([O-])CCCCC(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850501	0	33	-1.0	-50.97	297.34	6.37	-44.60
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CCC1	REAL300009850502	0	31	-1.0	-40.70	272.53	5.47	-35.23
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850503	0	31	-1.0	-58.25	295.72	4.28	-53.97
CCC(CC)(C(=O)[O-])C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850504	0	36	-1.0	-47.53	294.96	5.79	-41.74
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CC=CCC1	REAL300009850505	0	35	-1.0	-48.54	294.37	6.40	-42.14
O=C([O-])C1=CC=C(C(=O)N2CCN3N=C(Br)N=C3C2)C=N1	REAL300009850506	0	30	-1.0	-54.73	282.73	4.78	-49.95
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CCCCC1	REAL300009850507	0	37	-1.0	-42.56	298.59	6.43	-36.13
O=C([O-])COCC1=C(C(=O)N2CCN3N=C(Br)N=C3C2)N=CO1	REAL300009850508	0	34	-1.0	-54.81	318.06	3.42	-51.39
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CCCO1	REAL300009850509	0	32	-1.0	-51.41	282.48	4.87	-46.54
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CC=CC1	REAL300009850510	0	32	-1.0	-49.46	278.69	5.90	-43.56
CC(C)(C)C(C(=O)[O-])C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850511	0	36	-1.0	-40.92	295.98	6.15	-34.77
O=C([O-])C(C(=O)N1CCN2N=C(Br)N=C2C1)C1CC1	REAL300009850512	0	31	-1.0	-45.13	284.18	6.06	-39.07
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CC2CCC1C2	REAL300009850513	0	38	-1.0	-42.99	302.01	6.75	-36.24
O=C([O-])C1CCC(C(=O)N2CCN3N=C(Br)N=C3C2)CC1	REAL300009850514	0	37	-1.0	-51.73	310.70	6.88	-44.85
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CCOCC1	REAL300009850515	0	35	-1.0	-38.48	288.39	4.02	-34.46
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850516	0	40	-1.0	-51.78	319.66	6.82	-44.96
O=C([O-])COC1=CC=C(C(=O)N2CCN3N=C(Br)N=C3C2)C=C1	REAL300009850517	0	35	-1.0	-51.47	318.25	6.86	-44.61
O=C([O-])COC1=CC=CC(C(=O)N2CCN3N=C(Br)N=C3C2)=C1	REAL300009850518	0	35	-1.0	-56.80	319.41	6.84	-49.96
COC(C)(C(=O)[O-])C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850519	0	31	-1.0	-49.39	271.74	4.72	-44.67
CC1(C)CC1(C(=O)[O-])C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850520	0	34	-1.0	-42.42	298.25	6.36	-36.06
O=C([O-])C(C(=O)N1CCN2N=C(Br)N=C2C1)C1CCCC1	REAL300009850521	0	37	-1.0	-50.54	312.57	6.91	-43.63
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CCCCCC1	REAL300009850522	0	40	-1.0	-40.78	305.12	6.84	-33.94
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CCSCC1	REAL300009850523	0	35	-1.0	-45.81	296.28	6.40	-39.41
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850524	0	31	-1.0	-40.68	276.21	5.60	-35.08
O=C([O-])CN1C=C(C(=O)N2CCN3N=C(Br)N=C3C2)N=N1	REAL300009850525	0	30	-1.0	-48.13	286.85	3.88	-44.25
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850526	0	31	-1.0	-53.21	288.05	4.28	-48.93
O=C([O-])CCC1CC(C(=O)N2CCN3N=C(Br)N=C3C2)CO1	REAL300009850527	0	38	-1.0	-54.72	328.00	5.58	-49.14
O=C([O-])C=CC1=CC(C(=O)N2CCN3N=C(Br)N=C3C2)=CO1	REAL300009850528	0	32	-1.0	-53.83	303.09	6.09	-47.74
O=C([O-])C1=CC=C(C=CC(=O)N2CCN3N=C(Br)N=C3C2)O1	REAL300009850529	0	32	-1.0	-51.75	308.55	6.75	-45.00
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850530	0	31	-1.0	-55.92	280.35	5.91	-50.01
O=C([O-])CN1C=CC=C(C(=O)N2CCN3N=C(Br)N=C3C2)C1=O	REAL300009850531	0	34	-1.0	-53.54	312.78	6.15	-47.39
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN2N=C(Br)N=C2C1	REAL300009850532	0	31	-1.0	-45.33	275.11	5.72	-39.61
O=C([O-])CN1CCCC(C(=O)N2CCN3N=C(Br)N=C3C2)C1=O	REAL300009850533	0	38	-1.0	-67.41	330.84	6.82	-60.59
O=C([O-])C12CC(C(=O)N3CCN4N=C(Br)N=C4C3)(C1)C2	REAL300009850534	0	32	-1.0	-49.69	286.93	6.31	-43.38
O=C([O-])C1=NNC(C(=O)N2CCN3N=C(Br)N=C3C2)=C1	REAL300009850535	0	28	-1.0	-54.74	269.30	3.37	-51.37
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCN3N=C(Br)N=C3C2)C=C1	REAL300009850536	0	40	-1.0	-52.75	340.28	8.20	-44.55
O=C([O-])C1(C(=O)N2CCN3N=C(Br)N=C3C2)CCCC1	REAL300009850537	0	34	-1.0	-40.40	282.16	5.88	-34.52
O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN3N=C(Br)N=C3C2)C1	REAL300009850538	0	37	-1.0	-60.48	313.80	6.97	-53.51
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300009850539	0	34	-1.0	-57.22	310.67	5.57	-51.65
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300009850540	0	34	-1.0	-51.01	310.19	5.61	-45.40
CN1N=C(C(F)F)C=C1CNC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1	REAL300009850541	0	43	-1.0	-52.41	380.00	6.31	-46.10
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300009850542	0	33	-1.0	-44.16	308.07	3.84	-40.32
CN1N=C(C(F)F)C=C1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300009850543	0	37	-1.0	-55.31	319.03	5.21	-50.10
CN1N=C(C(F)F)C=C1CNC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300009850544	0	34	-1.0	-50.91	316.64	3.00	-47.91
CCC(CC)(C(=O)[O-])C(=O)NCC1=CC(C(F)F)=NN1C	REAL300009850545	0	39	-1.0	-42.99	321.97	5.27	-37.72
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CC=CCC1	REAL300009850546	0	38	-1.0	-48.49	322.22	5.46	-43.03
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300009850547	0	33	-1.0	-51.13	306.54	3.80	-47.33
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CCCCC1	REAL300009850548	0	40	-1.0	-47.06	325.45	5.81	-41.25
CN1N=C(C(F)F)C=C1CNC(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300009850549	0	37	-1.0	-55.93	342.94	1.09	-54.84
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CCCO1	REAL300009850550	0	35	-1.0	-51.11	310.11	3.57	-47.54
CN1N=C(C(F)F)C=C1CNC(=O)C(C(=O)[O-])C(C)(C)C	REAL300009850551	0	39	-1.0	-44.01	320.28	5.20	-38.81
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300009850552	0	41	-1.0	-49.70	336.71	5.93	-43.77
CN1N=C(C(F)F)C=C1CNC(=O)C1CCC(C(=O)[O-])CC1	REAL300009850553	0	40	-1.0	-51.78	337.34	5.88	-45.90
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CCOCC1	REAL300009850554	0	38	-1.0	-41.98	318.94	3.38	-38.60
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300009850555	0	43	-1.0	-45.08	348.18	5.92	-39.16
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300009850556	0	38	-1.0	-50.60	341.20	5.90	-44.70
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300009850557	0	38	-1.0	-54.84	341.74	5.85	-48.99
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CC1(C)C	REAL300009850558	0	37	-1.0	-45.20	319.43	5.21	-39.99
CN1N=C(C(F)F)C=C1CNC(=O)C(C(=O)[O-])C1CCCC1	REAL300009850559	0	40	-1.0	-46.16	337.23	5.88	-40.28
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CCCCCC1	REAL300009850560	0	43	-1.0	-50.63	332.53	6.59	-44.04
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CCSCC1	REAL300009850561	0	38	-1.0	-41.70	325.85	5.58	-36.12
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300009850562	0	40	-1.0	-48.64	342.60	1.87	-46.77
CN1N=C(C(F)F)C=C1CNC(=O)C1=CN(CC(=O)[O-])N=N1	REAL300009850563	0	33	-1.0	-49.67	311.36	2.27	-47.40
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300009850564	0	34	-1.0	-52.37	313.10	3.24	-49.13
CN1N=C(C(F)F)C=C1CNC(=O)C1COC(CCC(=O)[O-])C1	REAL300009850565	0	41	-1.0	-53.19	351.64	4.30	-48.89
CN1N=C(C(F)F)C=C1CNC(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300009850566	0	35	-1.0	-55.09	328.09	5.05	-50.04
CN1N=C(C(F)F)C=C1CNC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300009850567	0	35	-1.0	-50.43	332.29	5.41	-45.02
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300009850568	0	37	-1.0	-55.59	334.07	5.29	-50.30
CN1N=C(C(F)F)C=C1CNC(=O)C1CCCN(CC(=O)[O-])C1=O	REAL300009850569	0	41	-1.0	-56.06	351.15	4.87	-51.19
CN1N=C(C(F)F)C=C1CNC(=O)C1=NC=C(Br)C=C1C(=O)[O-]	REAL300009850570	0	33	-1.0	-49.35	327.42	4.81	-44.54
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300009850571	0	43	-1.0	-52.28	365.04	7.27	-45.01
CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CCCC1	REAL300009850572	0	37	-1.0	-45.06	314.36	5.28	-39.78
CN1N=C(C(F)F)C=C1CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300009850573	0	40	-1.0	-56.74	335.79	5.82	-50.92
CN1N=C(C(F)F)C=C1CNC(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300009850574	0	34	-1.0	-49.10	326.41	6.22	-42.88
CC1(C(F)(F)F)CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300009850575	0	37	-1.0	-58.92	301.91	8.10	-50.82
CC1(C(F)(F)F)CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300009850576	0	37	-1.0	-48.84	301.92	8.11	-40.73
CC1(C(F)(F)F)CCN(C(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)CC1	REAL300009850577	0	46	-1.0	-48.41	366.44	9.22	-39.19
CC1(C(F)(F)F)CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300009850578	0	36	-1.0	-41.82	296.91	7.14	-34.68
CC1(C(F)(F)F)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300009850579	0	40	-1.0	-57.93	305.48	7.80	-50.13
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCC(C)(C(F)(F)F)CC1	REAL300009850580	0	37	-1.0	-58.75	308.63	5.75	-53.00
CCC(CC)(C(=O)[O-])C(=O)N1CCC(C)(C(F)(F)F)CC1	REAL300009850581	0	42	-1.0	-44.92	305.26	7.36	-37.56
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CC=CCC2)CC1	REAL300009850582	0	41	-1.0	-47.83	307.18	7.88	-39.95
CC1(C(F)(F)F)CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300009850583	0	36	-1.0	-49.63	298.16	6.25	-43.38
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CCCCC2)CC1	REAL300009850584	0	43	-1.0	-42.35	311.83	8.00	-34.35
CC1(C(F)(F)F)CCN(C(=O)C2=C(COCC(=O)[O-])OC=N2)CC1	REAL300009850585	0	40	-1.0	-54.96	331.04	4.89	-50.07
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CCCO2)CC1	REAL300009850586	0	38	-1.0	-49.81	295.15	6.41	-43.40
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1	REAL300009850587	0	38	-1.0	-42.75	292.79	7.40	-35.35
CC(C)(C)C(C(=O)[O-])C(=O)N1CCC(C)(C(F)(F)F)CC1	REAL300009850588	0	42	-1.0	-46.53	311.66	7.71	-38.82
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CC3CCC2C3)CC1	REAL300009850589	0	44	-1.0	-45.59	319.27	8.40	-37.19
CC1(C(F)(F)F)CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300009850590	0	43	-1.0	-57.58	316.82	8.25	-49.33
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1	REAL300009850591	0	41	-1.0	-44.16	298.19	5.59	-38.57
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC(C)(C(F)(F)F)CC1	REAL300009850592	0	46	-1.0	-51.34	334.60	8.64	-42.70
CC1(C(F)(F)F)CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300009850593	0	41	-1.0	-48.72	332.88	8.38	-40.34
CC1(C(F)(F)F)CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300009850594	0	41	-1.0	-56.25	332.22	8.37	-47.88
CC1(C)CC1(C(=O)[O-])C(=O)N1CCC(C)(C(F)(F)F)CC1	REAL300009850595	0	40	-1.0	-46.56	311.25	7.72	-38.84
CC1(C(F)(F)F)CCN(C(=O)C(C(=O)[O-])C2CCCC2)CC1	REAL300009850596	0	43	-1.0	-43.21	325.04	8.55	-34.66
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CCCCCC2)CC1	REAL300009850597	0	46	-1.0	-43.00	323.13	8.38	-34.62
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1	REAL300009850598	0	41	-1.0	-38.85	309.93	7.44	-31.41
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300009850599	0	43	-1.0	-41.27	328.72	3.76	-37.51
CC1(C(F)(F)F)CCN(C(=O)C2=CN(CC(=O)[O-])N=N2)CC1	REAL300009850600	0	36	-1.0	-46.18	299.96	5.33	-40.85
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCC(C)(C(F)(F)F)CC1	REAL300009850601	0	37	-1.0	-49.52	300.77	5.79	-43.73
CC1(C(F)(F)F)CCN(C(=O)C2COC(CCC(=O)[O-])C2)CC1	REAL300009850602	0	44	-1.0	-51.46	339.62	7.00	-44.46
CC1(C(F)(F)F)CCN(C(=O)C2=COC(C=CC(=O)[O-])=C2)CC1	REAL300009850603	0	38	-1.0	-50.25	316.42	7.63	-42.62
CC1(C(F)(F)F)CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300009850604	0	38	-1.0	-47.95	321.46	8.20	-39.75
CC1(C(F)(F)F)CCN(C(=O)C2=CC=CN(CC(=O)[O-])C2=O)CC1	REAL300009850605	0	40	-1.0	-62.69	332.02	7.66	-55.03
CC1(C(F)(F)F)CCN(C(=O)C2CCCN(CC(=O)[O-])C2=O)CC1	REAL300009850606	0	44	-1.0	-70.58	344.21	8.34	-62.24
CC1(C(F)(F)F)CCN(C(=O)C2=NC=C(Br)C=C2C(=O)[O-])CC1	REAL300009850607	0	36	-1.0	-52.55	319.43	7.56	-44.99
CC1(C(F)(F)F)CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1	REAL300009850608	0	38	-1.0	-47.91	300.40	7.79	-40.12
CC1(C(F)(F)F)CCN(C(=O)C2=CC(C(=O)[O-])=NN2)CC1	REAL300009850609	0	34	-1.0	-53.24	282.71	4.90	-48.34
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCC(C)(C(F)(F)F)CC2)C=C1	REAL300009850610	0	46	-1.0	-45.58	355.50	9.74	-35.84
CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CCCC2)CC1	REAL300009850611	0	40	-1.0	-41.47	293.62	7.40	-34.07
CC1(C(F)(F)F)CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300009850612	0	43	-1.0	-52.22	327.73	8.53	-43.69
CC1(C(F)(F)F)CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300009850613	0	37	-1.0	-47.26	322.25	8.71	-38.55
CC(C(=O)[O-])C(=O)NC(C1=CC=C(Cl)C=C1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300009850614	0	47	-1.0	-56.12	400.81	13.67	-42.45
CN1C=C(C23CCC2CCN3C(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300009850615	0	42	-1.0	-63.57	334.81	8.39	-55.18
CN1C=C(C23CCC2CCN3C(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300009850616	0	42	-1.0	-52.59	335.33	8.46	-44.13
CN1C=C(C23CCC2CCN3C(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)C=N1	REAL300009850617	0	51	-1.0	-60.31	406.66	9.75	-50.56
CN1C=C(C23CCC2CCN3C(=O)C2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300009850618	0	41	-1.0	-45.95	332.87	7.61	-38.34
CN1C=C(C23CCC2CCN3C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300009850619	0	45	-1.0	-60.73	344.82	8.28	-52.45
CN1C=C(C23CCC2CCN3C(=O)CCCCC(=O)[O-])C=N1	REAL300009850620	0	44	-1.0	-55.10	346.89	8.25	-46.85
CN1C=C(C23CCC2CCN3C(=O)C2=CC=C(C(=O)[O-])N=C2)C=N1	REAL300009850621	0	41	-1.0	-52.71	330.71	6.58	-46.13
CN1C=C(C23CCC2CCN3C(=O)C2CCC(C(=O)[O-])CC2)C=N1	REAL300009850622	0	48	-1.0	-53.10	361.59	8.86	-44.24
CN1C=C(C23CCC2CCN3C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300009850623	0	46	-1.0	-52.51	366.35	8.74	-43.77
CN1C=C(C23CCC2CCN3C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300009850624	0	46	-1.0	-60.29	366.45	8.73	-51.56
CN1C=C(C23CCC2CCN3C(=O)C2=CN(CC(=O)[O-])N=N2)C=N1	REAL300009850625	0	41	-1.0	-54.46	337.14	5.76	-48.70
CN1C=C(C23CCC2CCN3C(=O)C2=CC(C(=O)[O-])=NN2C)C=N1	REAL300009850626	0	42	-1.0	-52.91	333.27	6.11	-46.80
CN1C=C(C23CCC2CCN3C(=O)C2COC(CCC(=O)[O-])C2)C=N1	REAL300009850627	0	49	-1.0	-56.68	377.21	7.43	-49.25
CN1C=C(C23CCC2CCN3C(=O)C2=COC(C=CC(=O)[O-])=C2)C=N1	REAL300009850628	0	43	-1.0	-56.96	348.88	7.90	-49.06
CN1C=C(C23CCC2CCN3C(=O)C=CC2=CC=C(C(=O)[O-])O2)C=N1	REAL300009850629	0	43	-1.0	-54.29	358.83	8.65	-45.64
CN1C=C(C23CCC2CCN3C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300009850630	0	42	-1.0	-64.23	332.07	7.80	-56.43
CN1C=C(C23CCC2CCN3C(=O)C2=CC=CN(CC(=O)[O-])C2=O)C=N1	REAL300009850631	0	45	-1.0	-54.15	340.09	7.24	-46.91
CN1C=C(C23CCC2CCN3C(=O)[C@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300009850632	0	42	-1.0	-55.27	321.84	7.56	-47.71
CN1C=C(C23CCC2CCN3C(=O)C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300009850633	0	49	-1.0	-69.02	380.87	7.62	-61.40
CN1C=C(C23CCC2CCN3C(=O)C23CC(C(=O)[O-])(C2)C3)C=N1	REAL300009850634	0	43	-1.0	-56.58	336.49	8.12	-48.46
CN1C=C(C23CCC2CCN3C(=O)C2=CC(C(=O)[O-])=NN2)C=N1	REAL300009850635	0	39	-1.0	-56.68	318.12	5.30	-51.38
CN1C=C(C23CCC2CCN3C(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300009850636	0	51	-1.0	-56.71	390.15	10.13	-46.58
CN1C=C(C23CCC2CCN3C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300009850637	0	48	-1.0	-62.22	360.78	8.78	-53.44
CCOC(=O)C1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)C12CCC2	REAL300009850638	0	44	-1.0	-62.12	344.67	9.08	-53.04
CCOC(=O)C1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C12CCC2	REAL300009850639	0	44	-1.0	-51.15	344.50	9.09	-42.06
CCOC(=O)C1CCN(C(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)C12CCC2	REAL300009850640	0	53	-1.0	-53.05	413.46	10.28	-42.77
CCOC(=O)C1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C12CCC2	REAL300009850641	0	43	-1.0	-44.02	343.35	8.28	-35.74
CCOC(=O)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C12CCC2	REAL300009850642	0	47	-1.0	-57.95	355.06	9.01	-48.94
CCOC(=O)C1CCN(C(=O)CCCCC(=O)[O-])C12CCC2	REAL300009850643	0	46	-1.0	-50.55	357.58	8.91	-41.64
CCOC(=O)C1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)C12CCC2	REAL300009850644	0	43	-1.0	-51.18	340.57	7.26	-43.92
CCOC(=O)C1CCN(C(=O)C2CCC(C(=O)[O-])CC2)C12CCC2	REAL300009850645	0	50	-1.0	-64.56	363.60	9.34	-55.22
CCOC(=O)C1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C12CCC2	REAL300009850646	0	48	-1.0	-50.82	375.51	9.39	-41.43
CCOC(=O)C1CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C12CCC2	REAL300009850647	0	48	-1.0	-58.81	375.74	9.37	-49.44
CCOC(=O)C1CCN(C(=O)C2=CN(CC(=O)[O-])N=N2)C12CCC2	REAL300009850648	0	43	-1.0	-47.21	348.11	6.40	-40.81
CCOC(=O)C1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C)C12CCC2	REAL300009850649	0	44	-1.0	-51.02	346.55	6.90	-44.12
CCOC(=O)C1CCN(C(=O)C2COC(CCC(=O)[O-])C2)C12CCC2	REAL300009850650	0	51	-1.0	-55.52	387.48	8.10	-47.42
CCOC(=O)C1CCN(C(=O)C2=COC(C=CC(=O)[O-])=C2)C12CCC2	REAL300009850651	0	45	-1.0	-56.06	362.08	8.73	-47.33
CCOC(=O)C1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C12CCC2	REAL300009850652	0	45	-1.0	-49.97	368.62	9.30	-40.67
CCOC(=O)C1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C12CCC2	REAL300009850653	0	44	-1.0	-55.21	340.01	8.47	-46.74
CCOC(=O)C1CCN(C(=O)C2=CC=CN(CC(=O)[O-])C2=O)C12CCC2	REAL300009850654	0	47	-1.0	-54.86	373.16	8.69	-46.17
CCOC(=O)C1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C12CCC2	REAL300009850655	0	44	-1.0	-61.97	337.56	8.39	-53.58
CCOC(=O)C1CCN(C(=O)C2CCCN(CC(=O)[O-])C2=O)C12CCC2	REAL300009850656	0	51	-1.0	-52.59	392.29	8.33	-44.26
CCOC(=O)C1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C12CCC2	REAL300009850657	0	45	-1.0	-49.41	348.96	8.90	-40.51
CCOC(=O)C1CCN(C(=O)C2=CC(C(=O)[O-])=NN2)C12CCC2	REAL300009850658	0	41	-1.0	-54.48	329.04	5.98	-48.50
CCOC(=O)C1CCN(C(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C12CCC2	REAL300009850659	0	53	-1.0	-54.53	399.34	10.76	-43.77
CCOC(=O)C1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C12CCC2	REAL300009850660	0	50	-1.0	-59.20	371.32	9.48	-49.72
N#CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O)C(=O)[O-]	REAL300009871001	0	39	-1.0	-53.71	366.66	8.10	-45.61
CC1=CC(N2CCC(C(=O)NC(CCC#N)C(=O)[O-])C2=O)=CC(C)=C1	REAL300009871002	0	45	-1.0	-63.89	376.77	8.41	-55.48
N#CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C=C2)C1=O)C(=O)[O-]	REAL300009871003	0	39	-1.0	-52.22	350.93	7.62	-44.60
N#CCCC(NC(=O)CCCNC(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300009871004	0	41	-1.0	-56.00	366.08	5.97	-50.03
N#CCCC(NC(=O)CCNC(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300009871005	0	38	-1.0	-61.48	344.58	5.16	-56.32
CCCCCCOC1=CC=C(CC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871006	0	50	-1.0	-54.20	418.23	10.05	-44.15
N#CCCC(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)[O-]	REAL300009871007	0	45	-1.0	-66.89	382.78	4.30	-62.59
CCC1=NOC2=NC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C12	REAL300009871008	0	35	-1.0	-50.77	316.99	4.14	-46.63
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300009871009	0	38	-2.0	-89.16	366.62	4.19	-84.97
N#CCCC(NC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300009871010	0	33	-1.0	-51.20	345.50	7.49	-43.71
N#CCCC(NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300009871011	0	34	-1.0	-54.46	347.00	8.34	-46.12
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871012	0	39	-1.0	-59.37	359.09	0.79	-58.58
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NC(CCC#N)C(=O)[O-])O1	REAL300009871013	0	39	-1.0	-59.25	352.35	2.61	-56.64
CS(=O)(=O)CC1(CC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300009871014	0	37	-1.0	-55.12	330.00	3.35	-51.77
N#CCCC(NC(=O)C1SCCC2=C1C=CS2)C(=O)[O-]	REAL300009871015	0	33	-1.0	-55.10	310.57	7.14	-47.96
N#CCCC(NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C(=O)[O-]	REAL300009871016	0	38	-1.0	-57.89	339.63	7.20	-50.69
N#CCCC(NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C(=O)[O-]	REAL300009871017	0	36	-1.0	-64.65	318.61	3.59	-61.06
CC(C)OCCS(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871018	0	42	-1.0	-61.06	374.61	0.88	-60.18
CNS(=O)(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)O1	REAL300009871019	0	36	-1.0	-54.69	337.52	1.04	-53.65
CSC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(Cl)C=C1Cl	REAL300009871020	0	32	-1.0	-50.55	324.74	7.97	-42.58
N#CCCC(NC(=O)CCC(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300009871021	0	36	-1.0	-51.24	328.89	7.38	-43.86
N#CCCC(NC(=O)C1=CC2=CC=CC=C2OC1=O)C(=O)[O-]	REAL300009871022	0	33	-1.0	-57.86	303.88	7.44	-50.42
CC(C)CCOC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871023	0	44	-1.0	-52.97	368.07	8.37	-44.60
N#CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)C=C1)C(=O)[O-]	REAL300009871024	0	40	-1.0	-50.31	360.01	6.99	-43.32
N#CCCC(NC(=O)CSC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300009871025	0	32	-1.0	-52.64	321.52	7.73	-44.91
N#CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300009871026	0	34	-1.0	-56.67	318.58	7.27	-49.40
CC(C)(C)C1=CC=C(OCC(=O)NC(CCC#N)C(=O)[O-])C(C(C)(C)C)=C1	REAL300009871027	0	56	-1.0	-55.30	437.95	11.40	-43.90
CC1=CC=CC(C2=NNC(=S)N2CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871028	0	41	-1.0	-53.62	371.26	9.05	-44.57
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871028	1	40	-2.0	-107.92	367.92	8.89	-99.03
N#CCCC(NC(=O)CCC1=NC(C2=CC=CS2)=NO1)C(=O)[O-]	REAL300009871029	0	36	-1.0	-54.87	344.91	5.10	-49.77
CS(=O)(=O)NCCC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])S1	REAL300009871030	0	39	-1.0	-61.65	371.06	2.72	-58.93
CC1OC2=CC=CC=C2N(CC(=O)NC(CCC#N)C(=O)[O-])C1=O	REAL300009871031	0	40	-1.0	-65.32	348.50	6.10	-59.22
N#CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300009871032	0	34	-1.0	-52.00	324.28	7.10	-44.90
N#CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300009871033	0	35	-1.0	-59.06	324.87	7.19	-51.87
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1N1CCNC1=O	REAL300009871034	0	41	-1.0	-59.89	355.83	5.90	-53.99
CN1C(=O)NC2=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300009871035	0	35	-1.0	-56.65	313.73	4.89	-51.76
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)NC(CCC#N)C(=O)[O-])C2)C=C1	REAL300009871036	0	49	-1.0	-58.09	416.65	6.48	-51.61
N#CCCC(NC(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300009871037	0	48	-1.0	-53.04	390.74	9.65	-43.39
CS(=O)(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300009871038	0	36	-1.0	-59.27	345.94	4.15	-55.12
CN1C(C(=O)NC(CCC#N)C(=O)[O-])=CC2=C1N(C)C(=O)N(C)C2=O	REAL300009871040	0	41	-1.0	-53.89	349.66	6.39	-47.50
CC(C)C1=CC=C(OCCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871041	0	44	-1.0	-52.29	370.94	8.24	-44.05
CC1=CC=C(OCCC(=O)NC(CCC#N)C(=O)[O-])C(Br)=C1	REAL300009871042	0	38	-1.0	-55.68	353.76	7.36	-48.32
N#CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1)C(=O)[O-]	REAL300009871043	0	35	-1.0	-54.38	351.89	8.37	-46.01
N#CCCC(NC(=O)C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300009871044	0	45	-1.0	-61.87	389.37	10.21	-51.66
N#CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300009871045	0	42	-1.0	-58.15	384.23	9.81	-48.34
COC1=CC=C(N2C=CC(C(=O)NC(CCC#N)C(=O)[O-])=N2)C=C1	REAL300009871046	0	39	-1.0	-57.02	347.94	6.41	-50.61
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)N1C1=CC=CC(Cl)=C1	REAL300009871047	0	42	-1.0	-55.91	380.43	10.42	-45.49
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])OC2=C(C)C=CC(C)=C12	REAL300009871048	0	40	-1.0	-53.29	342.36	8.26	-45.03
N#CCCC(NC(=O)CC1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300009871049	0	36	-1.0	-61.70	335.94	1.61	-60.09
N#CCCC(NC(=O)C1=CSC(C2=CC=CC=C2Cl)=N1)C(=O)[O-]	REAL300009871050	0	34	-1.0	-54.34	333.82	7.12	-47.22
N#CCCC(NC(=O)C1=CC=C(CNC(=O)C2CCCC2)C=C1)C(=O)[O-]	REAL300009871051	0	48	-1.0	-55.69	403.34	7.70	-47.99
CC(=O)NC(CC(=O)NC(CCC#N)C(=O)[O-])C1=C(F)C=CC=C1F	REAL300009871052	0	41	-1.0	-53.32	358.66	6.64	-46.68
CC1=CC=CC=C1C1=NC(C(=O)NC(CCC#N)C(=O)[O-])=CS1	REAL300009871053	0	37	-1.0	-53.33	343.52	7.56	-45.77
CC(C)C(CC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1	REAL300009871054	0	43	-1.0	-54.46	354.17	8.95	-45.51
COC1=CC=C(CC(=O)NC(CCC#N)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300009871055	0	37	-1.0	-64.70	337.23	7.39	-57.31
CC(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=C2OCCOC2=C1	REAL300009871056	0	40	-1.0	-56.28	341.27	6.39	-49.89
N#CCCC(NC(=O)COC1=CC=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300009871057	0	39	-1.0	-63.85	361.30	7.67	-56.18
CCCCCS(=O)(=O)CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871058	0	39	-1.0	-68.32	348.37	3.95	-64.37
N#CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C(=O)[O-]	REAL300009871059	0	35	-1.0	-52.79	318.71	7.17	-45.62
N#CCCC(NC(=O)C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1)C(=O)[O-]	REAL300009871060	0	39	-1.0	-55.46	366.37	8.24	-47.22
N#CCCC(NC(=O)C1=CC=C(C2=CC=C(OC(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300009871061	0	39	-1.0	-52.60	373.11	8.46	-44.14
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)N1C1=CC=CC=C1	REAL300009871062	0	42	-1.0	-56.59	363.72	9.91	-46.68
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)N1C1=CC=C(F)C=C1	REAL300009871063	0	42	-1.0	-55.10	370.10	9.98	-45.12
N#CCCC(NC(=O)COC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300009871064	0	38	-1.0	-58.46	335.81	8.85	-49.61
N#CCCC(NC(=O)CN1C=C(C(F)(F)F)C=CC1=O)C(=O)[O-]	REAL300009871065	0	34	-1.0	-54.03	323.81	6.26	-47.77
CC1CCN(C2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300009871066	0	48	-1.0	-57.29	400.73	9.82	-47.47
N#CCCC(NC(=O)CN1N=NC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300009871067	0	36	-1.0	-61.02	332.56	5.70	-55.32
CC1=CC(=O)OC2=CC(OCC(=O)NC(CCC#N)C(=O)[O-])=CC=C12	REAL300009871069	0	40	-1.0	-66.25	355.61	8.65	-57.60
N#CCCC(NC(=O)CCN1C2=CC=CC=C2SC2=CC=CC=C21)C(=O)[O-]	REAL300009871070	0	45	-1.0	-54.55	387.89	10.58	-43.97
CCCCOC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871071	0	41	-1.0	-53.16	351.33	7.81	-45.35
N#CCCC(NC(=O)CCSC1=CC=CC=C1Cl)C(=O)[O-]	REAL300009871072	0	35	-1.0	-52.52	336.91	8.37	-44.15
N#CCCC(NC(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2)S1)C(=O)[O-]	REAL300009871073	0	46	-1.0	-61.71	411.22	5.80	-55.91
CC1CC(C)CN(C2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C2[N+](=O)[O-])C1	REAL300009871074	0	51	-1.0	-57.15	414.28	10.66	-46.49
N#CCCC(NC(=O)CCC1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300009871075	0	36	-1.0	-53.88	333.94	6.92	-46.96
N#CCCC(NC(=O)C1=C(Cl)C2=C(Cl)C=C(Cl)C=C2S1)C(=O)[O-]	REAL300009871076	0	31	-1.0	-50.99	336.83	8.78	-42.21
N#CCCC(NC(=O)COC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300009871077	0	35	-1.0	-57.69	329.33	7.53	-50.16
N#CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1Cl)C(=O)[O-]	REAL300009871078	0	43	-1.0	-55.09	391.58	5.61	-49.48
N#CCCC(NC(=O)CN1C(=O)COC2=CC=CC=C21)C(=O)[O-]	REAL300009871079	0	37	-1.0	-65.33	328.20	5.42	-59.91
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871080	0	44	-1.0	-52.94	389.87	8.06	-44.88
COC(=O)NC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871082	0	36	-1.0	-63.80	324.02	4.20	-59.60
N#CCCC(NC(=O)C(=O)NCCCC1=CC=CC=C1)C(=O)[O-]	REAL300009871083	0	41	-1.0	-49.05	362.53	5.93	-43.12
CN(C)C(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871084	0	38	-1.0	-57.30	327.25	5.83	-51.47
CN(C)C(=O)C1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871085	0	38	-1.0	-67.43	326.36	5.66	-61.77
CC1=NC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=C(Cl)C=CC=C1Cl	REAL300009871086	0	37	-1.0	-62.17	361.91	8.46	-53.71
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871087	0	48	-1.0	-57.15	404.52	11.59	-45.56
N#CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300009871088	0	35	-2.0	-129.34	329.54	5.42	-123.92
N#CCCC(NC(=O)C1=CC=CC=C1C1=NC=C(C2=CC=CC=C2)O1)C(=O)[O-]	REAL300009871089	0	44	-1.0	-69.13	390.85	9.11	-60.02
N#CCCC(NC(=O)C1=CC=CC=C1OCCOC1=CC=CC=C1)C(=O)[O-]	REAL300009871090	0	46	-1.0	-66.35	396.10	10.21	-56.14
N#CCCC(NC(=O)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300009871091	0	41	-1.0	-54.57	358.34	7.44	-47.13
CCNC(=O)NC1(C(=O)NC(CCC#N)C(=O)[O-])CCCC1	REAL300009871092	0	43	-1.0	-57.05	354.06	3.33	-53.72
CCC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871093	0	51	-1.0	-58.27	397.69	10.18	-48.09
CC(C)C(CC1=CC=CC=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871094	0	43	-1.0	-53.59	351.17	9.37	-44.22
CC1=CC(F)=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1[N+](=O)[O-]	REAL300009871095	0	33	-1.0	-60.05	310.38	8.57	-51.48
N#CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300009871096	0	32	-1.0	-51.54	302.97	5.80	-45.74
N#CCCC(NC(=O)C1CCN(S(=O)(=O)C2=CC=CC=C2F)CC1)C(=O)[O-]	REAL300009871097	0	46	-1.0	-65.27	397.35	5.78	-59.49
CS(=O)(=O)CC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871098	0	37	-1.0	-65.14	342.13	4.18	-60.96
CCOC1=CC(C=CC(=O)NC(CCC#N)C(=O)[O-])=CC=C1OC(F)F	REAL300009871099	0	43	-1.0	-56.48	381.81	7.59	-48.89
COC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1S(=O)(=O)NC1CC1	REAL300009871100	0	44	-1.0	-62.87	394.23	3.63	-59.24
CS(=O)(=O)N1CCC2=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300009871101	0	40	-1.0	-59.64	355.29	4.69	-54.95
N#CCCC(NC(=O)CN1N=C2C=CC=CN2C1=O)C(=O)[O-]	REAL300009871102	0	34	-1.0	-69.00	315.41	6.36	-62.64
COC1=CC=C(C(=O)NCCCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871103	0	45	-1.0	-57.11	388.24	5.24	-51.87
N#CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2F)C1)C(=O)[O-]	REAL300009871104	0	39	-1.0	-55.19	356.99	7.35	-47.84
N#CCCC(NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2)C(=O)[O-]	REAL300009871105	0	42	-1.0	-56.23	376.59	9.00	-47.23
N#CCCC(NC(=O)CS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300009871106	0	34	-1.0	-61.91	341.18	4.33	-57.58
N#CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300009871107	0	35	-1.0	-50.38	348.72	7.45	-42.93
N#CCCC(NC(=O)CNC(=O)CC1CCCCC1)C(=O)[O-]	REAL300009871108	0	44	-1.0	-51.16	360.51	5.41	-45.75
N#CCCC(NC(=O)CSCC(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300009871109	0	37	-1.0	-62.50	362.90	8.39	-54.11
N#CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)C(=O)[O-]	REAL300009871110	0	41	-1.0	-60.98	364.17	8.95	-52.03
N#CCCC(NC(=O)CCC1NC(=O)N(C2=CC=C(Cl)C=C2)C1=O)C(=O)[O-]	REAL300009871111	0	43	-1.0	-58.59	388.90	6.15	-52.44
N#CCCC(NC(=O)CCCSC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300009871112	0	38	-1.0	-54.20	363.86	9.34	-44.86
CC(CSC1=CC=CC=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871113	0	38	-1.0	-52.19	338.47	8.54	-43.65
N#CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1Br)C(=O)[O-]	REAL300009871114	0	35	-1.0	-54.85	344.05	7.81	-47.04
N#CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300009871115	0	44	-1.0	-58.61	399.09	7.45	-51.16
COC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC([N-]S(C)(=O)=O)=C1OC	REAL300009871116	0	43	-2.0	-114.98	389.67	2.14	-112.84
COC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(NS(C)(=O)=O)=C1OC	REAL300009871116	1	44	-1.0	-59.68	390.82	2.12	-57.56
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871117	0	40	-1.0	-54.45	362.28	5.34	-49.11
CC1=CC(CSC2=NC=CC=C2C(=O)NC(CCC#N)C(=O)[O-])=NO1	REAL300009871118	0	40	-1.0	-60.17	368.77	7.46	-52.71
N#CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NC2=CC=CC=C21)C(=O)[O-]	REAL300009871119	0	43	-1.0	-52.76	386.49	10.59	-42.17
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])SC(COC2=CC=C(F)C=C2)=N1	REAL300009871120	0	41	-1.0	-53.50	379.48	7.11	-46.39
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])SC(C2CCCC2)=N1	REAL300009871121	0	40	-1.0	-51.23	348.57	7.17	-44.06
CCCN(C)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871122	0	42	-1.0	-55.15	351.40	8.10	-47.05
N#CCCC(NC(=O)C1=CC=CC=C1CSC1=NC2=CC=CC=C2N1)C(=O)[O-]	REAL300009871123	0	45	-1.0	-60.86	400.99	9.81	-51.05
N#CCCC(NC(=O)C1=CC=CN=C1NC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300009871124	0	42	-1.0	-55.93	378.53	9.50	-46.43
N#CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1)C(=O)[O-]	REAL300009871125	0	39	-2.0	-107.90	353.02	7.14	-100.76
N#CCCC(NC(=O)CN1C=NC2=CC=CC=C2C1=O)C(=O)[O-]	REAL300009871126	0	36	-1.0	-68.72	326.52	7.18	-61.54
N#CCCC(NC(=O)C1=CC(F)=C(F)C=C1Br)C(=O)[O-]	REAL300009871127	0	28	-1.0	-48.16	285.19	6.77	-41.39
CC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C(Br)=C1	REAL300009871128	0	31	-1.0	-54.49	294.74	7.26	-47.23
N#CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300009871129	0	37	-1.0	-68.08	341.60	8.25	-59.83
CCS(=O)C1=CC=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871130	0	36	-1.0	-51.48	324.01	5.50	-45.98
N#CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)C(=O)[O-]	REAL300009871131	0	45	-1.0	-62.84	391.39	11.49	-51.35
CC1=NC(C2=CC=CS2)=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871132	0	37	-1.0	-52.99	337.59	7.60	-45.39
CCCN1C(C)=C(C(=O)NC(CCC#N)C(=O)[O-])C2=CC(OC)=CC=C21	REAL300009871133	0	48	-1.0	-68.42	406.24	9.05	-59.37
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871134	0	37	-1.0	-69.87	336.54	7.27	-62.60
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NC(CCC#N)C(=O)[O-])=C12	REAL300009871135	0	43	-1.0	-50.55	367.92	7.58	-42.97
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC(C)=CC=C1C	REAL300009871136	0	44	-1.0	-54.98	374.41	9.21	-45.77
N#CCCC(NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300009871137	0	34	-1.0	-53.30	334.61	8.58	-44.72
N#CCCC(NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C(=O)[O-]	REAL300009871138	0	37	-1.0	-54.59	338.77	8.62	-45.97
N#CCCC(NC(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300009871139	0	31	-1.0	-52.39	308.47	7.37	-45.02
N#CCCC(NC(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C(=O)[O-]	REAL300009871140	0	40	-1.0	-62.14	356.22	9.47	-52.67
N#CCCC(NC(=O)C12CCC(CC1Br)C2)C(=O)[O-]	REAL300009871141	0	35	-1.0	-51.63	302.81	7.06	-44.57
CCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C2O1	REAL300009871142	0	37	-1.0	-57.92	331.02	7.85	-50.07
CC(C)CN1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C(F)F	REAL300009871143	0	40	-1.0	-54.43	347.31	6.81	-47.62
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1CCCC1	REAL300009871144	0	41	-1.0	-54.17	342.87	7.19	-46.98
N#CCCC(NC(=O)COC1=CC=CC=C1Br)C(=O)[O-]	REAL300009871145	0	32	-1.0	-58.54	311.04	7.19	-51.35
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871146	0	38	-1.0	-59.40	349.02	8.57	-50.83
N#CCCC(NC(=O)C1=CC(F)=CC2=CC=CN=C21)C(=O)[O-]	REAL300009871147	0	33	-1.0	-60.67	302.57	6.85	-53.82
N#CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C(=O)[O-]	REAL300009871148	0	44	-1.0	-57.11	387.82	8.15	-48.96
N#CCCC(NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C(=O)[O-]	REAL300009871149	0	44	-1.0	-54.11	368.09	6.47	-47.64
CC(CC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300009871150	0	40	-1.0	-53.97	353.16	9.20	-44.77
N#CCCC(NC(=O)C1=CN=CN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300009871151	0	36	-1.0	-53.31	320.72	7.51	-45.80
N#CCCC(NC(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300009871152	0	32	-1.0	-56.82	300.07	7.05	-49.77
N#CCCC(NC(=O)CCCC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300009871153	0	43	-1.0	-56.63	370.72	10.50	-46.13
N#CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)C(=O)[O-]	REAL300009871154	0	43	-1.0	-52.40	361.01	6.22	-46.18
N#CCCC(NC(=O)C1(C2=CC=C(F)C=C2F)CCC1)C(=O)[O-]	REAL300009871155	0	38	-1.0	-47.48	321.58	8.60	-38.88
CC1=CC(Br)=CC=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871156	0	34	-1.0	-52.78	319.33	7.84	-44.94
CC(C)(OC1=CC=C(F)C=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871157	0	38	-1.0	-54.84	323.12	7.55	-47.29
N#CCCC(NC(=O)C(=CC1=CC=CO1)N1N=NN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300009871158	0	44	-1.0	-66.70	395.22	8.14	-58.56
N#CCCC(NC(=O)C1CC(=O)N(CC2=CC=CO2)C1)C(=O)[O-]	REAL300009871159	0	39	-1.0	-54.78	346.72	5.66	-49.12
N#CCCC(NC(=O)C1=CC=CC(Br)=C1Cl)C(=O)[O-]	REAL300009871160	0	28	-1.0	-54.94	288.99	7.04	-47.90
N#CCCC(NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C(=O)[O-]	REAL300009871161	0	37	-1.0	-53.98	354.08	7.52	-46.46
CCSC1=CC(Cl)=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871162	0	35	-1.0	-52.95	330.15	8.39	-44.56
N#CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)CC1)C(=O)[O-]	REAL300009871163	0	42	-1.0	-49.17	369.27	7.13	-42.04
N#CCCC(NC(=O)C1CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300009871164	0	36	-1.0	-63.25	324.90	7.35	-55.90
CC(C)OC1=NC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300009871165	0	37	-1.0	-50.38	341.41	5.14	-45.24
COC(=O)COC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871166	0	38	-1.0	-64.12	342.92	6.90	-57.22
N#CCCC(NC(=O)C1=CC=NC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300009871167	0	41	-1.0	-55.34	366.23	6.69	-48.65
N#CCCC(NC(=O)CN1C=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300009871168	0	35	-1.0	-59.33	330.76	8.66	-50.67
N#CCCC(NC(=O)C1CC1C1=CC=CC=C1Cl)C(=O)[O-]	REAL300009871169	0	35	-1.0	-54.94	323.03	8.45	-46.49
N#CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2N1)C(=O)[O-]	REAL300009871170	0	32	-1.0	-50.34	311.27	6.56	-43.78
N#CCCC(NC(=O)C1=CC2=C(F)C=C(Br)C=C2N1)C(=O)[O-]	REAL300009871171	0	32	-1.0	-50.82	318.37	6.66	-44.16
N#CCCC(NC(=O)C1=C(Cl)C2=CC(Cl)=CC=C2N1)C(=O)[O-]	REAL300009871172	0	32	-1.0	-52.42	322.21	6.96	-45.46
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871173	0	35	-1.0	-57.00	331.03	7.94	-49.06
N#CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2N1)C(=O)[O-]	REAL300009871174	0	32	-1.0	-53.39	309.21	6.53	-46.86
N#CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F)C(=O)[O-]	REAL300009871175	0	45	-1.0	-53.01	384.88	11.20	-41.81
N#CCCC(NC(=O)C1=CC2=C(OC(F)(F)F)C=CC=C2N1)C(=O)[O-]	REAL300009871176	0	36	-1.0	-53.77	336.93	5.72	-48.05
N#CCCC(NC(=O)CCCC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300009871177	0	41	-1.0	-57.60	356.51	8.28	-49.32
N#CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300009871178	0	37	-1.0	-56.58	343.62	6.35	-50.23
N#CCCC(NC(=O)CCC1=C(C2=CC=C(F)C=C2)NC2=CC=CC=C21)C(=O)[O-]	REAL300009871179	0	48	-1.0	-55.41	417.41	10.98	-44.43
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871180	0	45	-1.0	-59.25	386.45	7.10	-52.15
CCC1=C2NC=C(CC(=O)NC(CCC#N)C(=O)[O-])C2=CC=C1	REAL300009871181	0	41	-1.0	-56.25	356.53	8.12	-48.13
COC(=O)C1=CC=C(CCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871182	0	40	-1.0	-54.62	357.94	8.12	-46.50
CCN1C=C(CC(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C21	REAL300009871183	0	41	-1.0	-56.35	357.67	9.39	-46.96
N#CCCC(NC(=O)CC1=CNC2=CC(F)=CC=C12)C(=O)[O-]	REAL300009871184	0	35	-1.0	-54.66	319.79	6.83	-47.83
CC1=C2C=C(C(=O)NC(CCC#N)C(=O)[O-])NC2=CC(F)=C1	REAL300009871185	0	35	-1.0	-50.93	318.03	6.61	-44.32
CN1C(C(=O)NC(CCC#N)C(=O)[O-])=CC2=CC(C(F)(F)F)=CC=C21	REAL300009871186	0	38	-1.0	-51.45	347.07	8.52	-42.93
CN1C=C(CCC(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C21	REAL300009871187	0	41	-1.0	-54.44	356.63	9.27	-45.17
N#CCCC(NC(=O)CCC1=NC(C2CCCC2)=NO1)C(=O)[O-]	REAL300009871188	0	42	-1.0	-52.76	360.25	5.42	-47.34
CC(CC1=CC=C(F)C(Br)=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871189	0	37	-1.0	-50.58	344.70	8.63	-41.95
N#CCCC(NC(=O)COC1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300009871190	0	42	-1.0	-57.03	353.35	9.03	-48.00
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871191	0	39	-1.0	-51.30	342.11	7.96	-43.34
COC1=CC=C(C(C)(C)C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871192	0	41	-1.0	-55.88	341.98	6.92	-48.96
COC1=CC=C(Br)C(CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871193	0	35	-1.0	-54.82	328.61	6.48	-48.34
N#CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C(=O)[O-]	REAL300009871194	0	35	-1.0	-55.80	338.22	8.85	-46.95
COC1=CC(C#N)=CC=C1OCC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871195	0	37	-1.0	-60.39	339.83	6.73	-53.66
N#CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2N1)C(=O)[O-]	REAL300009871196	0	32	-1.0	-51.32	312.10	6.54	-44.78
N#CCCC(NC(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C(=O)[O-]	REAL300009871197	0	36	-1.0	-57.55	331.56	7.36	-50.19
COC1=CC=C2NC=C(CC(=O)NC(CCC#N)C(=O)[O-])C2=C1	REAL300009871198	0	39	-1.0	-57.82	343.16	5.98	-51.84
CC(OC1=CC=CC(C#N)=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871199	0	36	-1.0	-59.81	328.08	7.53	-52.28
N#CCCC(NC(=O)CC1=CNC2=CC(Cl)=CC=C12)C(=O)[O-]	REAL300009871200	0	35	-1.0	-54.32	330.09	7.26	-47.06
N#CCCC(NC(=O)CC1=CNC2=CC=C(F)C=C12)C(=O)[O-]	REAL300009871201	0	35	-1.0	-55.35	319.87	6.83	-48.52
CC1=C2NC=C(CCC(=O)NC(CCC#N)C(=O)[O-])C2=CC=C1	REAL300009871202	0	41	-1.0	-57.54	356.02	8.21	-49.33
CC1=CC=C2NC=C(CCC(=O)NC(CCC#N)C(=O)[O-])C2=C1	REAL300009871203	0	41	-1.0	-57.65	356.15	8.24	-49.41
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871204	0	45	-1.0	-67.47	383.75	6.80	-60.67
N#CCCC(NC(=O)C1=CC=NC=C1Br)C(=O)[O-]	REAL300009871205	0	27	-1.0	-52.05	268.74	4.83	-47.22
COC1=CC=C(C2=NNC(C(=O)NC(CCC#N)C(=O)[O-])=C2)C=C1	REAL300009871206	0	39	-1.0	-52.49	347.98	5.29	-47.20
CCC(CC(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(OC)C=C1	REAL300009871207	0	44	-1.0	-54.19	365.72	7.83	-46.36
COC1=CC2=C(CC(=O)NC(CCC#N)C(=O)[O-])C=CC=C2C=C1	REAL300009871208	0	41	-1.0	-57.16	353.73	8.07	-49.09
COC1=CC=C(CC(C)C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871209	0	41	-1.0	-53.07	347.73	7.28	-45.79
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=CC=C(C)C=C1	REAL300009871210	0	41	-1.0	-57.35	360.14	8.24	-49.11
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871211	0	37	-1.0	-51.61	333.90	7.47	-44.14
COC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C(OC(C)C)=C1	REAL300009871212	0	42	-1.0	-58.55	352.71	7.40	-51.15
CCOC1=CC=CC=C1C(=O)NCC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871213	0	42	-1.0	-56.29	365.23	5.94	-50.35
N#CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1)C(=O)[O-]	REAL300009871214	0	43	-1.0	-57.82	395.33	4.13	-53.69
N#CCCC(NC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C(=O)[O-]	REAL300009871215	0	42	-1.0	-58.28	351.51	8.52	-49.76
CC1CCC2=C(C1)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1N2	REAL300009871216	0	45	-1.0	-58.42	372.51	9.13	-49.29
CC1=CC=CC(N2N=C(C(=O)NC(CCC#N)C(=O)[O-])CCC2=O)=C1	REAL300009871217	0	42	-1.0	-51.04	367.84	7.30	-43.74
N#CCCC(NC(=O)C=CC1=CC=C(OCC#N)C=C1)C(=O)[O-]	REAL300009871218	0	37	-1.0	-59.65	342.00	7.24	-52.41
N#CCCC(NC(=O)CN1C(=O)OC2=CC=CC=C21)C(=O)[O-]	REAL300009871219	0	34	-1.0	-67.65	315.17	6.56	-61.09
CC(OC1=CC=C(C#N)C=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871220	0	36	-1.0	-56.95	328.87	7.52	-49.43
CC1=NC(SCC(=O)NC(CCC#N)C(=O)[O-])=C(C#N)C(C)=C1C	REAL300009871221	0	41	-1.0	-58.70	370.83	7.47	-51.23
CC1=C(Cl)C=CC=C1N1C=CN=C1SCC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871222	0	42	-1.0	-54.86	392.96	10.12	-44.74
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)N1CC1=CC=CO1	REAL300009871223	0	42	-1.0	-57.30	363.15	8.57	-48.73
N#CCCC(NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300009871224	0	34	-1.0	-50.68	321.87	7.13	-43.55
CC1=CC=CC(C2=CN=CC(C(=O)NC(CCC#N)C(=O)[O-])=C2)=C1	REAL300009871225	0	40	-1.0	-53.58	347.85	8.26	-45.32
CS(=O)(=O)NC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871226	0	36	-1.0	-56.78	330.65	2.69	-54.09
CS(=O)(=O)NC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1F	REAL300009871227	0	36	-1.0	-62.02	335.78	2.83	-59.19
CC1=NOC(C)=C1S(=O)(=O)NC(C)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871228	0	41	-1.0	-56.46	365.38	1.91	-54.55
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871229	0	51	-1.0	-56.62	433.22	5.36	-51.26
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])O1	REAL300009871230	0	42	-1.0	-55.20	368.06	2.36	-52.84
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])O1	REAL300009871230	1	41	-2.0	-95.59	372.10	2.18	-93.41
CC(C)(C)NS(=O)(=O)CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871231	0	38	-1.0	-62.64	325.55	1.40	-61.24
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871232	0	35	-2.0	-103.70	331.31	3.10	-100.60
N#CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C(=O)[O-]	REAL300009871233	0	35	-2.0	-125.45	324.44	5.24	-120.21
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300009871234	0	34	-1.0	-51.03	317.20	8.06	-42.97
N#CCCC(NC(=O)C1=CC=NC(N2CCCC2)=N1)C(=O)[O-]	REAL300009871235	0	38	-1.0	-52.28	327.89	5.95	-46.33
N#CCCC(NC(=O)C1=CC(N2CCCC2)=CC=N1)C(=O)[O-]	REAL300009871236	0	39	-1.0	-53.81	333.25	4.84	-48.97
CN(CC(=O)NC(CCC#N)C(=O)[O-])C1CCS(=O)(=O)C1	REAL300009871237	0	39	-1.0	-61.14	334.54	0.71	-60.43
CN1C=C(S(N)(=O)=O)C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871238	0	34	-1.0	-57.61	317.96	0.35	-57.26
N#CCCC(NC(=O)C=CC1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300009871239	0	37	-1.0	-59.53	345.49	2.18	-57.35
CC(C)(C)C(Br)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871240	0	33	-1.0	-50.79	291.58	5.90	-44.89
CC1CN(C2=CC=NC(C(=O)NC(CCC#N)C(=O)[O-])=C2)CC(C)O1	REAL300009871241	0	46	-1.0	-54.54	381.02	4.57	-49.97
CC1=NC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=NN=CN1	REAL300009871242	0	33	-1.0	-56.37	309.76	7.70	-48.67
CC1=NC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=NNC=N1	REAL300009871242	1	33	-1.0	-64.85	308.33	7.35	-57.50
CC1=NC(COC2=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C2)=NO1	REAL300009871243	0	40	-1.0	-62.41	359.08	4.81	-57.60
N#CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1F)C(=O)[O-]	REAL300009871244	0	28	-1.0	-51.23	284.19	6.61	-44.62
COC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1[N+](=O)[O-]	REAL300009871245	0	34	-1.0	-69.68	312.70	7.16	-62.52
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1Br	REAL300009871246	0	31	-1.0	-51.13	296.30	7.22	-43.91
N#CCCC(NC(=O)C1=CN(C2CC2)C2=CC(Cl)=C(F)C=C2C1=O)C(=O)[O-]	REAL300009871247	0	41	-1.0	-60.29	373.70	9.43	-50.86
N#CCCC(NC(=O)CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300009871248	0	31	-1.0	-52.61	308.65	7.79	-44.82
N#CCCC(NC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300009871249	0	30	-1.0	-58.63	301.40	7.16	-51.47
N#CCCC(NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300009871250	0	35	-1.0	-52.90	327.71	6.43	-46.47
N#CCCC(NC(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300009871251	0	28	-1.0	-55.24	283.64	6.59	-48.65
N#CCCC(NC(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300009871252	0	28	-1.0	-51.28	293.17	7.06	-44.22
N#CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300009871253	0	34	-1.0	-52.66	324.16	8.91	-43.75
CN1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C1=CC=CC=C1	REAL300009871254	0	38	-1.0	-57.09	332.43	7.08	-50.01
N#CCCC(NC(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300009871255	0	31	-1.0	-54.01	303.11	7.56	-46.45
N#CCCC(NC(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300009871256	0	31	-1.0	-51.64	306.08	7.28	-44.36
N#CCCC(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C(=O)[O-]	REAL300009871257	0	28	-2.0	-102.24	280.52	4.14	-98.10
N#CCCC(NC(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300009871258	0	27	-1.0	-54.73	270.35	4.93	-49.80
N#CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300009871259	0	31	-1.0	-49.01	301.33	7.03	-41.98
N#CCCC(NC(=O)C1=CC=CN=C1C(F)(F)F)C(=O)[O-]	REAL300009871260	0	30	-1.0	-59.02	283.71	5.35	-53.67
N#CCCC(NC(=O)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1)C(=O)[O-]	REAL300009871261	0	42	-1.0	-56.43	379.08	8.44	-47.99
N#CCCC(NC(=O)C1(CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300009871262	0	38	-1.0	-54.38	339.17	9.00	-45.38
CS(=O)(=O)C1=CC=CC=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871263	0	37	-1.0	-70.20	328.63	4.42	-65.78
COC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1C1=CC=CC=N1	REAL300009871264	0	41	-1.0	-57.23	355.48	7.72	-49.51
COC1=CC=C(OC)C(C2CC2C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871265	0	43	-1.0	-56.43	366.65	6.67	-49.76
CC1=CN(CC2=CC(C(=O)NC(CCC#N)C(=O)[O-])=NO2)N=C1	REAL300009871266	0	37	-1.0	-56.84	341.97	5.75	-51.09
N#CCCC(NC(=O)C1=C2N=CC(Br)=CN2N=C1)C(=O)[O-]	REAL300009871267	0	30	-1.0	-59.96	302.70	5.49	-54.47
CC(C)C1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC=CC=C1Cl	REAL300009871268	0	44	-1.0	-54.12	379.68	9.46	-44.66
CCCCOC1=CC(OCCC)=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871269	0	51	-1.0	-57.74	421.14	10.11	-47.63
CC1(C2=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C2)NC(=O)NC1=O	REAL300009871270	0	40	-1.0	-58.68	352.35	3.05	-55.63
N#CCCC(NC(=O)C1=CC=NC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300009871271	0	32	-1.0	-58.29	307.23	-0.90	-59.19
CN1C=CN=C1CN1CCC(C(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300009871272	0	46	-1.0	-55.29	375.28	5.54	-49.75
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300009871272	1	47	0.0	-81.30	374.78	7.82	-73.48
N#CCCC(NC(=O)C1(CC2=CC=CC(F)=C2)CCC1)C(=O)[O-]	REAL300009871273	0	41	-1.0	-55.23	348.98	8.94	-46.29
N#CCCC(NC(=O)C1=CSC(C2CCCO2)=N1)C(=O)[O-]	REAL300009871274	0	35	-1.0	-54.66	323.06	3.96	-50.70
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871275	0	41	-1.0	-49.40	377.44	6.36	-43.04
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=CC=C1C1=CC=CC=N1	REAL300009871276	0	40	-1.0	-60.39	338.23	9.13	-51.26
N#CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300009871277	0	32	-1.0	-52.50	302.22	5.82	-46.68
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871278	0	49	-1.0	-66.63	405.07	7.87	-58.76
CC1CN(C2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=N2)CC(C)O1	REAL300009871279	0	46	-1.0	-52.71	380.87	5.74	-46.97
CC(C)CC1=CC=C(C=CC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871280	0	44	-1.0	-53.19	372.50	9.91	-43.28
COC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1OC1CCCC1	REAL300009871281	0	46	-1.0	-55.69	380.05	8.16	-47.53
CCCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC=CC=C1	REAL300009871282	0	44	-1.0	-55.97	376.44	9.01	-46.96
COC1=CC(CC(=O)NC(CCC#N)C(=O)[O-])=CC(OC)=C1O	REAL300009871283	0	40	-1.0	-59.22	351.20	3.66	-55.56
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])SC2=NC=CC(C)=C12	REAL300009871284	0	36	-1.0	-54.60	319.64	6.57	-48.03
N#CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300009871285	0	30	-1.0	-50.80	306.57	7.26	-43.54
N#CCCC(NC(=O)C1=CC=C(Br)C=C1C(F)(F)F)C(=O)[O-]	REAL300009871286	0	31	-1.0	-54.07	308.52	7.61	-46.46
CCC1=CC=C2OC=C(C(=O)NC(CCC#N)C(=O)[O-])C2=C1	REAL300009871287	0	37	-1.0	-58.82	328.67	7.73	-51.09
COC1=C(S(N)(=O)=O)SC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871288	0	34	-1.0	-56.95	334.57	-0.67	-57.62
N#CCCC(NC(=O)C1=CC=CC=C1SC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300009871289	0	41	-1.0	-59.58	375.05	10.55	-49.03
N#CCCC(NC(=O)C1=CC=CC=C1CCC(F)(F)F)C(=O)[O-]	REAL300009871290	0	37	-1.0	-54.18	331.01	8.55	-45.63
CC1=CC=C(S(N)(=O)=O)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871291	0	36	-1.0	-61.85	320.28	2.98	-58.87
COCC1=NC(C(=O)NC(CCC#N)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300009871292	0	41	-1.0	-55.26	376.72	6.56	-48.70
N#CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1F)C(=O)[O-]	REAL300009871293	0	28	-1.0	-52.34	298.95	7.13	-45.21
CCN1N=CC2=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)N=C21	REAL300009871294	0	39	-1.0	-53.94	339.62	6.67	-47.27
N#CCCC(NC(=O)C(F)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300009871295	0	34	-1.0	-50.45	323.98	7.74	-42.71
N#CCCC(NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300009871296	0	37	-1.0	-68.48	337.59	8.46	-60.02
COCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC=CC=C1	REAL300009871297	0	42	-1.0	-55.99	364.01	6.83	-49.16
N#CCCC(NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C(=O)[O-]	REAL300009871298	0	34	-1.0	-59.41	314.22	1.97	-57.44
CC(C)COC1=CC=CC(OCC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871299	0	45	-1.0	-58.69	382.74	8.30	-50.39
CS(=O)(=O)C1=CC=C(F)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871300	0	34	-1.0	-64.97	322.29	3.58	-61.39
N#CCCC(NC(=O)CNC(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300009871301	0	35	-1.0	-51.06	328.74	4.58	-46.48
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C12	REAL300009871302	0	43	-1.0	-56.87	382.55	9.24	-47.63
N#CCCC(NC(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300009871303	0	31	-1.0	-49.68	312.51	7.49	-42.19
CC(C)(CCC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1	REAL300009871304	0	43	-1.0	-54.51	349.81	8.83	-45.68
COC1=CC=C(C2(C(=O)NC(CCC#N)C(=O)[O-])CCCC2)C=C1OC	REAL300009871305	0	49	-1.0	-55.50	388.88	8.22	-47.28
COC1=CC=C(C(=O)N2CCCC2C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871306	0	46	-1.0	-58.89	384.04	6.33	-52.56
CC1=CN2C(=NC=C(C(=O)NC(CCC#N)C(=O)[O-])C2=O)S1	REAL300009871307	0	33	-1.0	-60.68	311.84	6.11	-54.57
N#CCCC(NC(=O)CSC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300009871308	0	32	-1.0	-53.69	320.69	7.76	-45.93
CC(=O)C1=C(C)NC(C(=O)NC(CCC#N)C(=O)[O-])=C1C(C)C	REAL300009871309	0	43	-1.0	-55.11	359.39	6.69	-48.42
N#CCCC(NC(=O)C1=CC=C(Br)C(OC(F)(F)F)=C1)C(=O)[O-]	REAL300009871310	0	32	-1.0	-52.03	323.21	6.51	-45.52
N#CCCC(NC(=O)C1CC(=O)N(CCOC2=CC=CC=C2Cl)C1)C(=O)[O-]	REAL300009871311	0	46	-1.0	-56.05	410.24	7.84	-48.21
N#CCCC(NC(=O)C1=COC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300009871312	0	30	-1.0	-59.14	296.22	-1.00	-60.14
CN(C)S(=O)(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CO1	REAL300009871313	0	36	-1.0	-58.02	338.47	1.98	-56.04
CNS(=O)(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CO1	REAL300009871314	0	33	-1.0	-58.83	319.48	0.18	-58.65
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CO1	REAL300009871314	1	32	-2.0	-101.48	315.63	-0.24	-101.72
CC1=CC=C(F)C(C(=O)NC(CCC#N)C(=O)[O-])=C1Br	REAL300009871315	0	31	-1.0	-57.11	305.05	7.03	-50.08
N#CCCC(NC(=O)C1CCCN(CC(F)(F)F)C1)C(=O)[O-]	REAL300009871316	0	39	-1.0	-52.80	327.05	4.43	-48.37
CC(C)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300009871317	0	39	-1.0	-56.41	341.84	8.52	-47.89
CC(C)(COCC1=CC=CC=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871318	0	44	-1.0	-52.30	373.49	8.11	-44.19
CC1=NC(C(=O)NC(CCC#N)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300009871319	0	37	-1.0	-56.13	334.55	5.09	-51.04
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871320	0	38	-1.0	-57.29	336.88	7.80	-49.49
N#CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=NN1)C(=O)[O-]	REAL300009871321	0	38	-1.0	-51.69	342.18	6.77	-44.92
CS(=O)(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CS1	REAL300009871322	0	31	-1.0	-59.67	311.17	2.46	-57.21
N#CCCC(NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=CN1)C(=O)[O-]	REAL300009871323	0	37	-1.0	-66.06	330.55	9.06	-57.00
N#CCCC(NC(=O)CC1CC(C2=CC=CC=C2)C1)C(=O)[O-]	REAL300009871324	0	41	-1.0	-53.96	346.19	9.29	-44.67
N#CCCC(NC(=O)C1=NC=CC2=C(S(N)(=O)=O)C=CC=C12)C(=O)[O-]	REAL300009871325	0	38	-1.0	-55.94	344.65	1.47	-54.47
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871326	0	40	-1.0	-61.38	350.91	4.91	-56.47
CC1=CC(S(C)(=O)=O)=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300009871327	0	40	-1.0	-61.47	350.43	4.77	-56.70
N#CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C(=O)[O-]	REAL300009871328	0	42	-1.0	-55.14	367.88	9.01	-46.13
N#CCCC(NC(=O)C1=CSC(C2=CC=C(F)C(F)=C2)=N1)C(=O)[O-]	REAL300009871329	0	34	-1.0	-55.76	337.03	6.89	-48.87
CC1=CC=C(C(=O)NCCC(=O)NC(CCC#N)C(=O)[O-])C(O)=C1	REAL300009871330	0	42	-1.0	-63.97	367.58	4.34	-59.63
COC1=CC2=CC=C([C@H](C)C(=O)NC(CCC#N)C(=O)[O-])C=C2C=C1	REAL300009871331	0	44	-1.0	-59.02	372.90	8.73	-50.29
N#CCCC(NC(=O)CC1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300009871332	0	31	-1.0	-51.35	310.88	7.60	-43.75
N#CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300009871333	0	28	-1.0	-51.03	293.17	7.05	-43.98
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871334	0	43	-1.0	-62.42	380.71	5.72	-56.70
CC(=O)NC1=CC=CC=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871335	0	38	-1.0	-54.61	334.90	5.73	-48.88
CC1=CC(OCC(=O)NC(CCC#N)C(=O)[O-])=CC(C)=C1Cl	REAL300009871336	0	38	-1.0	-55.35	344.79	8.20	-47.15
CC(=O)N(CCC1=CC=CC=C1)CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871337	0	44	-1.0	-59.10	376.34	8.33	-50.77
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(Cl)=C1Br	REAL300009871338	0	31	-1.0	-48.82	310.49	7.65	-41.17
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871339	0	45	-1.0	-63.82	380.99	4.31	-59.51
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1CCOCC1	REAL300009871340	0	42	-1.0	-54.58	351.79	5.28	-49.30
CCC(CC)N1N=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1C	REAL300009871341	0	43	-1.0	-56.89	361.90	7.35	-49.54
COC1=CC=C(SC)C(OC)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871342	0	40	-1.0	-60.48	357.30	5.74	-54.74
CCS(=O)(=O)C1=CC=CC(CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871343	0	40	-1.0	-62.73	363.61	5.12	-57.61
CCC(CC)N1N=C(C)C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871344	0	43	-1.0	-52.48	359.60	7.36	-45.12
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871345	0	43	-1.0	-58.63	371.92	7.09	-51.54
CN1C=NC(C2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C2)=N1	REAL300009871346	0	37	-1.0	-58.92	334.31	8.13	-50.79
N#CCCC(NC(=O)C1=C(C2CCCC2)N=CS1)C(=O)[O-]	REAL300009871347	0	37	-1.0	-52.47	324.64	6.43	-46.04
N#CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300009871348	0	30	-1.0	-51.06	297.68	7.01	-44.05
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871349	0	38	-1.0	-51.30	333.09	7.97	-43.33
CC1=NC(C2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C2)=CS1	REAL300009871350	0	37	-1.0	-56.69	341.34	7.40	-49.29
COC1=CC=CC(C2=NNC(C(=O)NC(CCC#N)C(=O)[O-])=C2)=C1	REAL300009871351	0	39	-1.0	-53.49	347.80	5.37	-48.12
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])N=NN1CC1=CC=C(F)C=C1	REAL300009871352	0	40	-1.0	-54.39	358.16	6.65	-47.74
N#CCCC(NC(=O)C1=CC=NC=C1C(F)(F)F)C(=O)[O-]	REAL300009871353	0	30	-1.0	-55.01	282.79	5.21	-49.80
CC1=C(CC(=O)NC(CCC#N)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300009871354	0	36	-1.0	-54.29	320.94	7.70	-46.59
N#CCCC(NC(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300009871355	0	30	-1.0	-57.56	284.37	5.36	-52.20
N#CCCC(NC(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300009871356	0	30	-1.0	-50.51	291.20	5.17	-45.34
N#CCCC(NC(=O)C1=CC2=CC(F)=CC=C2N=C1)C(=O)[O-]	REAL300009871357	0	33	-1.0	-51.75	304.80	6.42	-45.33
N#CCCC(NC(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300009871358	0	27	-1.0	-51.34	285.33	4.07	-47.27
CCOC1=NC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300009871359	0	34	-1.0	-50.23	321.27	4.23	-46.00
N#CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C(=O)[O-]	REAL300009871360	0	35	-1.0	-57.71	321.21	7.34	-50.37
N#CCCC(NC(=O)C1CCC(=O)C2=CC=CC=C21)C(=O)[O-]	REAL300009871361	0	37	-1.0	-55.01	319.01	7.40	-47.61
CC1=CC=C2C(C(=O)NC(CCC#N)C(=O)[O-])=CSC2=C1	REAL300009871362	0	34	-1.0	-55.94	312.85	7.96	-47.98
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C(C)N2N=CN=C2N1C	REAL300009871363	0	40	-1.0	-55.48	333.66	8.79	-46.69
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871364	0	50	0.0	-77.51	411.90	11.52	-65.99
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871364	1	50	0.0	-77.55	411.31	11.51	-66.04
CN(CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871364	1	49	-1.0	-57.37	410.13	9.13	-48.24
CC1(C(=O)NC(CCC#N)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300009871365	0	50	0.0	-55.32	388.93	10.03	-45.29
CC1=CC(C)=C(Br)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871366	0	34	-1.0	-54.59	312.94	7.83	-46.76
N#CCCC(NC(=O)C1=CC(Cl)=CC(F)=C1Br)C(=O)[O-]	REAL300009871367	0	28	-1.0	-50.06	295.78	7.15	-42.91
N#CCCC(NC(=O)C1CC12CCC1=CC(Br)=CC=C12)C(=O)[O-]	REAL300009871368	0	39	-1.0	-51.47	354.67	9.74	-41.73
N#CCCC(NC(=O)C1=CN=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300009871369	0	29	-1.0	-48.54	287.77	4.39	-44.15
N#CCCC(NC(=O)C1=C(C(F)(F)F)SC=N1)C(=O)[O-]	REAL300009871370	0	27	-1.0	-56.24	278.12	4.18	-52.06
COC1=CC(C=CC(=O)NC(CCC#N)C(=O)[O-])=CC=C1F	REAL300009871371	0	36	-1.0	-54.29	326.48	6.57	-47.72
CC1=C(C)N2C(=NC=C(C(=O)NC(CCC#N)C(=O)[O-])C2=O)S1	REAL300009871372	0	36	-1.0	-61.29	328.20	6.61	-54.68
N#CCCC(NC(=O)C1COCCN1CC(F)F)C(=O)[O-]	REAL300009871373	0	37	-1.0	-49.82	310.86	2.30	-47.52
CC1=C(C)C=C2C(C(=O)NC(CCC#N)C(=O)[O-])=COC2=C1	REAL300009871374	0	37	-1.0	-58.59	324.77	7.53	-51.06
CC1=CC2=C(C=C1C)C(C(=O)NC(CCC#N)C(=O)[O-])CO2	REAL300009871375	0	39	-1.0	-58.70	333.89	6.84	-51.86
N#CCCC(NC(=O)C1=CN=CC(N2C=CN=N2)=C1)C(=O)[O-]	REAL300009871376	0	33	-1.0	-61.19	304.66	4.07	-57.12
N#CCCC(NC(=O)C1=CC(F)=CC2=C1NC1=CC=C(F)C=C1C2=O)C(=O)[O-]	REAL300009871377	0	40	-1.0	-48.35	362.40	8.47	-39.88
CC1=CSC(C(=O)NC(CCC#N)C(=O)[O-])=C1I	REAL300009871378	0	28	-1.0	-51.15	290.66	6.68	-44.47
CC1=CSC(C(=O)NC(CCC#N)C(=O)[O-])=C1Br	REAL300009871379	0	28	-1.0	-52.55	285.46	6.24	-46.31
CC(C)CC1=CC=C([C@H](C)C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871380	0	46	-1.0	-55.23	378.80	9.88	-45.35
CCNC1=CC=C(Cl)C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871381	0	36	-1.0	-50.99	324.98	6.50	-44.49
N#CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C(=O)[O-]	REAL300009871382	0	43	-1.0	-57.47	376.31	7.81	-49.66
CC(CC1=CC=CC=C1Cl)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871383	0	37	-1.0	-51.97	332.36	8.32	-43.65
CN(C(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300009871384	0	45	-1.0	-59.08	376.55	9.03	-50.05
N#CCCC(NC(=O)C1=CC=NC(OCC(F)(F)F)=C1)C(=O)[O-]	REAL300009871385	0	34	-1.0	-54.33	325.89	4.09	-50.24
N#CCCC(NC(=O)C1=CN=C(C2CCCO2)S1)C(=O)[O-]	REAL300009871386	0	35	-1.0	-53.30	322.53	4.18	-49.12
N#CCCC(NC(=O)C1(CC2=CC=CC=C2F)CC1)C(=O)[O-]	REAL300009871387	0	38	-1.0	-60.25	336.53	8.43	-51.82
COC1=CC=CC(CCC(=O)NC(CCC#N)C(=O)[O-])=C1F	REAL300009871388	0	38	-1.0	-59.93	337.64	6.85	-53.08
CC(C)(C(=O)NC(CCC#N)C(=O)[O-])S(=O)(=O)C1CC1	REAL300009871389	0	37	-1.0	-68.92	326.22	3.58	-65.34
N#CCCC(NC(=O)CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300009871390	0	33	-1.0	-59.73	324.73	7.61	-52.12
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871391	0	38	-1.0	-55.74	342.46	7.92	-47.82
CN1C=C(OC2=CC=CC=C2C(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300009871392	0	39	-1.0	-62.03	347.78	7.74	-54.29
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871393	0	38	-1.0	-59.50	343.90	7.98	-51.52
CN(C)C1=CC=CC(CCC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871394	0	42	-1.0	-53.42	354.79	7.91	-45.51
CC1=NC2=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C2N1CC1=CSC=C1	REAL300009871395	0	44	-1.0	-63.37	396.22	10.01	-53.36
N#CCCC(NC(=O)C1COCCN1C1CCCC1)C(=O)[O-]	REAL300009871396	0	44	-1.0	-51.87	344.01	3.82	-48.05
N#CCCC(NC(=O)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)C(=O)[O-]	REAL300009871397	0	36	-1.0	-55.94	342.36	5.59	-50.35
CCOC1=C(Cl)C=CC=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871398	0	38	-1.0	-54.20	349.17	7.59	-46.61
N#CCCC(NC(=O)CC1=CN=CN1CC1=CC=CC=C1)C(=O)[O-]	REAL300009871399	0	41	-1.0	-60.65	355.49	9.27	-51.38
N#CCCC(NC(=O)C1=CC2=CC(F)=CC=C2OC1)C(=O)[O-]	REAL300009871400	0	34	-1.0	-52.13	308.58	6.59	-45.54
CC(C)(C)C1=CN=C(CCC(=O)NC(CCC#N)C(=O)[O-])O1	REAL300009871401	0	42	-1.0	-53.34	361.58	4.91	-48.43
CCC1=NN(C)C(CC)=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871402	0	43	-1.0	-59.11	366.58	6.89	-52.22
N#CCCC(NC(=O)CC1=CC=C2CC(=O)NC2=C1)C(=O)[O-]	REAL300009871403	0	36	-1.0	-57.86	322.84	5.12	-52.74
CC1=CC(Br)=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871404	0	31	-1.0	-51.32	299.78	7.25	-44.07
N#CCCC(NC(=O)C1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300009871405	0	28	-1.0	-50.89	293.78	7.25	-43.64
N#CCCC(NC(=O)C1=C(C2=CC=C(F)C=C2)OC=N1)C(=O)[O-]	REAL300009871406	0	34	-1.0	-54.57	318.94	4.44	-50.13
CC(CCCC1=CC=CC=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871407	0	43	-1.0	-53.20	361.44	9.58	-43.62
CC(C)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300009871408	0	37	-1.0	-52.97	330.65	8.38	-44.59
CC(CC1=CC=CC(Cl)=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871409	0	37	-1.0	-51.25	335.21	8.42	-42.83
CS(=O)C1=CC=CC=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871410	0	36	-1.0	-63.41	323.32	5.87	-57.54
CC(=O)NC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300009871411	0	35	-1.0	-56.39	318.12	5.01	-51.38
CC(=O)NC1=CC=C(C)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871412	0	38	-1.0	-55.24	329.25	5.55	-49.69
CN1C(=O)NC2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C21	REAL300009871413	0	35	-1.0	-56.18	314.22	4.90	-51.28
CC(C)CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(=O)N1	REAL300009871414	0	40	-1.0	-57.59	342.90	5.48	-52.11
N#CCCC(NC(=O)C1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300009871415	0	39	-1.0	-54.76	320.81	4.26	-50.50
CCN(CC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=CC=C1Cl	REAL300009871416	0	42	-1.0	-56.08	361.96	7.14	-48.94
N#CCCC(NC(=O)C1COCCN1CC(F)(F)F)C(=O)[O-]	REAL300009871417	0	37	-1.0	-49.16	312.42	2.22	-46.94
CC(=O)NCC1CCN2N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C2C1	REAL300009871418	0	45	-1.0	-63.38	380.41	4.45	-58.93
N#CCCC(NC(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300009871419	0	33	-1.0	-69.81	313.87	7.18	-62.63
CC(=O)NC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300009871420	0	38	-1.0	-54.74	324.97	5.82	-48.92
N#CCCC(NC(=O)C12C3C(=O)C4C1C1CC4C3C12)C(=O)[O-]	REAL300009871421	0	37	-1.0	-59.10	311.55	7.09	-52.01
CCCCS(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871422	0	38	-1.0	-62.66	341.83	1.67	-60.99
CC1=CC=CC=C1C1(C(=O)NC(CCC#N)C(=O)[O-])CCC1	REAL300009871423	0	41	-1.0	-55.69	337.48	8.61	-47.08
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])SC(CC2CC2)=N1	REAL300009871424	0	37	-1.0	-51.45	336.29	6.77	-44.68
COC1=C(C(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C2N=C1	REAL300009871425	0	37	-1.0	-57.19	327.42	5.39	-51.80
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871426	0	41	-1.0	-58.58	352.87	9.47	-49.11
COC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(Br)=C1OC	REAL300009871427	0	36	-1.0	-50.18	339.19	6.00	-44.18
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300009871428	0	38	-1.0	-66.02	353.18	3.85	-62.17
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871429	0	44	-1.0	-57.49	373.82	7.99	-49.50
CC(=O)C1=CC=C(OC2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C2)C=C1	REAL300009871430	0	44	-1.0	-54.51	386.82	9.26	-45.25
N#CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300009871431	0	50	-1.0	-53.72	408.96	6.90	-46.82
COC1=CC=C(CCCC(=O)NC(CCC#N)C(=O)[O-])C(OC)=C1	REAL300009871432	0	45	-1.0	-56.60	382.17	6.95	-49.65
CC1=CC=CC(I)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871433	0	31	-1.0	-51.32	305.76	7.32	-44.00
CC(C)NC(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871434	0	41	-1.0	-55.07	354.77	5.97	-49.10
N#CCCC(NC(=O)C1=CC=CC=C1NC1CCCCC1)C(=O)[O-]	REAL300009871435	0	46	-1.0	-53.79	368.96	8.64	-45.15
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)C=C1Br	REAL300009871436	0	34	-1.0	-50.62	312.57	7.84	-42.78
N#CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C(=O)[O-]	REAL300009871437	0	40	-1.0	-56.28	353.05	9.94	-46.34
N#CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300009871438	0	49	-1.0	-55.81	405.80	6.38	-49.43
CC1=CSC2=NC=C(C(=O)NC(CCC#N)C(=O)[O-])C(=O)N12	REAL300009871439	0	33	-1.0	-60.31	306.85	5.92	-54.39
CN(C)C1=NC2=CC=CC=C2C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871440	0	41	-1.0	-54.44	348.62	8.03	-46.41
CC1=CC=C(C2=NNC(C(=O)NC(CCC#N)C(=O)[O-])=C2)C=C1C	REAL300009871441	0	41	-1.0	-114.59	371.72	5.82	-108.77
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871442	0	43	-1.0	-50.07	377.72	9.55	-40.52
N#CCCC(NC(=O)C1=CNN=C1C1=CC=C(Cl)S1)C(=O)[O-]	REAL300009871443	0	32	-1.0	-56.56	321.35	5.75	-50.81
N#CCCC(NC(=O)C1=C(C2=CC=C(Cl)S2)NN=C1)C(=O)[O-]	REAL300009871443	1	32	-1.0	-52.45	321.72	5.65	-46.80
CN1C=C(C(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=C(Cl)S2)=N1	REAL300009871444	0	35	-1.0	-57.20	343.93	7.13	-50.07
N#CCCC(NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300009871445	0	39	-1.0	-57.23	345.10	5.99	-51.24
CC(C)(C)C(NS(C)(=O)=O)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871446	0	41	-1.0	-56.67	344.63	2.33	-54.34
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871447	0	37	-1.0	-63.86	336.45	7.08	-56.78
N#CCCC(NC(=O)C1=CC=C(Cl)C(N)=C1Cl)C(=O)[O-]	REAL300009871448	0	30	-1.0	-52.41	296.65	5.01	-47.40
N#CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C(=O)[O-]	REAL300009871449	0	37	-1.0	-57.72	340.42	8.43	-49.29
N#CCCC(NC(=O)C1=CNN=C1C1=CSC=C1)C(=O)[O-]	REAL300009871450	0	32	-1.0	-56.98	303.60	5.01	-51.97
COC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1N1C=NN=N1	REAL300009871451	0	37	-1.0	-56.55	331.58	5.74	-50.81
CNS(=O)(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300009871452	0	35	-1.0	-54.94	329.68	0.22	-54.72
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300009871453	0	38	-1.0	-54.67	348.57	2.04	-52.63
N#CCCC(NC(=O)C1CC12CCS(=O)(=O)CC2)C(=O)[O-]	REAL300009871454	0	38	-1.0	-64.64	333.61	3.44	-61.20
N#CCCC(NC(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C(=O)[O-]	REAL300009871455	0	36	-1.0	-59.36	325.68	7.49	-51.87
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])N=NN1CCOC1=CC=C(F)C=C1	REAL300009871456	0	44	-1.0	-53.56	391.08	6.35	-47.21
CC(=O)NC(C)(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(S(C)(=O)=O)C=C1	REAL300009871457	0	47	-1.0	-67.57	407.70	3.26	-64.31
CC1=CC(N2CC(C(=O)NC(CCC#N)C(=O)[O-])CC2=O)=CC=C1F	REAL300009871458	0	42	-1.0	-64.64	361.87	7.72	-56.92
CC(C)(C(=O)NC(CCC#N)C(=O)[O-])C1=CSC(C2=CC=CS2)=N1	REAL300009871459	0	40	-1.0	-61.65	370.82	8.16	-53.49
CC1=C(Br)C=C(C(=O)NC(CCC#N)C(=O)[O-])C(=O)N1	REAL300009871460	0	31	-1.0	-60.27	297.79	4.32	-55.95
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NC(C(F)(F)F)=N1	REAL300009871461	0	32	-1.0	-49.42	311.80	5.02	-44.40
N#CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1)C(=O)[O-]	REAL300009871462	0	44	-1.0	-53.47	382.69	10.32	-43.15
N#CCCC(NC(=O)C1=COC(C2CCOCC2)=N1)C(=O)[O-]	REAL300009871463	0	38	-1.0	-52.15	332.97	2.16	-49.99
CCC1=NC(C2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C2)=NN1	REAL300009871464	0	40	-1.0	-57.19	355.56	7.35	-49.84
CC(C)(CC(=O)NC(CCC#N)C(=O)[O-])CC(=O)C1=CC=CC=C1	REAL300009871465	0	45	-1.0	-60.83	367.22	9.11	-51.72
CCOC1=CC=C(C(C)(C)C(=O)NC(CCC#N)C(=O)[O-])C=C1OCC	REAL300009871466	0	51	-1.0	-56.87	414.50	8.70	-48.17
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871467	0	40	-1.0	-56.13	363.00	6.65	-49.48
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])N=NN1CC1=CC=C(F)C=C1F	REAL300009871468	0	40	-1.0	-53.76	358.86	6.57	-47.19
CCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CC=C2)=NO1	REAL300009871469	0	40	-1.0	-49.89	358.45	8.40	-41.49
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871470	0	45	-1.0	-56.96	387.08	9.98	-46.98
CCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC=CC=C1OC	REAL300009871471	0	45	-1.0	-59.04	384.44	7.72	-51.32
CCN1C=C(C(=O)NC(CCC#N)C(=O)[O-])C(C(F)(F)F)=N1	REAL300009871472	0	34	-1.0	-59.71	317.75	5.64	-54.07
CC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C(SC2=CC=CC=C2)=C1	REAL300009871473	0	42	-1.0	-57.98	374.59	10.74	-47.24
CC1=CC=C(SC2CCCC2)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871474	0	45	-1.0	-56.63	375.09	10.37	-46.26
CC1=C2OC(C(=O)NC(CCC#N)C(=O)[O-])=CC2=CC(Br)=C1	REAL300009871475	0	34	-1.0	-49.77	330.99	7.64	-42.13
COCCCS(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871476	0	39	-1.0	-65.01	354.82	-0.09	-65.10
CCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC=CC=C1Cl	REAL300009871477	0	41	-1.0	-57.41	370.12	8.93	-48.48
COC1=CC=CC=C1N1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300009871478	0	42	-1.0	-58.63	363.49	7.09	-51.54
CCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300009871479	0	45	-1.0	-51.40	374.11	7.09	-44.31
N#CCCC(NC(=O)C1=C(C2=CC=CC=C2)SC=N1)C(=O)[O-]	REAL300009871480	0	34	-1.0	-54.88	320.28	6.84	-48.04
CN(C)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NC2=CC=CC=C21	REAL300009871481	0	41	-1.0	-54.63	354.64	6.27	-48.36
N#CCCC(NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300009871482	0	42	-1.0	-58.16	369.10	7.99	-50.17
CC1=C(Br)C=CC=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871483	0	34	-1.0	-52.61	316.32	7.70	-44.91
CC1=CC=C(CC(=O)NC(CCC#N)C(=O)[O-])C=C1Br	REAL300009871484	0	34	-1.0	-55.44	321.20	7.83	-47.61
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300009871485	0	41	-1.0	-54.15	375.90	8.03	-46.12
COC1=CC2=C(C(=O)NC(CCC#N)C(=O)[O-])C=C(C3CC3)N=C2C=C1	REAL300009871486	0	44	-1.0	-56.98	371.54	7.74	-49.24
N#CCCC(NC(=O)C1=CC2=C(N=C(N3CCCC3)S2)S1)C(=O)[O-]	REAL300009871487	0	39	-1.0	-52.28	361.30	6.34	-45.94
CN1C=C(C(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300009871488	0	38	-1.0	-58.77	334.96	7.33	-51.44
N#CCCC(NC(=O)C1=CC=C(C2=CC=C(Br)S2)S1)C(=O)[O-]	REAL300009871489	0	32	-1.0	-51.10	342.07	8.59	-42.51
N#CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300009871490	0	39	-1.0	-54.97	362.51	9.34	-45.63
N#CCCC(NC(=O)C1=C(F)C=CC=C1SC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300009871491	0	39	-1.0	-54.46	382.50	10.45	-44.01
COC1=CC=CC(C2=NC(C)=C(C(=O)NC(CCC#N)C(=O)[O-])N2)=C1	REAL300009871492	0	42	-1.0	-55.25	366.36	6.31	-48.94
N#CCCC(NC(=O)C1=NC=C(Br)C=C1Br)C(=O)[O-]	REAL300009871493	0	27	-1.0	-49.70	291.91	5.47	-44.23
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CC=N2)=NO1	REAL300009871494	0	36	-1.0	-58.63	333.68	6.09	-52.54
N#CCCC(NC(=O)C1=NC=CC=C1OC1=CC=CC=C1)C(=O)[O-]	REAL300009871495	0	38	-1.0	-58.71	339.65	8.25	-50.46
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871496	0	36	-2.0	-101.51	323.24	2.94	-98.57
CC1=CC(Br)=C2OC(C(=O)NC(CCC#N)C(=O)[O-])=CC2=C1	REAL300009871497	0	34	-1.0	-51.62	330.77	7.71	-43.91
COC1=CC=C(F)C(C(=O)NC(CCC#N)C(=O)[O-])=C1OC	REAL300009871498	0	36	-1.0	-57.56	325.96	5.38	-52.18
N#CCCC(NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300009871499	0	32	-1.0	-49.88	323.28	5.70	-44.18
N#CCCC(NC(=O)CCCC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300009871500	0	40	-1.0	-54.78	363.66	9.26	-45.52
N#CCCC(NC(=O)CCCC1=CC(F)=CC=C1F)C(=O)[O-]	REAL300009871501	0	37	-1.0	-54.78	336.47	8.33	-46.45
N#CCCC(NC(=O)COC1=CC=CC(I)=C1)C(=O)[O-]	REAL300009871502	0	32	-1.0	-56.21	317.57	7.68	-48.53
N#CCCC(NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300009871503	0	46	-1.0	-55.97	388.37	10.67	-45.30
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)NC(CCC#N)C(=O)[O-])S2	REAL300009871504	0	44	-1.0	-54.17	397.07	10.06	-44.11
N#CCCC(NC(=O)C1(C2=CC=C(C(F)(F)F)C=C2)CC1)C(=O)[O-]	REAL300009871505	0	38	-1.0	-57.09	346.80	8.67	-48.42
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300009871506	0	40	-1.0	-46.85	375.42	8.69	-38.16
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300009871507	0	37	-1.0	-49.77	366.87	6.28	-43.49
COC1=CC=CC(C2C(C(=O)NC(CCC#N)C(=O)[O-])CC(=O)N2C2CC2)=C1	REAL300009871508	0	50	-1.0	-56.12	416.58	8.41	-47.71
COC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C(OCCC(C)C)=C1	REAL300009871509	0	48	-1.0	-58.34	395.37	8.90	-49.44
CCCOC1=CC=CC(CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871510	0	41	-1.0	-54.88	354.57	7.67	-47.21
CCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC=C(OC)C=C1	REAL300009871511	0	45	-1.0	-55.25	384.14	7.54	-47.71
CC1=CC=C(CC2=NC(C(=O)NC(CCC#N)C(=O)[O-])=CS2)C=C1	REAL300009871512	0	40	-1.0	-54.18	368.26	8.18	-46.00
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871513	0	40	-1.0	-64.02	356.35	6.32	-57.70
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871514	0	41	-1.0	-64.47	367.44	0.22	-64.25
CCCN1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C1CC1	REAL300009871515	0	41	-1.0	-53.77	348.52	7.30	-46.47
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1CCCCC1	REAL300009871516	0	44	-1.0	-53.98	361.69	7.67	-46.31
CCC(C)N1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C1CC1	REAL300009871517	0	44	-1.0	-54.90	367.56	7.77	-47.13
CCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C(CC)CC	REAL300009871518	0	46	-1.0	-54.32	376.05	7.86	-46.46
CCOC1=CC(Cl)=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871519	0	35	-1.0	-55.40	322.15	8.00	-47.40
C=CCOC1=CC(OC)=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871520	0	40	-1.0	-58.56	347.71	7.38	-51.18
N#CCCC(NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C(=O)[O-]	REAL300009871521	0	38	-1.0	-55.17	352.40	7.40	-47.77
CNC(=O)COC1=CC=CC(CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871522	0	42	-1.0	-63.13	371.49	5.56	-57.57
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1CCC(C)C	REAL300009871523	0	43	-1.0	-53.84	360.03	7.12	-46.72
CC(C)CC1=CC=CC(C(C)C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871524	0	46	-1.0	-54.61	378.00	9.92	-44.69
CC(C)CC1=CC=C(CCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871525	0	46	-1.0	-52.37	384.07	10.20	-42.17
COC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C(OCC2CC2)=C1	REAL300009871526	0	43	-1.0	-59.16	366.47	8.38	-50.78
COC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C(OC(F)F)=C1	REAL300009871527	0	36	-1.0	-57.64	322.69	6.16	-51.48
COC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C(OCC(C)C)=C1	REAL300009871528	0	45	-1.0	-58.72	376.40	8.26	-50.46
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300009871529	0	38	-1.0	-55.75	345.15	7.63	-48.12
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=CC=C(Cl)C=C1Cl	REAL300009871530	0	38	-1.0	-55.98	370.61	8.76	-47.22
CC(C)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=CC=CC=C1	REAL300009871531	0	44	-1.0	-56.85	374.73	8.64	-48.21
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300009871532	0	38	-1.0	-55.80	368.84	8.57	-47.23
COC1=CC=C(N2N=C(C(=O)NC(CCC#N)C(=O)[O-])C=C2C)C=C1	REAL300009871533	0	42	-1.0	-56.91	368.23	6.86	-50.05
N#CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C(=O)[O-]	REAL300009871534	0	37	-1.0	-53.02	343.27	6.71	-46.31
N#CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C(=O)[O-]	REAL300009871535	0	39	-1.0	-63.40	346.89	7.62	-55.78
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871536	0	40	-1.0	-56.66	360.18	3.34	-53.32
N#CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C(=O)[O-]	REAL300009871537	0	50	-1.0	-60.18	412.45	10.43	-49.75
N#CCCC(NC(=O)C1=CC2=CC=CC=C2C=C1OC(F)F)C(=O)[O-]	REAL300009871538	0	38	-1.0	-57.57	340.07	9.07	-48.50
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871539	0	39	-1.0	-50.65	348.35	8.45	-42.20
COC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300009871540	0	37	-1.0	-49.77	328.35	6.58	-43.19
CCCOC1=CC(OC)=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871541	0	42	-1.0	-58.71	357.12	7.54	-51.17
CCN1C=C(C2=NNC=C2C(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300009871542	0	38	-1.0	-61.95	338.48	4.64	-57.31
CCN1C=C(C2=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN2)C=N1	REAL300009871542	1	38	-1.0	-58.85	339.20	4.52	-54.33
CCN1C=C(C2=NN(C)C=C2C(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300009871543	0	41	-1.0	-62.86	361.30	5.96	-56.90
CC(C)COC1=NC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300009871544	0	40	-1.0	-49.97	362.87	5.73	-44.24
CC(C)C(C(=O)NC(CCC#N)C(=O)[O-])N1CCCS1(=O)=O	REAL300009871545	0	42	-1.0	-53.76	352.82	3.81	-49.95
N#CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300009871546	0	38	-1.0	-55.95	353.82	6.75	-49.20
N#CCCC(NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C(=O)[O-]	REAL300009871547	0	42	-1.0	-55.18	362.38	7.45	-47.73
COC1=CC=C(CC(C)C(=O)NC(CCC#N)C(=O)[O-])C=C1OC	REAL300009871548	0	45	-1.0	-54.21	376.43	7.17	-47.04
CCNS(=O)(=O)C1=CC=C(CC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871549	0	42	-1.0	-61.06	379.34	3.67	-57.39
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=CC=CC(Cl)=C1	REAL300009871550	0	38	-1.0	-58.21	355.23	8.16	-50.05
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=CC(C)=CC(C)=C1	REAL300009871551	0	44	-1.0	-56.78	379.76	8.95	-47.83
CCCCS(=O)(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871552	0	43	-1.0	-57.30	382.15	6.00	-51.30
N#CCCC(NC(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300009871553	0	34	-1.0	-59.26	339.73	8.18	-51.08
N#CCCC(NC(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C(=O)[O-]	REAL300009871554	0	41	-1.0	-63.29	368.63	3.22	-60.07
CN1C=C(C(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300009871555	0	35	-1.0	-58.74	327.12	6.46	-52.28
CN1C(=O)CCC2=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300009871556	0	39	-1.0	-55.48	332.79	6.87	-48.61
N#CCCC(NC(=O)C1=CC(Cl)=CC=C1SC1=CC=CC=C1)C(=O)[O-]	REAL300009871557	0	39	-1.0	-53.90	369.90	10.60	-43.30
N#CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300009871558	0	37	-1.0	-52.92	353.04	7.65	-45.27
CC(C)NC(=O)N1CCC[C@H]1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871559	0	43	-1.0	-72.74	360.05	4.88	-67.86
CCS(=O)(=O)C1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871560	0	37	-1.0	-60.36	338.41	4.43	-55.93
CC1=CC=CC=C1N1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C(C)C	REAL300009871561	0	47	-1.0	-53.96	384.49	9.64	-44.32
CCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC=CC=C1C	REAL300009871562	0	44	-1.0	-54.92	372.91	9.19	-45.73
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=CC=CC=C1Cl	REAL300009871563	0	38	-1.0	-58.21	353.02	8.30	-49.91
CC(SC1=CC=CC=C1C(=O)NC(CCC#N)C(=O)[O-])C(N)=O	REAL300009871564	0	39	-1.0	-67.89	346.70	4.38	-63.51
N#CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300009871565	0	28	-1.0	-50.38	279.63	6.28	-44.10
N#CCCC(NC(=O)C1C2=CC=CC=C2OC2=CC=CC=C21)C(=O)[O-]	REAL300009871566	0	40	-1.0	-59.83	346.42	9.20	-50.63
CCN(CC)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871567	0	42	-1.0	-55.11	351.14	8.33	-46.78
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871568	0	38	-1.0	-54.64	333.71	7.92	-46.72
N#CCCC(NC(=O)CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300009871569	0	46	-1.0	-52.21	403.85	7.37	-44.84
COC1=CC=C(C(=O)NCC(=O)NC(CCC#N)C(=O)[O-])C=C1OC	REAL300009871570	0	43	-1.0	-54.03	374.44	3.74	-50.29
CC(C)(C)C1=CC=C(C(=O)NCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871571	0	47	-1.0	-51.69	391.33	6.83	-44.86
N#CCCC(NC(=O)CNC(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300009871572	0	35	-1.0	-50.71	337.34	5.09	-45.62
N#CCCC(NC(=O)CNC(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300009871573	0	35	-1.0	-51.87	332.78	4.98	-46.89
CC1=CC(C(=O)NCC(=O)NC(CCC#N)C(=O)[O-])=CC(C)=C1	REAL300009871574	0	41	-1.0	-52.84	358.85	5.79	-47.05
N#CCCC(NC(=O)CNC(=O)C1=CC=CC(F)=C1)C(=O)[O-]	REAL300009871575	0	35	-1.0	-52.24	322.46	4.54	-47.70
COC1=CC=CC(C(=O)NCC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871576	0	39	-1.0	-54.02	345.28	3.83	-50.19
CCOC1=CC=C(C(=O)NCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871577	0	42	-1.0	-52.44	367.29	4.70	-47.74
CC1=CC(C(=O)NCC(=O)NC(CCC#N)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300009871578	0	40	-1.0	-51.85	360.20	5.64	-46.21
N#CCCC(NC(=O)CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300009871579	0	38	-1.0	-54.00	367.56	6.43	-47.57
N#CCCC(NC(=O)CCNS(=O)(=O)C=CC1=CC=CC=C1)C(=O)[O-]	REAL300009871580	0	43	-1.0	-58.56	389.76	4.18	-54.38
CC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871581	0	44	-1.0	-61.54	399.13	3.39	-58.15
CC(C)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(O)C(C(C)C)=C1	REAL300009871582	0	47	-1.0	-54.17	384.62	8.38	-45.79
CCOC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(Cl)=C1O	REAL300009871583	0	36	-1.0	-51.69	335.12	4.59	-47.10
CCOC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300009871583	1	35	-2.0	-99.67	331.53	5.53	-94.14
N#CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300009871584	0	39	-1.0	-55.29	352.89	5.36	-49.93
N#CCCC(NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)[O-]	REAL300009871585	0	40	-1.0	-73.21	367.66	3.02	-70.19
CC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871588	0	44	-1.0	-62.18	398.27	3.44	-58.74
CC(C)(C)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(C(C)(C)C)=C1O	REAL300009871589	0	53	-1.0	-54.69	407.18	8.78	-45.91
N#CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300009871590	0	33	-1.0	-56.94	310.42	0.96	-55.98
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871591	0	46	-1.0	-57.03	411.34	2.52	-54.51
N#CCCC(NC(=O)CNC(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300009871592	0	35	-1.0	-52.11	326.76	4.67	-47.44
N#CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300009871593	0	35	-1.0	-55.55	335.19	7.63	-47.92
N#CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300009871594	0	35	-1.0	-52.99	328.21	7.17	-45.82
N#CCCC(NC(=O)C1COC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300009871595	0	33	-1.0	-55.49	316.79	6.27	-49.22
N#CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=N1)C(=O)[O-]	REAL300009871596	0	34	-1.0	-52.42	331.10	6.18	-46.24
N#CCCC(NC(=O)CCC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300009871597	0	34	-1.0	-52.65	326.72	7.99	-44.66
CC(C)(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300009871598	0	41	-1.0	-55.36	358.48	7.42	-47.94
N#CCCC(NC(=O)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1)C(=O)[O-]	REAL300009871599	0	38	-1.0	-55.29	352.69	8.75	-46.54
N#CCCC(NC(=O)C1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1)C(=O)[O-]	REAL300009871600	0	38	-1.0	-52.08	362.02	9.21	-42.87
N#CCCC(NC(=O)C1(C2=CC=C(F)C=C2F)CCCC1)C(=O)[O-]	REAL300009871601	0	41	-1.0	-49.42	340.19	9.15	-40.27
CC(C)(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(Cl)C=C1F	REAL300009871602	0	37	-1.0	-52.70	330.51	8.14	-44.56
CCS(=O)(=O)C1=CC=C(CCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871603	0	43	-1.0	-59.34	385.26	5.89	-53.45
CC1=CC=CC(OC2=CC=CC=C2C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871604	0	42	-1.0	-61.96	366.73	10.70	-51.26
CCC(C)(C)C1CCC(CC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300009871605	0	52	-1.0	-52.89	384.56	9.41	-43.48
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871606	0	41	-1.0	-58.38	357.42	8.76	-49.62
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871607	0	37	-1.0	-53.22	341.58	8.55	-44.67
CC1=CC(F)=CC=C1N1C=C(C(=O)NC(CCC#N)C(=O)[O-])N=N1	REAL300009871608	0	37	-1.0	-51.63	335.57	6.50	-45.13
CC(CC(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(F)C=C1F	REAL300009871609	0	37	-1.0	-52.21	327.98	7.98	-44.23
CC1=NN(C2=CC=C(Br)C=C2)C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871610	0	38	-1.0	-54.04	357.45	8.36	-45.68
CC(C)CN1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C1CC1	REAL300009871611	0	44	-1.0	-54.50	362.36	7.56	-46.94
CCC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1CC(C)C	REAL300009871612	0	43	-1.0	-53.59	355.67	7.23	-46.36
N#CCCC(NC(=O)C1=CNN=C1C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300009871613	0	38	-1.0	-66.68	344.57	7.65	-59.03
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871614	0	38	-1.0	-59.52	339.97	6.14	-53.38
N#CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C(=O)[O-]	REAL300009871615	0	34	-1.0	-56.96	334.11	6.30	-50.66
CC1=CC(F)=CC=C1N1C=CC(C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300009871616	0	38	-1.0	-54.84	346.19	8.14	-46.70
N#CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C(=O)[O-]	REAL300009871617	0	38	-1.0	-56.98	354.74	6.24	-50.74
N#CCCC(NC(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C(=O)[O-]	REAL300009871618	0	44	-1.0	-58.15	385.74	8.24	-49.91
CC(OC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300009871619	0	45	-1.0	-54.35	384.28	9.94	-44.41
N#CCCC(NC(=O)C1=CC(S(=O)(=O)C2CCCC2)=CC=C1F)C(=O)[O-]	REAL300009871620	0	44	-1.0	-62.05	384.52	6.45	-55.60
CCC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1S(C)(=O)=O	REAL300009871621	0	40	-1.0	-63.09	347.36	4.93	-58.16
N#CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C(=O)[O-]	REAL300009871622	0	35	-1.0	-57.02	351.65	8.40	-48.62
N#CCCC(NC(=O)CCN1CCN(C(=O)C2CCCO2)CC1)C(=O)[O-]	REAL300009871623	0	51	-1.0	-62.40	407.39	4.68	-57.72
N#CCCC(NC(=O)CC[NH+]1CCN(C(=O)C2CCCO2)CC1)C(=O)[O-]	REAL300009871623	1	52	0.0	-83.82	408.54	6.81	-77.01
CCC1=NC2=CC=CC=C2N1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871624	0	40	-1.0	-60.34	347.12	8.09	-52.25
N#CCCC(NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C(=O)[O-]	REAL300009871625	0	37	-1.0	-59.19	350.37	7.48	-51.71
N#CCCC(NC(=O)C1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300009871626	0	34	-1.0	-58.34	322.37	6.74	-51.60
CC(=O)NC1=CC=CC(CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871627	0	38	-1.0	-62.20	337.85	5.59	-56.61
CC1=C(Br)C=C(C(=O)NC(CCC#N)C(=O)[O-])S1	REAL300009871628	0	28	-1.0	-51.46	290.11	6.39	-45.07
N#CCCC(NC(=O)C1(C2=CC=C(Cl)C=C2Cl)CCCCC1)C(=O)[O-]	REAL300009871629	0	44	-1.0	-47.97	366.31	10.39	-37.58
COC(=O)N1CC2CCC1C(C(=O)NC(CCC#N)C(=O)[O-])C2	REAL300009871630	0	43	-1.0	-65.94	350.20	6.63	-59.31
COC(=O)N1CC2C=CC1C(C(=O)NC(CCC#N)C(=O)[O-])C2	REAL300009871631	0	41	-1.0	-62.87	342.02	6.75	-56.12
N#CCCC(NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300009871632	0	41	-1.0	-50.21	328.28	7.80	-42.41
N#CCCC(NC(=O)C1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)C(=O)[O-]	REAL300009871633	0	48	-1.0	-55.55	397.10	9.90	-45.65
CS(=O)(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])S1	REAL300009871634	0	31	-1.0	-59.13	311.59	2.63	-56.50
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871635	0	36	-1.0	-52.15	319.35	7.99	-44.16
CN1N=C(CC(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C21	REAL300009871636	0	37	-1.0	-61.99	330.82	6.55	-55.44
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1N1C=CC=N1	REAL300009871637	0	38	-1.0	-56.70	330.94	8.12	-48.58
N#CCCC(NC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300009871638	0	41	-1.0	-56.49	363.13	7.51	-48.98
N#CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)C(=O)[O-]	REAL300009871639	0	42	-1.0	-60.48	370.35	8.96	-51.52
N#CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)C(=O)[O-]	REAL300009871640	0	45	-1.0	-55.95	385.21	9.53	-46.42
CC1=CC=C(F)C(N2N=C(C(=O)NC(CCC#N)C(=O)[O-])C3=C2CCC3)=C1	REAL300009871641	0	45	-1.0	-64.04	394.01	9.86	-54.18
N#CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)C(=O)[O-]	REAL300009871642	0	42	-1.0	-67.59	379.11	9.18	-58.41
CC1=CC=CC(F)=C1N1N=C(C(=O)NC(CCC#N)C(=O)[O-])C2=C1CCC2	REAL300009871643	0	45	-1.0	-60.26	387.82	9.90	-50.36
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=C(Br)O1	REAL300009871644	0	28	-1.0	-49.67	282.04	5.51	-44.16
N#CCCC(NC(=O)C1(C2=C(F)C=CC=C2F)CCC1)C(=O)[O-]	REAL300009871645	0	38	-1.0	-53.86	328.69	8.49	-45.37
CCC(CC1=CC=CC=C1C)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871646	0	43	-1.0	-55.05	348.61	9.08	-45.97
N#CCCC(NC(=O)CC1=CC=C(N2C=NN=C2)C=C1)C(=O)[O-]	REAL300009871647	0	37	-1.0	-58.59	331.80	9.66	-48.93
N#CCCC(NC(=O)CCC1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300009871648	0	38	-1.0	-54.24	341.53	7.07	-47.17
N#CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2F)C2=C1CCC2)C(=O)[O-]	REAL300009871649	0	42	-1.0	-65.73	388.76	9.69	-56.04
N#CCCC(NC(=O)C1=COC(C2=C(F)C=CC=C2F)=N1)C(=O)[O-]	REAL300009871650	0	34	-1.0	-57.27	326.27	4.83	-52.44
CC1=CC(F)=CC(N2N=C(C(=O)NC(CCC#N)C(=O)[O-])C3=C2CCC3)=C1	REAL300009871651	0	45	-1.0	-57.03	391.71	9.62	-47.41
CC1=C([N+](=O)[O-])C=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300009871652	0	35	-1.0	-48.63	323.21	7.71	-40.92
CC(C)CC(C(=O)NC(CCC#N)C(=O)[O-])N1C(=O)C2=CC=CC=C2C1=O	REAL300009871654	0	47	-1.0	-63.82	398.98	8.91	-54.91
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300009871655	0	39	-1.0	-59.93	360.77	3.92	-56.01
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300009871657	0	36	-1.0	-57.15	351.69	2.92	-54.23
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300009871658	0	36	-1.0	-58.97	334.98	2.40	-56.57
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871659	0	43	-1.0	-65.56	391.32	1.28	-64.28
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871660	0	42	-1.0	-55.16	371.99	3.93	-51.23
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300009871661	0	48	-1.0	-54.65	396.14	5.00	-49.65
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300009871662	0	36	-1.0	-55.74	367.49	3.40	-52.34
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1F)C(=O)[O-]	REAL300009871663	0	36	-1.0	-55.57	333.89	2.17	-53.40
N#CCCC(NC(=O)CNS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300009871664	0	36	-1.0	-59.51	357.94	3.61	-55.90
N#CCCC(NC(=O)C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300009871664	1	35	-2.0	-112.92	357.38	3.32	-109.60
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871665	0	46	-1.0	-62.12	414.19	1.88	-60.24
N#CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CS1)C(=O)[O-]	REAL300009871666	0	36	-1.0	-57.66	349.78	1.99	-55.67
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300009871667	0	42	-1.0	-57.51	381.76	4.63	-52.88
N#CCCC(NC(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300009871668	0	35	-2.0	-119.48	342.28	2.29	-117.19
N#CCCC(NC(=O)CNS(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300009871668	1	36	-1.0	-62.28	343.50	2.67	-59.61
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC(F)=C1)C(=O)[O-]	REAL300009871669	0	36	-1.0	-57.60	342.23	2.41	-55.19
N#CCCC(NC(=O)C1=CC=C2C(=C1)SC1=NS(=O)(=O)CCN21)C(=O)[O-]	REAL300009871670	0	39	-1.0	-65.20	363.02	4.68	-60.52
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300009871671	0	37	-1.0	-59.88	355.78	2.79	-57.09
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871672	0	41	-1.0	-62.10	376.21	2.81	-59.29
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871673	0	45	-1.0	-59.58	411.61	3.98	-55.60
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871674	0	41	-1.0	-64.33	376.09	2.80	-61.53
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300009871675	0	45	-1.0	-58.40	398.64	2.30	-56.10
N#CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300009871676	0	36	-1.0	-57.83	342.20	2.43	-55.40
N#CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300009871677	0	39	-1.0	-58.23	359.57	3.04	-55.19
N#CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCC2CCCO2)=C1)C(=O)[O-]	REAL300009871678	0	47	-1.0	-63.65	411.31	3.32	-60.33
N#CCCC(NC(=O)C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1)C(=O)[O-]	REAL300009871679	0	45	-1.0	-60.14	381.44	9.09	-51.05
COC1=CC=C(S(=O)(=O)NCC(=O)NC(CCC#N)C(=O)[O-])C=C1OC	REAL300009871680	0	44	-1.0	-59.19	394.54	1.57	-57.62
N#CCCC(NC(=O)CNS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300009871681	0	39	-1.0	-66.62	364.00	1.56	-65.06
CS(=O)(=O)NC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1Cl	REAL300009871682	0	36	-1.0	-61.90	345.07	3.27	-58.63
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871683	0	43	-1.0	-64.61	386.58	-0.29	-64.90
N#CCCC(NC(=O)C1=CC2=CC=CC(Cl)=C2S1)C(=O)[O-]	REAL300009871684	0	31	-1.0	-52.87	312.54	7.89	-44.98
CSC1=CC=C(CCCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871685	0	41	-1.0	-55.78	364.00	9.30	-46.48
N#CCCC(NC(=O)C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2)C(=O)[O-]	REAL300009871686	0	42	-1.0	-55.95	376.47	9.09	-46.86
N#CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2F)C2=C1CCC2)C(=O)[O-]	REAL300009871687	0	42	-1.0	-61.73	382.20	9.60	-52.13
N#CCCC(NC(=O)C1=NN(C2=CC(Cl)=CC=C2F)C2=C1CCC2)C(=O)[O-]	REAL300009871688	0	42	-1.0	-60.48	382.44	9.53	-50.95
N#CCCC(NC(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300009871689	0	30	-1.0	-50.64	311.18	6.22	-44.42
CC1=CC=C(C2(C(=O)NC(CCC#N)C(=O)[O-])CCC2)C=C1	REAL300009871690	0	41	-1.0	-52.42	346.01	8.94	-43.48
N#CCCC(NC(=O)C1(C2=CC=CC=C2F)CCC1)C(=O)[O-]	REAL300009871691	0	38	-1.0	-55.74	329.14	8.31	-47.43
CC1=NC2=C(C(=O)NC(CCC#N)C(=O)[O-])C=C(Cl)C=C2C=C1	REAL300009871692	0	36	-1.0	-61.22	333.62	7.93	-53.29
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])N=NN1C1=CC=C(F)C(F)=C1	REAL300009871693	0	37	-1.0	-53.69	342.01	6.23	-47.46
N#CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(F)=C2)C2=C1CCC2)C(=O)[O-]	REAL300009871694	0	42	-1.0	-55.93	386.48	9.45	-46.48
N#CCCC(NC(=O)C1CCC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300009871695	0	35	-1.0	-52.33	320.17	8.63	-43.70
N#CCCC(NC(=O)CC1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300009871696	0	39	-1.0	-56.22	335.17	7.34	-48.88
N#CCCC(NC(=O)CN1N=NN=C1C1=CSC=C1)C(=O)[O-]	REAL300009871697	0	33	-1.0	-61.74	315.55	4.62	-57.12
N#CCCC(NC(=O)CN1C=CC2=CC=C(F)C=C21)C(=O)[O-]	REAL300009871698	0	35	-1.0	-61.08	321.28	8.19	-52.89
CCCC1=CC=C(CCCC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871699	0	46	-1.0	-54.90	389.01	10.45	-44.45
N#CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300009871700	0	37	-1.0	-53.68	328.84	7.82	-45.86
N#CCCC(NC(=O)CC1=CC=CC(CC(F)(F)F)=C1)C(=O)[O-]	REAL300009871701	0	37	-1.0	-53.94	342.45	8.48	-45.46
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1N1CCOCC1	REAL300009871702	0	44	-1.0	-53.02	364.59	6.21	-46.81
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])NC(=O)C2=CC=CC=C12	REAL300009871703	0	37	-1.0	-53.22	320.24	5.85	-47.37
CC(CC(=O)NC(CCC#N)C(=O)[O-])N1CCC2=CC=CC=C21	REAL300009871704	0	43	-1.0	-57.05	350.42	7.34	-49.71
CCN1C(=O)NC2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C21	REAL300009871705	0	38	-1.0	-55.97	336.01	5.85	-50.12
CSC1=CC(Br)=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871706	0	32	-1.0	-52.74	313.22	7.65	-45.09
N#CCCC(NC(=O)C1(C(=O)NC2=C(F)C=CC=C2F)CC1)C(=O)[O-]	REAL300009871707	0	39	-1.0	-52.95	359.58	6.34	-46.61
N#CCCC(NC(=O)C1(C2=CC=CC=C2)CNC(=O)C1)C(=O)[O-]	REAL300009871708	0	39	-1.0	-57.18	336.32	4.47	-52.71
COC(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1Br	REAL300009871709	0	35	-1.0	-52.34	324.74	7.47	-44.87
CC1=CC=C(C2=NC=C(C(=O)NC(CCC#N)C(=O)[O-])S2)C=C1C	REAL300009871710	0	40	-1.0	-52.85	361.41	8.13	-44.72
N#CCCC(NC(=O)CCC1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300009871711	0	37	-1.0	-54.35	341.88	6.59	-47.76
N#CCCC(NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300009871712	0	37	-1.0	-50.00	339.12	6.23	-43.77
N#CCCC(NC(=O)C1CCC2(CC2(F)F)CC1)C(=O)[O-]	REAL300009871713	0	38	-1.0	-51.78	325.98	7.73	-44.05
N#CCCC(NC(=O)C1=CC=C(C(F)F)C=C1F)C(=O)[O-]	REAL300009871714	0	31	-1.0	-59.88	295.77	6.96	-52.92
N#CCCC(NC(=O)CC1OCC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300009871715	0	36	-1.0	-57.23	331.75	7.14	-50.09
CC1=C(C2=CC=CC=C2)SC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871716	0	38	-1.0	-53.03	348.10	9.37	-43.66
N#CCCC(NC(=O)CCC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300009871717	0	34	-1.0	-54.01	331.22	8.29	-45.72
CC1=NN(C2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C2)C(C2=CC=CC=C2)=C1	REAL300009871718	0	48	-1.0	-56.39	410.38	10.85	-45.54
CCC1=C(C2=CC=CC=C2)SC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871719	0	41	-1.0	-52.94	368.54	10.08	-42.86
N#CCCC(NC(=O)CCCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300009871720	0	37	-1.0	-56.03	334.41	8.33	-47.70
CN1C=C(Br)C(C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300009871721	0	28	-1.0	-56.55	281.09	4.44	-52.11
CC1=CC=CC(C2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])N2C)=C1	REAL300009871722	0	42	-1.0	-53.35	356.02	9.32	-44.03
N#CCCC(NC(=O)[C@@H]1CCO[C@H]1C1=CC=NC=C1)C(=O)[O-]	REAL300009871723	0	38	-1.0	-52.98	330.08	5.06	-47.92
N#CCCC(NC(=O)C1=CN=CC=C1C(F)(F)F)C(=O)[O-]	REAL300009871724	0	30	-1.0	-55.01	282.51	5.30	-49.71
CC1=CC=CC=C1N1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C(F)F	REAL300009871725	0	41	-1.0	-53.06	362.61	8.63	-44.43
CC1=CC=C(C2(C(=O)NC(CCC#N)C(=O)[O-])CCOCC2)C=C1C	REAL300009871726	0	48	-1.0	-50.28	376.41	8.11	-42.17
N#CCCC(NC(=O)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1)C(=O)[O-]	REAL300009871727	0	41	-1.0	-51.84	363.34	9.27	-42.57
N#CCCC(NC(=O)C1(C2=CC=CC(OC(F)(F)F)=C2)CCC1)C(=O)[O-]	REAL300009871728	0	42	-1.0	-53.18	371.63	8.03	-45.15
N#CCCC(NC(=O)C1CCCCC1N1C=CC=N1)C(=O)[O-]	REAL300009871729	0	41	-1.0	-50.58	330.43	7.75	-42.83
N#CCCC(NC(=O)COCCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300009871730	0	38	-1.0	-55.51	343.26	7.92	-47.59
CC(COCC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1	REAL300009871731	0	41	-1.0	-55.88	354.49	8.34	-47.54
N#CCCC(NC(=O)C1CCOC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300009871732	0	36	-1.0	-58.08	331.67	6.92	-51.16
N#CCCC(NC(=O)C1=C(C(F)(F)F)N=C2C=CC=CN21)C(=O)[O-]	REAL300009871733	0	34	-1.0	-51.92	325.97	7.17	-44.75
N#CCCC(NC(=O)C1CCCN(S(N)(=O)=O)C1)C(=O)[O-]	REAL300009871734	0	38	-1.0	-55.10	330.25	0.05	-55.05
N#CCCC(NC(=O)CN1N=C2CCCCN2C1=O)C(=O)[O-]	REAL300009871735	0	38	-1.0	-68.36	332.25	6.01	-62.35
CNC(=O)NC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C(Cl)=C1	REAL300009871736	0	37	-1.0	-64.26	340.71	4.01	-60.25
N#CCCC(NC(=O)C1=CC(F)=CC2=CC=NC=C21)C(=O)[O-]	REAL300009871737	0	33	-1.0	-53.45	299.19	6.54	-46.91
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300009871738	0	41	-1.0	-59.88	377.78	8.58	-51.30
N#CCCC(NC(=O)C1(N2C=NN=N2)CCCCC1)C(=O)[O-]	REAL300009871739	0	39	-1.0	-48.67	320.72	5.79	-42.88
N#CCCC(NC(=O)C1(C2=CC=CC=C2Cl)CCC1)C(=O)[O-]	REAL300009871740	0	38	-1.0	-58.81	335.73	8.51	-50.30
N#CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2Cl)N=C1)C(=O)[O-]	REAL300009871741	0	36	-1.0	-52.82	337.69	8.29	-44.53
N#CCCC(NC(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300009871742	0	37	-1.0	-60.38	316.98	7.01	-53.37
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871743	0	43	-1.0	-55.38	386.39	9.69	-45.69
CC1=NN=NN1C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871744	0	36	-1.0	-56.53	323.54	6.06	-50.47
N#CCCC(NC(=O)CCCC1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300009871745	0	47	-1.0	-55.08	387.06	10.79	-44.29
CC1=NN(CC2CC2)C(C)=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871746	0	44	-1.0	-58.63	376.26	7.89	-50.74
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871747	0	49	-1.0	-59.79	405.90	9.80	-49.99
N#CCCC(NC(=O)C(CC1CCCO1)C(F)(F)F)C(=O)[O-]	REAL300009871748	0	38	-1.0	-48.23	327.70	5.89	-42.34
N#CCCC(NC(=O)C1=NSC=C1Br)C(=O)[O-]	REAL300009871749	0	24	-1.0	-52.68	260.15	4.12	-48.56
N#CCCC(NC(=O)C1=CC=CC(N2C=CNC2=O)=C1)C(=O)[O-]	REAL300009871750	0	36	-1.0	-73.37	319.50	6.17	-67.20
N#CCCC(NC(=O)C1=CC=C(N2C=CNC2=O)C=C1)C(=O)[O-]	REAL300009871751	0	36	-1.0	-64.21	320.16	6.14	-58.07
CC1=CC=C(C(=O)CCC(=O)NC(CCC#N)C(=O)[O-])S1	REAL300009871752	0	36	-1.0	-52.95	336.01	7.18	-45.77
CC1=CC=C(Br)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871753	0	31	-1.0	-53.91	293.94	7.31	-46.60
CC(C)COC1=NC=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871754	0	40	-1.0	-59.17	345.31	6.38	-52.79
N#CCCC(NC(=O)C1=C2C=CC(Cl)=CN2C=N1)C(=O)[O-]	REAL300009871755	0	31	-1.0	-57.59	302.05	7.77	-49.82
CCC(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(OC)C=C1	REAL300009871756	0	41	-1.0	-55.55	346.70	7.15	-48.40
N#CCCC(NC(=O)C1=CC=NC(OC2CCC2)=C1)C(=O)[O-]	REAL300009871757	0	38	-1.0	-54.12	332.32	5.27	-48.85
CN1C(=O)CC(C(=O)NC(CCC#N)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300009871758	0	42	-1.0	-54.34	381.41	7.91	-46.43
N#CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300009871759	0	31	-1.0	-51.61	312.50	7.45	-44.16
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC=NC=C1	REAL300009871760	0	37	-1.0	-54.41	328.02	5.78	-48.63
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300009871760	1	38	0.0	-79.17	330.61	6.28	-72.89
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300009871761	0	42	-1.0	-51.99	355.82	6.32	-45.67
CS(=O)(=O)N1CCC(CC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300009871762	0	42	-1.0	-61.49	355.95	3.38	-58.11
COC1=CC=C2CCCC(C(=O)NC(CCC#N)C(=O)[O-])C2=C1	REAL300009871763	0	42	-1.0	-55.31	349.21	7.48	-47.83
N#CCCC(NC(=O)C1=CN=C(C2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300009871764	0	34	-1.0	-56.53	331.21	7.17	-49.36
CC(C)OC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1Br	REAL300009871765	0	38	-1.0	-51.76	346.74	7.51	-44.25
N#CCCC(NC(=O)CC1C2CC3CC(C2)CC1C3)C(=O)[O-]	REAL300009871766	0	45	-1.0	-53.15	335.49	8.41	-44.74
COC1=CN2N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C2C=C1	REAL300009871767	0	35	-1.0	-56.51	313.92	4.96	-51.55
N#CCCC(NC(=O)C1=NN(C2=CC=C(Br)C=C2)N=C1)C(=O)[O-]	REAL300009871768	0	34	-1.0	-49.79	337.34	6.22	-43.57
N#CCCC(NC(=O)C=CC1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300009871769	0	35	-1.0	-54.48	331.22	6.26	-48.22
CN(C)C1=NC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300009871770	0	35	-1.0	-50.20	325.33	5.17	-45.03
N#CCCC(NC(=O)C1=CN=C(CC2=C(Cl)C=CC=C2Cl)S1)C(=O)[O-]	REAL300009871771	0	37	-1.0	-52.15	374.47	8.40	-43.75
N#CCCC(NC(=O)C1=CN=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300009871772	0	34	-1.0	-51.72	340.60	7.40	-44.32
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871773	0	41	-1.0	-54.80	358.48	7.72	-47.08
COC1=CC=C(C2=NC(C)=C(C(=O)NC(CCC#N)C(=O)[O-])S2)C(F)=C1	REAL300009871774	0	41	-1.0	-53.57	374.05	6.81	-46.76
CC(CC(=O)NC(CCC#N)C(=O)[O-])N1C=C(Br)C=N1	REAL300009871775	0	34	-1.0	-48.89	320.12	5.77	-43.12
N#CCCC(NC(=O)C1=CSC2=CC(Cl)=CN=C12)C(=O)[O-]	REAL300009871776	0	30	-1.0	-59.77	305.37	6.15	-53.62
N#CCCC(NC(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300009871777	0	36	-1.0	-54.25	325.50	6.38	-47.87
N#CCCC(NC(=O)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1)C(=O)[O-]	REAL300009871778	0	39	-1.0	-53.23	354.18	7.46	-45.77
N#CCCC(NC(=O)C1=C(COCC(=O)[O-])OC=N1)C(=O)[O-]	REAL300009871779	0	33	-2.0	-121.39	317.79	2.05	-119.34
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])SC(C2=CC=CC=C2F)=N1	REAL300009871780	0	37	-1.0	-55.58	344.61	7.79	-47.79
N#CCCC(NC(=O)C1=C(C(F)(F)F)N=CS1)C(=O)[O-]	REAL300009871781	0	27	-1.0	-55.76	278.08	4.27	-51.49
N#CCCC(NC(=O)C1(C2=CC=CC=C2)CCC(=O)NC1)C(=O)[O-]	REAL300009871782	0	42	-1.0	-59.38	351.13	5.44	-53.94
CN1N=CC2=C1N(C)C=C(C(=O)NC(CCC#N)C(=O)[O-])C2=O	REAL300009871783	0	37	-1.0	-64.91	323.08	6.03	-58.88
CN1C=CN=C1C(CC(=O)NC(CCC#N)C(=O)[O-])C(F)(F)F	REAL300009871784	0	37	-1.0	-49.83	335.44	6.21	-43.62
N#CCCC(NC(=O)C1=CN(C2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300009871785	0	35	-1.0	-53.47	324.46	7.19	-46.28
CC(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1OC(C)C	REAL300009871786	0	43	-1.0	-55.16	364.43	8.48	-46.68
CN1N=C2C=C(Br)C=CC2=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871787	0	34	-1.0	-52.83	329.43	6.47	-46.36
CC1=C(CCC(=O)NC(CCC#N)C(=O)[O-])C(C)=C(C#N)C(=O)N1	REAL300009871788	0	41	-1.0	-58.96	357.89	5.57	-53.39
N#CCCC(NC(=O)C1=CC(Br)=CC=C1O)C(=O)[O-]	REAL300009871789	0	29	-1.0	-51.58	286.38	5.17	-46.41
N#CCCC(NC(=O)C1=CC(Br)=CC=C1[O-])C(=O)[O-]	REAL300009871789	1	28	-2.0	-112.76	282.81	6.18	-106.58
COC1=C(Br)SC(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871790	0	29	-1.0	-49.46	300.95	5.02	-44.44
N#CCCC(NC(=O)C1=CC2=CC=C(F)C=C2S1)C(=O)[O-]	REAL300009871791	0	31	-1.0	-50.88	302.34	7.51	-43.37
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NC(CCC#N)C(=O)[O-]	REAL300009871792	0	49	-1.0	-58.61	409.57	10.65	-47.96
COC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871793	0	44	-1.0	-60.78	378.04	9.95	-50.83
COC(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300009871794	0	36	-1.0	-52.30	340.00	7.31	-44.99
CCOC(=O)C1=C(C)NC(C(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300009871795	0	41	-1.0	-55.55	360.95	6.69	-48.86
COC(=O)C1=CC=C(C=CC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871796	0	38	-1.0	-55.36	346.36	7.82	-47.54
COC(=O)C1=C(C)NC(C(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300009871797	0	38	-1.0	-55.61	339.09	5.76	-49.85
COC(=O)NC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300009871798	0	39	-1.0	-56.71	363.04	5.22	-51.49
N#CCCC(NC(=O)C1CC2=CC=CC=C2C(=O)O1)C(=O)[O-]	REAL300009871799	0	35	-1.0	-57.66	315.93	7.71	-49.95
CCOC(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300009871800	0	39	-1.0	-51.53	361.04	8.27	-43.26
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NC(CCC#N)C(=O)[O-])N1	REAL300009871801	0	44	-1.0	-56.01	382.04	7.35	-48.66
CCC1=C(C(=O)OC)C(C)=C(C(=O)NC(CCC#N)C(=O)[O-])N1	REAL300009871802	0	41	-1.0	-56.24	360.73	6.50	-49.74
COCCOC(=O)C1=C(C)NC(C(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300009871803	0	45	-1.0	-56.77	394.58	5.90	-50.87
CCOC(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])N=C1C	REAL300009871804	0	39	-1.0	-51.01	347.14	6.40	-44.61
COC(=O)C(C)SC1=CC=CC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871805	0	41	-1.0	-62.93	363.64	8.45	-54.48
CCCC1=C(C(=O)NC(CCC#N)C(=O)[O-])NC(C)=C1C(=O)OC	REAL300009871806	0	44	-1.0	-56.68	382.06	7.27	-49.41
CCOC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NC(CCC#N)C(=O)[O-])C1	REAL300009871807	0	46	-1.0	-56.52	402.77	7.96	-48.56
CCOC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1OCC(=O)OC	REAL300009871808	0	45	-1.0	-61.39	393.92	7.58	-53.81
COC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871809	0	41	-1.0	-51.92	360.18	7.71	-44.21
CN1C(=O)OC2=C(C(=O)NC(CCC#N)C(=O)[O-])C=CC=C21	REAL300009871810	0	34	-1.0	-68.79	310.52	6.47	-62.32
CCOC(=O)C1=C2N=CC=C(C(=O)NC(CCC#N)C(=O)[O-])N2N=C1	REAL300009871811	0	39	-1.0	-55.79	355.46	6.90	-48.89
COC(=O)C1=CC=CC(CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871812	0	37	-1.0	-55.48	336.24	7.37	-48.11
N#CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C(=O)[O-]	REAL300009871813	0	35	-2.0	-120.03	330.85	5.31	-114.72
N#CCCC(NC(=O)C(O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300009871814	0	38	-1.0	-52.96	351.58	6.34	-46.62
COC1=CC=C(CN2N=NC(C(=O)NC(CCC#N)C(=O)[O-])=C2C)C=C1	REAL300009871815	0	44	-1.0	-56.37	381.47	5.82	-50.55
COC(=O)C1=CC=C2CCCC(CC(=O)NC(CCC#N)C(=O)[O-])C2=C1	REAL300009871816	0	47	-1.0	-55.27	390.76	9.53	-45.74
N#CCCC(NC(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300009871817	0	31	-1.0	-60.26	295.13	5.72	-54.54
CN(C)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300009871818	0	39	-1.0	-51.17	346.38	7.41	-43.76
N#CCCC(NC(=O)C1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300009871819	0	32	-1.0	-51.84	313.45	7.45	-44.39
COC1=CC=CC=C1CN1C=NC2=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300009871820	0	48	-1.0	-62.34	414.27	10.60	-51.74
N#CCCC(NC(=O)CC12CCCCC1C2(F)F)C(=O)[O-]	REAL300009871821	0	38	-1.0	-48.89	318.47	7.45	-41.44
CC1=CC(Br)=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300009871822	0	34	-1.0	-50.47	311.06	7.86	-42.61
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871823	0	42	-1.0	-56.44	359.27	8.14	-48.30
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=CC(Br)=C1F	REAL300009871824	0	31	-1.0	-49.50	298.04	7.32	-42.18
N#CCCC(NC(=O)C1=CC2=NC(Cl)=CC=C2S1)C(=O)[O-]	REAL300009871825	0	30	-1.0	-54.15	307.95	5.90	-48.25
N#CCCC(NC(=O)C1=CC=C(F)C2=CC=NC=C12)C(=O)[O-]	REAL300009871826	0	33	-1.0	-54.49	299.04	6.53	-47.96
N#CCCC(NC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300009871827	0	31	-1.0	-54.31	320.88	7.22	-47.09
N#CCCC(NC(=O)CCC1=CSC=C1Br)C(=O)[O-]	REAL300009871828	0	31	-1.0	-53.36	312.24	6.99	-46.37
N#CCCC(NC(=O)C1=CC(Br)=CC(N2CCCC2)=C1)C(=O)[O-]	REAL300009871829	0	40	-1.0	-50.37	355.38	7.14	-43.23
N#CCCC(NC(=O)CC(N1C=CC=N1)C(F)(F)F)C(=O)[O-]	REAL300009871830	0	34	-1.0	-54.52	314.30	5.69	-48.83
N#CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300009871831	0	34	-1.0	-57.08	336.70	4.13	-52.95
N#CCCC(NC(=O)C1=C(Cl)N=C2C=CSC2=C1)C(=O)[O-]	REAL300009871832	0	30	-1.0	-54.42	300.57	5.92	-48.50
N#CCCC(NC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300009871833	0	42	-1.0	-57.17	366.28	7.80	-49.37
CC(C)C1=CC=C(C2(C(=O)NC(CCC#N)C(=O)[O-])CCCCC2)C=C1	REAL300009871834	0	53	-1.0	-57.53	409.44	11.23	-46.30
CC(C)(C)N1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1Br	REAL300009871835	0	37	-1.0	-53.39	332.36	5.94	-47.45
N#CCCC(NC(=O)C1CC=CCC1C(F)(F)F)C(=O)[O-]	REAL300009871836	0	35	-1.0	-54.82	297.99	6.79	-48.03
N#CCCC(NC(=O)C1COCC1C1=CC=CC=C1)C(=O)[O-]	REAL300009871837	0	39	-1.0	-56.31	332.55	6.47	-49.84
CC1=CC(C=CC(=O)NC(CCC#N)C(=O)[O-])=CC=C1OC(F)(F)F	REAL300009871838	0	39	-1.0	-52.17	356.74	7.74	-44.43
CC(C)N(C)S(=O)(=O)C1=CC=C(C=CC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871839	0	49	-1.0	-58.00	424.69	6.57	-51.43
CC1(C(=O)NC(CCC#N)C(=O)[O-])CC1(Br)Br	REAL300009871840	0	28	-1.0	-49.63	285.82	6.37	-43.26
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)N1C1CCOCC1	REAL300009871841	0	46	-1.0	-55.95	365.86	7.19	-48.76
N#CCCC(NC(=O)C1=C2C(Cl)=CC=CN2N=C1)C(=O)[O-]	REAL300009871842	0	31	-1.0	-60.11	294.35	6.28	-53.83
N#CCCC(NC(=O)C1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300009871843	0	28	-1.0	-54.17	296.63	6.78	-47.39
CC(C)[C@H](NCC(F)(F)F)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871844	0	38	-1.0	-51.66	332.96	4.59	-47.07
N#CCCC(NC(=O)C1=CNN=C1C1CCOCC1)C(=O)[O-]	REAL300009871845	0	39	-1.0	-55.88	331.08	3.88	-52.00
N#CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C(=O)[O-]	REAL300009871846	0	34	-1.0	-48.72	322.15	7.03	-41.69
CC1=NN(C)C(Br)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871847	0	31	-1.0	-52.13	305.72	4.67	-47.46
CN1N=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1Br	REAL300009871848	0	28	-1.0	-52.99	279.58	4.16	-48.83
N#CCCC(NC(=O)C1=C(Br)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300009871849	0	35	-1.0	-54.56	333.88	7.54	-47.02
CN1C=CN=C1[C@@H]1[C@@H](C(=O)NC(CCC#N)C(=O)[O-])CCC(=O)N1C1CC1	REAL300009871850	0	49	-1.0	-49.85	398.01	6.93	-42.92
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871851	0	36	-1.0	-50.64	325.78	6.15	-44.49
N#CCCC(NC(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300009871852	0	31	-1.0	-56.55	307.62	7.34	-49.21
N#CCCC(NC(=O)C1=CC(C2=CC=CC(Br)=C2)=NO1)C(=O)[O-]	REAL300009871853	0	34	-1.0	-49.04	337.04	7.57	-41.47
N#CCCC(NC(=O)C1=CC(C2=CC=C(Br)C=C2)=NO1)C(=O)[O-]	REAL300009871854	0	34	-1.0	-48.10	336.80	7.65	-40.45
N#CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300009871855	0	31	-1.0	-51.28	312.88	7.89	-43.39
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871856	0	39	-1.0	-55.86	338.88	7.36	-48.50
N#CCCC(NC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C(=O)[O-]	REAL300009871857	0	37	-1.0	-56.10	336.41	7.62	-48.48
N#CCCC(NC(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300009871858	0	47	-1.0	-53.82	382.72	10.49	-43.33
N#CCCC(NC(=O)C1(C(F)(F)F)CCCCC1)C(=O)[O-]	REAL300009871859	0	37	-1.0	-52.37	308.63	7.02	-45.35
CC(C)(OC1=CC=C(Br)C=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871860	0	38	-1.0	-53.93	338.01	8.10	-45.83
CC1=C2C=C(C(=O)NC(CCC#N)C(=O)[O-])NC2=CC=C1Br	REAL300009871861	0	35	-1.0	-51.18	328.75	7.10	-44.08
COC1=CC=CC=C1C(F)(F)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871862	0	35	-1.0	-52.69	318.56	6.15	-46.54
N#CCCC(NC(=O)C1=COC(C2=CC=CN=C2)=N1)C(=O)[O-]	REAL300009871863	0	33	-1.0	-54.33	312.26	2.63	-51.70
COCCCN1N=C(C(=O)NC(CCC#N)C(=O)[O-])C=CC1=O	REAL300009871864	0	40	-1.0	-52.32	356.52	3.82	-48.50
CC(C)(C)N1C=C(Br)C(C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300009871865	0	37	-1.0	-55.60	340.72	6.43	-49.17
CN1C(=O)C(C)(C)C2=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300009871866	0	42	-1.0	-54.44	360.72	7.52	-46.92
N#CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300009871867	0	34	-2.0	-100.11	316.53	6.84	-93.27
COC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1C(F)(F)F	REAL300009871868	0	35	-1.0	-51.61	323.96	6.37	-45.24
CN(C)C(=O)C1CCC(C(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300009871869	0	44	-1.0	-59.39	352.77	6.12	-53.27
CC1=C(Br)C=NC=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871870	0	30	-1.0	-49.54	286.25	5.46	-44.08
CC(C)[C@@H](C(=O)NC(CCC#N)C(=O)[O-])N1CC2=CC=CC=C2C1=O	REAL300009871871	0	45	-1.0	-65.18	369.99	10.11	-55.07
COC1=CC=C(OC(C)(C)C(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300009871872	0	42	-1.0	-58.59	346.23	6.76	-51.83
CC(C)CC(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300009871873	0	43	-1.0	-53.67	372.63	9.65	-44.02
N#CCCC(NC(=O)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)C(=O)[O-]	REAL300009871874	0	38	-1.0	-58.07	354.82	6.25	-51.82
CC(C)N1C(=O)NC2=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=C21	REAL300009871875	0	41	-1.0	-55.66	350.80	6.29	-49.37
N#CCCC(NC(=O)CC1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300009871876	0	31	-1.0	-53.02	313.84	7.57	-45.45
COC1=CC=CC(CC(=O)NC(CCC#N)C(=O)[O-])=C1Cl	REAL300009871877	0	35	-1.0	-53.89	324.49	6.48	-47.41
N#CCCC(NC(=O)C(CC1COCCO1)C(F)(F)F)C(=O)[O-]	REAL300009871878	0	39	-1.0	-51.62	339.12	4.72	-46.90
N#CCCC(NC(=O)C1=C(C(F)(F)F)N=C2CCCCN21)C(=O)[O-]	REAL300009871879	0	38	-1.0	-50.73	343.57	6.90	-43.83
N#CCCC(NC(=O)C1=CC(N2C=CN=N2)=CC=C1F)C(=O)[O-]	REAL300009871880	0	34	-1.0	-63.04	313.18	6.01	-57.03
N#CCCC(NC(=O)C1(N2C=NN=N2)CCOCC1)C(=O)[O-]	REAL300009871881	0	37	-1.0	-52.32	315.43	3.57	-48.75
N#CCCC(NC(=O)C1=C(F)C=CC2=CC=NC=C21)C(=O)[O-]	REAL300009871882	0	33	-1.0	-59.82	307.33	6.24	-53.58
N#CCCC(NC(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300009871883	0	38	-1.0	-57.48	356.41	5.98	-51.50
N#CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C(=O)[O-]	REAL300009871884	0	34	-2.0	-109.21	316.61	6.82	-102.39
N#CCCC(NC(=O)[C@@H]1CCO[C@H]1C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300009871885	0	38	-1.0	-51.58	351.19	5.70	-45.88
N#CCCC(NC(=O)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)C(=O)[O-]	REAL300009871886	0	36	-1.0	-51.44	347.94	6.63	-44.81
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871887	0	42	-1.0	-64.94	365.75	3.00	-61.94
CC(C)(C)C(NC(=O)OCC1=CC=CC=C1)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871888	0	51	-1.0	-49.57	417.56	7.72	-41.85
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871889	0	47	-1.0	-47.77	382.25	2.91	-44.86
CO[C@@H]1C[C@H](C(=O)NC(CCC#N)C(=O)[O-])N(C(=O)OCC2=CC=CC=C2)C1	REAL300009871890	0	50	-1.0	-68.45	430.39	7.29	-61.16
CN1N=C(Cl)C(C(=O)NC(CCC#N)C(=O)[O-])=C1Cl	REAL300009871891	0	28	-1.0	-49.44	296.15	4.48	-44.96
CO[C@@H]1C[C@@H](C(=O)NC(CCC#N)C(=O)[O-])N(C(=O)OCC2=CC=CC=C2)C1	REAL300009871892	0	50	-1.0	-63.53	432.47	7.52	-56.01
N#CCCC(NC(=O)C1(C2CCCC2)CCNC1=O)C(=O)[O-]	REAL300009871893	0	42	-1.0	-52.89	330.73	4.12	-48.77
CCOC1=CC=CC(C=CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871894	0	39	-1.0	-55.19	342.10	7.42	-47.77
N#CCCC(NC(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21)C(=O)[O-]	REAL300009871895	0	42	-1.0	-56.72	369.52	10.05	-46.67
CS(=O)(=O)N1CCC[C@H](C(=O)NC(CCC#N)C(=O)[O-])C1	REAL300009871896	0	39	-1.0	-55.46	336.92	2.70	-52.76
COC1=CC=C(CC(=O)NC(CCC#N)C(=O)[O-])C=C1OC(F)F	REAL300009871897	0	39	-1.0	-62.11	350.20	6.14	-55.97