CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(C(=O)[O-])CCCCC1	REAL300000674001	0	55	-1.0	-61.03	407.61	9.54	-51.49
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1CC=CCC1C(=O)[O-]	REAL300000674002	0	50	-1.0	-64.79	391.71	8.49	-56.30
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(CC(=O)[O-])CCCCC1	REAL300000674003	0	58	-1.0	-46.80	419.94	9.37	-37.43
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(CC(=O)[O-])CCCC1	REAL300000674004	0	55	-1.0	-51.63	411.61	8.96	-42.67
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CSCC(=O)[O-]	REAL300000674005	0	43	-1.0	-54.25	364.31	6.73	-47.52
CCC(CC)(CC(=O)NC(C)C1=CN(C(C)(C)C)N=C1C)C(=O)[O-]	REAL300000674006	0	54	-1.0	-60.70	403.67	8.91	-51.79
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300000674007	0	56	-1.0	-62.55	436.17	11.34	-51.21
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(C)(CC(=O)[O-])C1CCCCC1	REAL300000674008	0	61	-1.0	-44.43	437.81	10.02	-34.41
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC(C)(C)C(=O)[O-]	REAL300000674009	0	48	-1.0	-47.50	372.12	7.26	-40.24
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300000674010	0	50	-1.0	-46.10	384.85	8.36	-37.74
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1CC=CCC1C(=O)[O-]	REAL300000674011	0	50	-1.0	-64.79	391.71	8.49	-56.30
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1CCC(C(=O)[O-])O1	REAL300000674012	0	47	-1.0	-63.51	377.32	7.20	-56.31
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1C2C=CC(CC2)C1C(=O)[O-]	REAL300000674013	0	54	-1.0	-43.29	408.80	9.20	-34.09
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(CC(=O)[O-])CCC1	REAL300000674014	0	52	-1.0	-50.44	397.92	8.43	-42.01
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(C)OC(C)C(=O)[O-]	REAL300000674015	0	49	-1.0	-64.13	395.61	7.63	-56.50
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(C(=O)[O-])CCOC1	REAL300000674016	0	50	-1.0	-59.52	384.85	6.67	-52.85
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(C(=O)[O-])CCC1	REAL300000674017	0	49	-1.0	-61.86	382.56	7.87	-53.99
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(C)SC(C)C(=O)[O-]	REAL300000674018	0	49	-1.0	-59.35	402.52	7.94	-51.41
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1=C(C(=O)[O-])CCCC1	REAL300000674019	0	50	-1.0	-55.61	391.27	9.12	-46.49
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(C(=O)[O-])CCCC2=CC=CC=C21	REAL300000674020	0	59	-1.0	-64.31	444.80	11.21	-53.10
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000674021	0	46	-1.0	-53.68	386.81	9.13	-44.55
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC(C)CC(=O)[O-]	REAL300000674022	0	48	-1.0	-54.88	375.56	7.40	-47.48
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	REAL300000674023	0	52	-1.0	-62.61	391.29	8.32	-54.29
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1CC(C(=O)[O-])C1	REAL300000674024	0	46	-1.0	-53.77	366.80	7.32	-46.45
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1=C(C(=O)[O-])C(C)=CC=C1C	REAL300000674025	0	52	-1.0	-64.41	419.41	9.36	-55.05
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1C(C(=O)[O-])C1(C)C	REAL300000674026	0	49	-1.0	-45.65	385.71	8.02	-37.63
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1CCCC1C(=O)[O-]	REAL300000674027	0	49	-1.0	-57.59	383.05	7.89	-49.70
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(C)(CC(=O)[O-])C1=CSC=C1	REAL300000674028	0	52	-1.0	-55.34	414.37	9.32	-46.02
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(C)(CC(=O)[O-])CC(C)C	REAL300000674029	0	57	-1.0	-43.03	408.52	9.43	-33.60
CCC(CC(=O)[O-])(C(=O)NC(C)C1=CN(C(C)(C)C)N=C1C)C1=CC=C(C)C=C1	REAL300000674030	0	61	-1.0	-55.03	456.95	11.30	-43.73
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(C)(CC(=O)[O-])C1=CC=C(F)C=C1	REAL300000674031	0	55	-1.0	-53.98	429.01	10.34	-43.64
CCC(C)(CC(=O)[O-])C(=O)NC(C)C1=CN(C(C)(C)C)N=C1C	REAL300000674032	0	51	-1.0	-48.16	386.48	7.59	-40.57
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300000674033	0	58	0.0	-64.74	425.50	9.30	-55.44
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(C)(C)SCC(=O)[O-]	REAL300000674034	0	49	-1.0	-55.86	396.60	7.86	-48.00
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	REAL300000674035	0	51	-1.0	-51.99	388.29	8.91	-43.08
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300000674036	0	56	-1.0	-61.10	431.77	11.23	-49.87
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)[C@H]1C[C@]1(C(=O)[O-])C1=CC=CC=C1	REAL300000674037	0	53	-1.0	-55.62	425.46	10.06	-45.56
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300000674038	0	52	-1.0	-59.99	401.73	8.56	-51.43
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1(C2=CC=CC=C2)CC1C(=O)[O-]	REAL300000674039	0	53	-1.0	-65.02	427.99	10.30	-54.72
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(C(=O)[O-])CC(F)(F)C1(F)F	REAL300000674040	0	49	-1.0	-50.58	405.47	8.14	-42.44
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(CC(=O)[O-])CC(C)C	REAL300000674041	0	54	-1.0	-53.62	410.17	9.13	-44.49
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	REAL300000674042	0	54	-1.0	-59.76	404.73	9.14	-50.62
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300000674043	0	55	-1.0	-59.49	433.57	11.12	-48.37
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(C)(C)OCC(=O)[O-]	REAL300000674044	0	49	-1.0	-60.88	386.81	7.37	-53.51
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1=C(C)SC(C)=C1C(=O)[O-]	REAL300000674045	0	49	-1.0	-57.33	405.62	8.40	-48.93
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CCCCCCC(=O)[O-]	REAL300000674046	0	54	-1.0	-52.84	427.45	9.28	-43.56
CCC1CC(C(=O)[O-])C(C(=O)NC(C)C2=CN(C(C)(C)C)N=C2C)C1	REAL300000674047	0	55	-1.0	-54.74	418.98	9.10	-45.64
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CCCCCC(=O)[O-]	REAL300000674048	0	51	-1.0	-55.64	405.95	8.50	-47.14
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(CC(=O)[O-])CC1	REAL300000674049	0	49	-1.0	-51.32	390.04	8.09	-43.23
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC1(C(=O)[O-])CC1	REAL300000674050	0	46	-1.0	-65.10	365.36	8.31	-56.79
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300000674051	0	51	-1.0	-59.83	395.92	6.65	-53.18
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1=C(C(=O)[O-])CCCCC1	REAL300000674052	0	53	-1.0	-70.43	404.67	10.21	-60.22
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1CCC(C(=O)[O-])S1	REAL300000674053	0	47	-1.0	-51.32	384.99	7.75	-43.57
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1=C(C(=O)[O-])CCC1	REAL300000674054	0	47	-1.0	-68.15	376.40	8.01	-60.14
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C12CC1(C(=O)[O-])CCC2	REAL300000674055	0	50	-1.0	-59.14	389.69	8.60	-50.54
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1C2CCC(CC2)C1C(=O)[O-]	REAL300000674056	0	56	-1.0	-50.53	407.44	9.74	-40.79
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)[C@@H]1CCCCC[C@@H]1C(=O)[O-]	REAL300000674057	0	55	-1.0	-64.51	405.25	9.60	-54.91
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC(C(=O)[O-])C1CCCCC1	REAL300000674058	0	58	-1.0	-63.84	438.01	10.20	-53.64
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CCCCC(=O)[O-]	REAL300000674059	0	48	-1.0	-51.21	384.45	7.72	-43.49
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1=C(C(=O)[O-])CCCCCC1	REAL300000674060	0	56	-1.0	-70.64	412.42	10.78	-59.86
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]	REAL300000674061	0	55	-1.0	-64.20	439.10	10.81	-53.39
COC1=CC=C(C(CC(=O)[O-])C(=O)NC(C)C2=CN(C(C)(C)C)N=C2C)C=C1	REAL300000674062	0	56	-1.0	-55.54	446.23	8.79	-46.75
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000674063	0	52	-1.0	-53.29	433.49	10.02	-43.27
CC1=C(CNC(=O)CC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2O1	REAL300000674064	0	46	-1.0	-61.90	374.82	10.47	-51.43
CC1=C(CNC(=O)CC2(C(=O)[O-])CCCCCC2)C2=CC=CC=C2O1	REAL300000674065	0	49	-1.0	-64.03	359.79	10.09	-53.94
CC1=C(CNC(=O)CC2(C(=O)[O-])CCCC2)C2=CC=CC=C2O1	REAL300000674066	0	43	-1.0	-58.69	344.44	9.16	-49.53
CC1=C(CNC(=O)CC(C)(C)CC(=O)[O-])C2=CC=CC=C2O1	REAL300000674067	0	42	-1.0	-50.56	332.39	7.74	-42.82
CC1=C(CNC(=O)CC(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2O1	REAL300000674068	0	43	-1.0	-59.99	363.27	10.27	-49.72
CC1=C(CNC(=O)CC2(C(=O)[O-])CCCCC2)C2=CC=CC=C2O1	REAL300000674069	0	46	-1.0	-58.68	355.37	9.56	-49.12
CC1=C(CNC(=O)C2CC=CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674070	0	41	-1.0	-60.51	337.95	8.44	-52.07
CC1=C(CNC(=O)CC2(CC(=O)[O-])CCCCC2)C2=CC=CC=C2O1	REAL300000674071	0	49	-1.0	-51.46	367.19	9.34	-42.12
CC1=C(CNC(=O)CC2(CC(=O)[O-])CCCC2)C2=CC=CC=C2O1	REAL300000674072	0	46	-1.0	-48.45	357.10	8.91	-39.54
CCC(CC)(CC(=O)NCC1=C(C)OC2=CC=CC=C21)C(=O)[O-]	REAL300000674073	0	45	-1.0	-60.69	351.54	8.80	-51.89
CC1=C(CNC(=O)CC2(C(=O)[O-])CC3=CC=CC=C3C2)C2=CC=CC=C2O1	REAL300000674074	0	47	-1.0	-59.09	383.74	11.30	-47.79
CC1=C(CNC(=O)C(C)(CC(=O)[O-])C2CCCCC2)C2=CC=CC=C2O1	REAL300000674075	0	52	-1.0	-54.23	388.12	10.48	-43.75
CC1=C(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674076	0	41	-1.0	-49.22	332.66	8.36	-40.86
CC1=C(CNC(=O)C2CC=CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674077	0	41	-1.0	-60.51	337.95	8.44	-52.07
CC1=C(CNC(=O)C2CCC(C(=O)[O-])O2)C2=CC=CC=C2O1	REAL300000674078	0	38	-1.0	-60.75	324.03	7.15	-53.60
CC1=C(CNC(=O)C2C3C=CC(CC3)C2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674079	0	45	-1.0	-46.82	349.26	10.34	-36.48
CC1=C(CNC(=O)CC(C)(C(=O)[O-])C2=CC=C(Cl)C=C2)C2=CC=CC=C2O1	REAL300000674080	0	46	-1.0	-56.07	391.54	10.99	-45.08
CC1=C(CNC(=O)CC2(CC(=O)[O-])CCC2)C2=CC=CC=C2O1	REAL300000674081	0	43	-1.0	-50.69	345.72	8.41	-42.28
CC1=C(CNC(=O)C(C)OC(C)C(=O)[O-])C2=CC=CC=C2O1	REAL300000674082	0	40	-1.0	-61.30	342.70	7.60	-53.70
CC1=C(CNC(=O)CC2(C(=O)[O-])CCOC2)C2=CC=CC=C2O1	REAL300000674083	0	41	-1.0	-59.25	332.43	6.66	-52.59
COC1=CC=C(N(CC(=O)[O-])CC(=O)NCC2=C(C)OC3=CC=CC=C32)C=C1	REAL300000674084	0	49	-1.0	-52.38	409.67	9.10	-43.28
CC1=C(CNC(=O)CN(CC(=O)[O-])C2=CC=C(Cl)C=C2)C2=CC=CC=C2O1	REAL300000674085	0	45	-1.0	-48.69	396.88	10.33	-38.36
CC1=C(CNC(=O)CC2(C(=O)[O-])CCC2)C2=CC=CC=C2O1	REAL300000674086	0	40	-1.0	-61.26	330.13	7.84	-53.42
CC1=C(CNC(=O)C(C)SC(C)C(=O)[O-])C2=CC=CC=C2O1	REAL300000674087	0	40	-1.0	-56.90	349.60	7.91	-48.99
CC1=C(CNC(=O)C2=C(C(=O)[O-])CCCC2)C2=CC=CC=C2O1	REAL300000674088	0	41	-1.0	-66.70	336.99	9.82	-56.88
CC1=C(CNC(=O)CC2(C(=O)[O-])CCCC3=CC=CC=C32)C2=CC=CC=C2O1	REAL300000674089	0	50	-1.0	-64.39	392.37	11.17	-53.22
CC1=C(CNC(=O)C2=CC(F)=C(F)C=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674090	0	37	-1.0	-56.30	334.44	9.20	-47.10
CC1=C(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674091	0	43	-1.0	-61.10	338.87	8.30	-52.80
CC1=C(CNC(=O)C2=C(C(=O)[O-])C(C)=CC=C2C)C2=CC=CC=C2O1	REAL300000674092	0	43	-1.0	-56.40	358.33	9.48	-46.92
CC1=C(CNC(=O)C2C(C(=O)[O-])C2(C)C)C2=CC=CC=C2O1	REAL300000674093	0	40	-1.0	-46.34	333.47	8.04	-38.30
CC1=C(CNC(=O)C2CCCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674094	0	40	-1.0	-53.74	326.19	8.16	-45.58
CC1=C(CNC(=O)C(C)(CC(=O)[O-])C2=CSC=C2)C2=CC=CC=C2O1	REAL300000674095	0	43	-1.0	-55.79	361.10	9.28	-46.51
CC1=C(CNC(=O)C(CC(=O)[O-])C2=C(F)C=CC=C2Cl)C2=CC=CC=C2O1	REAL300000674096	0	43	-1.0	-48.82	375.35	9.90	-38.92
CC1=C(CNC(=O)C(C)(CC(=O)[O-])CC(C)C)C2=CC=CC=C2O1	REAL300000674097	0	48	-1.0	-53.27	365.52	9.52	-43.75
CCC(CC(=O)[O-])(C(=O)NCC1=C(C)OC2=CC=CC=C21)C1=CC=C(C)C=C1	REAL300000674098	0	52	-1.0	-57.80	403.86	11.36	-46.44
CC1=C(CNC(=O)C(C)(CC(=O)[O-])C2=CC=C(F)C=C2)C2=CC=CC=C2O1	REAL300000674099	0	46	-1.0	-49.92	375.77	10.29	-39.63
CCC(C)(CC(=O)[O-])C(=O)NCC1=C(C)OC2=CC=CC=C21	REAL300000674100	0	42	-1.0	-47.21	333.57	7.56	-39.65
CC1=C(CNC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C2=CC=CC=C2O1	REAL300000674101	0	49	0.0	-68.50	373.92	9.31	-59.19
CC1=C(CNC(=O)C(C)(C)SCC(=O)[O-])C2=CC=CC=C2O1	REAL300000674102	0	40	-1.0	-53.47	343.70	7.82	-45.65
CC1=C(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674103	0	42	-1.0	-48.98	336.13	8.88	-40.10
CC1=C(CNC(=O)CC2(C(=O)[O-])CCC3=CC=CC=C32)C2=CC=CC=C2O1	REAL300000674104	0	47	-1.0	-63.18	382.91	11.18	-52.00
CC1=C(CNC(=O)[C@H]2C[C@]2(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2O1	REAL300000674105	0	44	-1.0	-56.74	374.37	10.12	-46.62
CC1=C(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300000674106	0	43	-1.0	-56.70	347.18	8.49	-48.21
CC1=C(CNC(=O)C2(C3=CC=CC=C3)CC2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674107	0	44	-1.0	-63.12	372.52	10.15	-52.97
CC1=C(CNC(=O)CC2(C(=O)[O-])CC(F)(F)C2(F)F)C2=CC=CC=C2O1	REAL300000674108	0	40	-1.0	-48.61	352.55	8.10	-40.51
CC1=C(CNC(=O)C(CC(=O)[O-])CC(C)C)C2=CC=CC=C2O1	REAL300000674109	0	45	-1.0	-51.77	357.34	9.10	-42.67
CC1=C(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])C2=CC=CC=C2O1	REAL300000674110	0	45	-1.0	-62.55	353.76	9.42	-53.13
CC1=C(CNC(=O)CC(C(=O)[O-])C2=CC=C(C)C=C2)C2=CC=CC=C2O1	REAL300000674111	0	46	-1.0	-58.65	384.03	10.58	-48.07
CC1=C(CNC(=O)C(C)(C)OCC(=O)[O-])C2=CC=CC=C2O1	REAL300000674112	0	40	-1.0	-58.12	333.90	7.33	-50.79
CC1=C(CNC(=O)C2=C(C)SC(C)=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674113	0	40	-1.0	-61.56	353.21	8.37	-53.19
CC1=C(CNC(=O)CCCCCCC(=O)[O-])C2=CC=CC=C2O1	REAL300000674114	0	45	-1.0	-51.34	374.54	9.26	-42.08
CCC1CC(C(=O)[O-])C(C(=O)NCC2=C(C)OC3=CC=CC=C32)C1	REAL300000674115	0	46	-1.0	-51.01	365.74	9.06	-41.95
CC1=C(CNC(=O)CCCCCC(=O)[O-])C2=CC=CC=C2O1	REAL300000674116	0	42	-1.0	-53.69	353.04	8.48	-45.21
CC1=C(CNC(=O)CC2(CC(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300000674117	0	40	-1.0	-52.36	334.79	8.05	-44.31
CC1=C(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674118	0	42	-1.0	-57.90	344.04	6.80	-51.10
CC1=C(CNC(=O)C2=C(C(=O)[O-])CCCCC2)C2=CC=CC=C2O1	REAL300000674119	0	44	-1.0	-58.52	354.70	9.14	-49.38
CC1=C(CNC(=O)C2CCC(C(=O)[O-])S2)C2=CC=CC=C2O1	REAL300000674120	0	38	-1.0	-51.18	331.72	7.71	-43.47
CC1=C(CNC(=O)C23CC2(C(=O)[O-])CCC3)C2=CC=CC=C2O1	REAL300000674121	0	41	-1.0	-58.38	337.14	8.36	-50.02
CC1=C(CNC(=O)C2C3CCC(CC3)C2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674122	0	47	-1.0	-53.93	355.02	9.74	-44.19
CC1=C(CNC(=O)[C@@H]2CCCCC[C@@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300000674123	0	46	-1.0	-60.55	351.56	9.64	-50.91
CC1=C(CNC(=O)CC(C(=O)[O-])C2CCCCC2)C2=CC=CC=C2O1	REAL300000674124	0	49	-1.0	-61.88	379.91	9.63	-52.25
CC1=C(CNC(=O)C2=C(C(=O)[O-])CCCCCC2)C2=CC=CC=C2O1	REAL300000674125	0	47	-1.0	-67.86	360.01	10.77	-57.09
CC1=C(CNC(=O)CC(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300000674126	0	46	-1.0	-60.96	386.67	10.77	-50.19
CC1=C(CNC(=O)C(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C2=CC=CC=C2O1	REAL300000674127	0	46	-1.0	-50.85	401.15	10.66	-40.19
COC1=CC=C(C(CC(=O)[O-])C(=O)NCC2=C(C)OC3=CC=CC=C32)C=C1	REAL300000674128	0	47	-1.0	-48.39	389.26	8.78	-39.61
CC1=C(CNC(=O)C(CC(=O)[O-])C2=CC=C(Cl)C=C2)C2=CC=CC=C2O1	REAL300000674129	0	43	-1.0	-49.67	381.07	9.98	-39.69
CCC(CC)(CNC(=O)CC1(C(=O)[O-])CCCC1)C1=CC=C(OC)C(OC)=C1	REAL300000674130	0	60	-1.0	-63.22	436.44	10.07	-53.15
CCC(CC)(CNC(=O)CC(C)(C)CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674131	0	59	-1.0	-53.32	424.38	8.64	-44.68
CCC(CC)(CNC(=O)C1CC=CCC1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674132	0	58	-1.0	-65.87	430.77	9.38	-56.49
CCC(CC)(CNC(=O)CCC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674133	0	50	-1.0	-49.12	380.53	7.04	-42.08
CCC(CC)(CNC(=O)CSCC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674134	0	51	-1.0	-55.41	403.59	7.62	-47.79
CCC(CC)(CC(=O)NCC(CC)(CC)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300000674135	0	62	-1.0	-62.86	443.52	9.70	-53.16
CCC(CC)(CNC(=O)CC(C)(C)C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674136	0	56	-1.0	-48.38	411.78	8.13	-40.25
CCC(CC)(CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674137	0	58	-1.0	-45.42	423.94	9.23	-36.19
CCC(CC)(CNC(=O)C1CC=CCC1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674138	0	58	-1.0	-65.87	430.77	9.38	-56.49
CCC(CC)(CNC(=O)C1CCC(C(=O)[O-])O1)C1=CC=C(OC)C(OC)=C1	REAL300000674139	0	55	-1.0	-63.71	416.88	8.05	-55.66
CCC(CC)(CNC(=O)CC1(CC(=O)[O-])CCC1)C1=CC=C(OC)C(OC)=C1	REAL300000674140	0	60	-1.0	-50.96	437.04	9.28	-41.68
CCC(CC)(CNC(=O)C(C)OC(C)C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674141	0	57	-1.0	-65.44	434.69	8.52	-56.92
CCC(CC)(CNC(=O)CC1(C(=O)[O-])CCOC1)C1=CC=C(OC)C(OC)=C1	REAL300000674142	0	58	-1.0	-61.57	424.42	7.56	-54.01
CCC(CC)(CNC(=O)CC1(C(=O)[O-])CCC1)C1=CC=C(OC)C(OC)=C1	REAL300000674143	0	57	-1.0	-63.75	422.13	8.74	-55.01
CCC(CC)(CNC(=O)C(C)SC(C)C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674144	0	57	-1.0	-61.24	442.63	8.84	-52.40
CCC(CC)(CNC(=O)C1=C(C(=O)[O-])CCCC1)C1=CC=C(OC)C(OC)=C1	REAL300000674145	0	58	-1.0	-71.56	428.32	10.70	-60.86
CCC(CC)(CNC(=O)CC(C)CC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674146	0	56	-1.0	-55.93	414.63	8.26	-47.67
CCC(CC)(CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674147	0	60	-1.0	-63.34	430.87	9.21	-54.13
CCC(CC)(CNC(=O)C1CC(C(=O)[O-])C1)C1=CC=C(OC)C(OC)=C1	REAL300000674148	0	54	-1.0	-57.63	407.32	8.21	-49.42
CCC(CC)(CNC(=O)C1C(C(=O)[O-])C1(C)C)C1=CC=C(OC)C(OC)=C1	REAL300000674149	0	57	-1.0	-58.46	421.90	8.75	-49.71
CCC(CC)(CNC(=O)C1CCCC1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674150	0	57	-1.0	-57.86	419.02	9.10	-48.76
CCC(C)(CC(=O)[O-])C(=O)NCC(CC)(CC)C1=CC=C(OC)C(OC)=C1	REAL300000674151	0	59	-1.0	-49.67	425.56	8.47	-41.20
CCC(CC)(CNC(=O)C(C)(C)SCC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674152	0	57	-1.0	-57.16	435.68	8.73	-48.43
CCC(CC)(CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1=CC=C(OC)C(OC)=C1	REAL300000674153	0	60	-1.0	-60.78	440.04	9.42	-51.36
CCC(CC)(CNC(=O)C(CC(=O)[O-])CC(C)C)C1=CC=C(OC)C(OC)=C1	REAL300000674154	0	62	-1.0	-55.58	456.15	9.42	-46.16
CCC(CC)(CNC(=O)[C@H]1C[C@H]1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674155	0	51	-1.0	-55.85	390.03	7.65	-48.20
CCC(CC)(CNC(=O)C(C)(C)OCC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674156	0	57	-1.0	-62.16	425.89	8.24	-53.92
CCC(CC)(CNC(=O)CCCCCCC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674157	0	62	-1.0	-53.63	466.53	10.16	-43.47
CCC(CC)(CNC(=O)CCCCCC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674158	0	59	-1.0	-56.51	445.03	9.38	-47.13
CCC(CC)(CNC(=O)CC1(CC(=O)[O-])CC1)C1=CC=C(OC)C(OC)=C1	REAL300000674159	0	57	-1.0	-52.83	426.78	8.95	-43.88
CCC(CC)(CNC(=O)CC1(C(=O)[O-])CC1)C1=CC=C(OC)C(OC)=C1	REAL300000674160	0	54	-1.0	-66.32	404.95	9.19	-57.13
CCC(CC)(CNC(=O)C1CCC(C(=O)[O-])S1)C1=CC=C(OC)C(OC)=C1	REAL300000674161	0	55	-1.0	-54.98	424.48	8.62	-46.36
CCC(CC)(CNC(=O)C1=C(C(=O)[O-])CCC1)C1=CC=C(OC)C(OC)=C1	REAL300000674162	0	55	-1.0	-54.89	417.23	8.72	-46.17
CCC(CC)(CNC(=O)C12CC1(C(=O)[O-])CCC2)C1=CC=C(OC)C(OC)=C1	REAL300000674163	0	58	-1.0	-68.39	428.23	10.22	-58.17
CCC(CC)(CNC(=O)CCCCC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300000674164	0	56	-1.0	-52.15	423.53	8.60	-43.55
CC(CC(=O)NCC1=CC=C(C(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300000674165	0	43	-1.0	-56.70	354.95	10.40	-46.30
O=C([O-])C1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CCCCCC1	REAL300000674166	0	46	-1.0	-60.58	345.61	9.70	-50.88
O=C([O-])C1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CCCC1	REAL300000674167	0	40	-1.0	-60.25	330.33	8.98	-51.27
O=C([O-])C(CC(=O)NCC1=CC=C(C(F)F)C=C1)C1=CC=CC=C1	REAL300000674168	0	40	-1.0	-57.31	345.62	10.24	-47.07
O=C([O-])C1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CCCCC1	REAL300000674169	0	43	-1.0	-58.41	338.60	9.27	-49.14
O=C([O-])C1CC=CCC1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674170	0	38	-1.0	-60.69	324.69	8.27	-52.42
O=C([O-])CC1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CCCCC1	REAL300000674171	0	46	-1.0	-45.09	351.02	9.08	-36.01
O=C([O-])CC1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CCCC1	REAL300000674172	0	43	-1.0	-50.41	344.61	8.76	-41.65
CCC(CC)(CC(=O)NCC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300000674173	0	42	-1.0	-59.98	337.42	8.61	-51.37
O=C([O-])C1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CC2=CC=CC=C2C1	REAL300000674174	0	44	-1.0	-57.26	366.13	11.16	-46.10
CC(CC(=O)[O-])(C(=O)NCC1=CC=C(C(F)F)C=C1)C1CCCCC1	REAL300000674175	0	49	-1.0	-53.76	371.49	10.12	-43.64
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674176	0	38	-1.0	-43.30	317.74	8.14	-35.16
O=C([O-])C1CC=CCC1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674177	0	38	-1.0	-60.69	324.69	8.27	-52.42
O=C([O-])C1C2C=CC(CC2)C1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674178	0	42	-1.0	-51.86	340.76	9.22	-42.64
CC(CC(=O)NCC1=CC=C(C(F)F)C=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000674179	0	43	-1.0	-54.46	371.68	10.91	-43.55
O=C([O-])CC1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CCC1	REAL300000674180	0	40	-1.0	-49.01	328.91	8.16	-40.85
CC(OC(C)C(=O)NCC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300000674181	0	37	-1.0	-56.79	328.54	7.42	-49.37
O=C([O-])C1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CCOC1	REAL300000674182	0	38	-1.0	-57.23	318.32	6.47	-50.76
COC1=CC=C(N(CC(=O)[O-])CC(=O)NCC2=CC=C(C(F)F)C=C2)C=C1	REAL300000674183	0	46	-1.0	-53.11	395.55	8.92	-44.19
O=C([O-])CN(CC(=O)NCC1=CC=C(C(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300000674184	0	42	-1.0	-49.38	382.77	10.15	-39.23
CC(SC(C)C(=O)NCC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300000674185	0	37	-1.0	-54.93	334.21	7.68	-47.25
O=C([O-])C1=C(C(=O)NCC2=CC=C(C(F)F)C=C2)CCCC1	REAL300000674186	0	38	-1.0	-65.02	320.23	9.54	-55.48
O=C([O-])C1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CCCC2=CC=CC=C21	REAL300000674187	0	47	-1.0	-62.09	378.26	10.99	-51.10
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674188	0	34	-1.0	-56.65	320.31	9.02	-47.63
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674189	0	40	-1.0	-57.59	321.90	8.75	-48.84
CC1=CC=C(C)C(C(=O)NCC2=CC=C(C(F)F)C=C2)=C1C(=O)[O-]	REAL300000674190	0	40	-1.0	-57.33	343.08	9.25	-48.08
CC(CC(=O)[O-])(C(=O)NCC1=CC=C(C(F)F)C=C1)C1=CSC=C1	REAL300000674191	0	40	-1.0	-54.50	347.84	9.11	-45.39
O=C([O-])CC(C(=O)NCC1=CC=C(C(F)F)C=C1)C1=C(F)C=CC=C1Cl	REAL300000674192	0	40	-1.0	-48.97	356.95	9.51	-39.46
CC(C)CC(C)(CC(=O)[O-])C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674193	0	45	-1.0	-46.53	346.40	9.47	-37.06
CCC(CC(=O)[O-])(C(=O)NCC1=CC=C(C(F)F)C=C1)C1=CC=C(C)C=C1	REAL300000674194	0	49	-1.0	-53.88	388.99	11.19	-42.69
CC(CC(=O)[O-])(C(=O)NCC1=CC=C(C(F)F)C=C1)C1=CC=C(F)C=C1	REAL300000674195	0	43	-1.0	-50.69	360.52	10.07	-40.62
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2=CC=C(C(F)F)C=C2)CC1	REAL300000674196	0	46	0.0	-64.66	357.82	9.07	-55.59
CC(C)(SCC(=O)[O-])C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674197	0	37	-1.0	-54.01	329.58	7.63	-46.38
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674198	0	39	-1.0	-48.38	321.49	8.71	-39.67
O=C([O-])C1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CCC2=CC=CC=C21	REAL300000674199	0	44	-1.0	-60.13	370.22	10.36	-49.77
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674200	0	41	-1.0	-62.59	357.82	10.78	-51.81
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2=CC=C(C(F)F)C=C2)C1	REAL300000674201	0	40	-1.0	-56.11	331.95	8.26	-47.85
O=C([O-])C1CC1(C(=O)NCC1=CC=C(C(F)F)C=C1)C1=CC=CC=C1	REAL300000674202	0	41	-1.0	-59.59	356.43	9.90	-49.69
O=C([O-])C1(CC(=O)NCC2=CC=C(C(F)F)C=C2)CC(F)(F)C1(F)F	REAL300000674203	0	37	-1.0	-48.41	336.46	7.85	-40.56
CC(C)CC(CC(=O)[O-])C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674204	0	42	-1.0	-51.41	343.07	8.89	-42.52
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674205	0	42	-1.0	-58.18	338.93	9.19	-48.99
CC1=CC=C(C(CC(=O)NCC2=CC=C(C(F)F)C=C2)C(=O)[O-])C=C1	REAL300000674206	0	43	-1.0	-57.64	367.04	10.93	-46.71
CC(C)(OCC(=O)[O-])C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674207	0	37	-1.0	-58.60	319.79	7.14	-51.46
CC1=C(C(=O)[O-])C(C(=O)NCC2=CC=C(C(F)F)C=C2)=C(C)S1	REAL300000674208	0	37	-1.0	-57.59	338.29	8.16	-49.43
O=C([O-])CCCCCCC(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674209	0	42	-1.0	-51.26	360.42	9.07	-42.19
CCC1CC(C(=O)[O-])C(C(=O)NCC2=CC=C(C(F)F)C=C2)C1	REAL300000674210	0	43	-1.0	-55.68	357.07	8.98	-46.70
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674211	0	39	-1.0	-57.85	329.29	6.61	-51.24
O=C([O-])C1=C(C(=O)NCC2=CC=C(C(F)F)C=C2)CCCCC1	REAL300000674212	0	41	-1.0	-65.55	336.15	9.93	-55.62
O=C([O-])C1CCC(C(=O)NCC2=CC=C(C(F)F)C=C2)S1	REAL300000674213	0	35	-1.0	-51.76	316.41	7.47	-44.29
O=C([O-])C12CC1(C(=O)NCC1=CC=C(C(F)F)C=C1)CCC2	REAL300000674214	0	38	-1.0	-63.55	321.44	9.08	-54.47
O=C([O-])C1C2CCC(CC2)C1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674215	0	44	-1.0	-47.13	340.90	9.55	-37.58
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674216	0	43	-1.0	-60.19	338.74	9.41	-50.78
O=C([O-])C(CC(=O)NCC1=CC=C(C(F)F)C=C1)C1CCCCC1	REAL300000674217	0	46	-1.0	-56.85	366.09	10.16	-46.69
O=C([O-])C1=C(C(=O)NCC2=CC=C(C(F)F)C=C2)CCCCCC1	REAL300000674218	0	44	-1.0	-67.54	345.50	10.57	-56.97
O=C([O-])C(CC(=O)NCC1=CC=C(C(F)F)C=C1)CC1=CC=CC=C1	REAL300000674219	0	43	-1.0	-56.31	362.18	10.84	-45.47
O=C([O-])CC(CC1=CC=C(Cl)C=C1)C(=O)NCC1=CC=C(C(F)F)C=C1	REAL300000674220	0	43	-1.0	-53.51	387.04	10.47	-43.04
COC1=CC=C(C(CC(=O)[O-])C(=O)NCC2=CC=C(C(F)F)C=C2)C=C1	REAL300000674221	0	44	-1.0	-47.45	374.57	8.52	-38.93
O=C([O-])CC(C(=O)NCC1=CC=C(C(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300000674222	0	40	-1.0	-44.02	361.82	9.74	-34.28
CN1C=CC(CCNC(=O)CC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300000674223	0	43	-1.0	-67.59	350.86	7.83	-59.76
CN1C=CC(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)=N1	REAL300000674224	0	46	-1.0	-71.24	335.83	7.44	-63.80
CN1C=CC(CCNC(=O)CC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300000674225	0	40	-1.0	-65.00	339.30	7.63	-57.37
CN1C=CC(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)=N1	REAL300000674226	0	46	-1.0	-53.79	343.23	6.70	-47.09
CN1C=CC(CCNC(=O)CC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300000674227	0	44	-1.0	-68.22	359.78	8.66	-59.56
CN1C=CC(CCNC(=O)C(C)(CC(=O)[O-])C2CCCCC2)=N1	REAL300000674228	0	49	-1.0	-48.77	360.89	7.35	-41.42
CN1C=CC(CCNC(=O)C2C3C=CC(CC3)C2C(=O)[O-])=N1	REAL300000674229	0	42	-1.0	-55.70	321.90	7.66	-48.04
CN1C=CC(CCNC(=O)CC(C)(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300000674230	0	43	-1.0	-65.02	367.58	8.35	-56.67
CN1C=CC(CCNC(=O)CC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300000674231	0	43	-1.0	-59.81	382.77	8.81	-51.00
COC1=CC=C(N(CC(=O)[O-])CC(=O)NCCC2=NN(C)C=C2)C=C1	REAL300000674232	0	46	-1.0	-58.32	385.70	6.46	-51.86
CN1C=CC(CCNC(=O)CN(CC(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300000674233	0	42	-1.0	-54.50	372.92	7.69	-46.81
CN1C=CC(CCNC(=O)CC2(C(=O)[O-])CCCC3=CC=CC=C32)=N1	REAL300000674234	0	47	-1.0	-69.63	368.42	8.53	-61.10
CN1C=CC(CCNC(=O)C2=CC(F)=C(F)C=C2C(=O)[O-])=N1	REAL300000674235	0	34	-1.0	-64.47	310.46	6.56	-57.91
CC1=CC=C(C)C(C(=O)NCCC2=NN(C)C=C2)=C1C(=O)[O-]	REAL300000674236	0	40	-1.0	-62.93	335.23	6.85	-56.08
CN1C=CC(CCNC(=O)C(C)(CC(=O)[O-])C2=CSC=C2)=N1	REAL300000674237	0	40	-1.0	-60.66	338.00	6.66	-54.00
CN1C=CC(CCNC(=O)C(CC(=O)[O-])C2=C(F)C=CC=C2Cl)=N1	REAL300000674238	0	40	-1.0	-52.57	350.61	7.20	-45.37
CCC(CC(=O)[O-])(C(=O)NCCC1=NN(C)C=C1)C1=CC=C(C)C=C1	REAL300000674239	0	49	-1.0	-62.50	380.35	8.69	-53.81
CN1C=CC(CCNC(=O)C(C)(CC(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300000674240	0	43	-1.0	-56.40	352.67	7.67	-48.73
CN1C=CC(CCNC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=N1	REAL300000674241	0	46	0.0	-67.88	349.97	6.68	-61.20
CN1C=CC(CCNC(=O)CC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300000674242	0	44	-1.0	-67.54	360.37	7.90	-59.64
CN1C=CC(CCNC(=O)[C@H]2C[C@]2(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300000674243	0	41	-1.0	-74.79	346.59	8.19	-66.60
CN1C=CC(CCNC(=O)C2(C3=CC=CC=C3)CC2C(=O)[O-])=N1	REAL300000674244	0	41	-1.0	-67.95	351.17	7.64	-60.31
CN1C=CC(CCNC(=O)CC2(C(=O)[O-])CC(F)(F)C2(F)F)=N1	REAL300000674245	0	37	-1.0	-56.33	328.23	5.44	-50.89
CN1C=CC(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])=N1	REAL300000674246	0	42	-1.0	-61.68	329.28	6.51	-55.17
CC1=CC=C(C(CC(=O)NCCC2=NN(C)C=C2)C(=O)[O-])C=C1	REAL300000674247	0	43	-1.0	-65.01	357.19	8.47	-56.54
CC1=C(C(=O)[O-])C(C(=O)NCCC2=NN(C)C=C2)=C(C)S1	REAL300000674248	0	37	-1.0	-62.69	330.43	5.77	-56.92
CN1C=CC(CCNC(=O)C23CCC2(C(=O)[O-])C[N@H+](CC2=CC=CC=C2)C3)=N1	REAL300000674249	0	54	0.0	-75.44	424.21	9.08	-66.36
CN1C=CC(CCNC(=O)C23CCC2(C(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C3)=N1	REAL300000674249	1	54	0.0	-77.27	423.22	9.26	-68.01
CN1C=CC(CCNC(=O)C2C3CCC(CC3)C2C(=O)[O-])=N1	REAL300000674250	0	44	-1.0	-53.73	331.06	7.09	-46.64
CN1C=CC(CCNC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300000674251	0	53	0.0	-65.83	418.89	9.87	-55.96
CN1C=CC(CCNC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300000674251	1	53	0.0	-65.51	418.44	9.88	-55.63
CN1C=CC(CCNC(=O)CC(C(=O)[O-])C2CCCCC2)=N1	REAL300000674252	0	46	-1.0	-64.46	356.24	7.70	-56.76
CN1C=CC(CCNC(=O)C(CC(=O)[O-])C2=CC=C(Cl)C=C2Cl)=N1	REAL300000674253	0	40	-1.0	-47.93	365.37	7.70	-40.23
CN1C=CC(CCNC(=O)C2=C(C(=O)[O-])CCCCCC2)=N1	REAL300000674254	0	44	-1.0	-76.09	336.02	8.12	-67.97
CN1C=CC(CCNC(=O)CC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300000674255	0	43	-1.0	-69.64	362.71	8.13	-61.51
CN1C=CC(CCNC(=O)C(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300000674256	0	43	-1.0	-59.50	370.24	8.52	-50.98
COC1=CC=C(C(CC(=O)[O-])C(=O)NCCC2=NN(C)C=C2)C=C1	REAL300000674257	0	44	-1.0	-52.20	366.16	6.16	-46.04
CN1C=CC(CCNC(=O)C(CC(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300000674258	0	40	-1.0	-48.71	353.41	7.38	-41.33
O=C([O-])C1(CC(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CCCC1	REAL300000674259	0	49	-1.0	-79.59	393.67	6.64	-72.95
CC(C)(CC(=O)[O-])CC(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674260	0	48	-1.0	-64.63	380.71	5.12	-59.51
O=C([O-])C1(CC(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CCCCC1	REAL300000674261	0	52	-1.0	-80.30	403.01	6.90	-73.40
O=C([O-])C1CC=CCC1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674262	0	47	-1.0	-75.23	388.05	5.93	-69.30
O=C([O-])CCC(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674263	0	39	-1.0	-62.58	336.86	3.51	-59.07
O=C([O-])CC1(CC(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CCCC1	REAL300000674264	0	52	-1.0	-62.86	406.27	6.31	-56.55
O=C([O-])CSCC(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674265	0	40	-1.0	-66.56	359.72	4.08	-62.48
CCC(CC)(CC(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1)C(=O)[O-]	REAL300000674266	0	51	-1.0	-70.77	395.15	6.22	-64.55
CC(C)(CC(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1)C(=O)[O-]	REAL300000674267	0	45	-1.0	-62.10	367.53	4.61	-57.49
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674268	0	47	-1.0	-52.41	381.19	5.78	-46.63
O=C([O-])C1CC=CCC1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674269	0	47	-1.0	-75.23	388.05	5.93	-69.30
O=C([O-])C1CCC(C(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)O1	REAL300000674270	0	44	-1.0	-75.01	374.13	4.64	-70.37
O=C([O-])CC1(CC(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CCC1	REAL300000674271	0	49	-1.0	-62.54	393.37	5.75	-56.79
CC(OC(C)C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1)C(=O)[O-]	REAL300000674272	0	46	-1.0	-75.66	391.01	4.99	-70.67
O=C(CC1(C(=O)[O-])CCOC1)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674273	0	47	-1.0	-72.19	380.75	4.04	-68.15
O=C([O-])C1(CC(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CCC1	REAL300000674274	0	46	-1.0	-80.43	376.42	6.03	-74.40
CC(SC(C)C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1)C(=O)[O-]	REAL300000674275	0	46	-1.0	-69.24	397.93	5.29	-63.95
O=C([O-])C1=C(C(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CCCC1	REAL300000674276	0	47	-1.0	-68.02	386.72	6.48	-61.54
CC(CC(=O)[O-])CC(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674277	0	45	-1.0	-67.55	370.96	4.74	-62.81
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674278	0	49	-1.0	-72.64	388.12	5.77	-66.87
O=C([O-])C1CC(C(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)C1	REAL300000674279	0	43	-1.0	-70.95	364.56	4.78	-66.17
CC1(C)C(C(=O)[O-])C1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674280	0	46	-1.0	-64.55	382.02	5.47	-59.08
O=C([O-])C1CCCC1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674281	0	46	-1.0	-69.93	376.28	5.66	-64.27
CC(C)CC(C)(CC(=O)[O-])C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674282	0	54	-1.0	-74.90	408.83	7.03	-67.87
CCC(C)(CC(=O)[O-])C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674283	0	48	-1.0	-62.34	381.89	4.94	-57.40
CC(C)(SCC(=O)[O-])C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674284	0	46	-1.0	-67.42	392.02	5.20	-62.22
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674285	0	48	-1.0	-64.95	384.71	6.42	-58.53
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)C1	REAL300000674286	0	49	-1.0	-65.84	396.38	5.90	-59.94
CC(C)CC(CC(=O)[O-])C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674287	0	51	-1.0	-60.04	408.72	6.07	-53.97
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674288	0	40	-1.0	-81.62	347.31	4.21	-77.41
CC(C)(OCC(=O)[O-])C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674289	0	46	-1.0	-72.65	382.22	4.71	-67.94
O=C([O-])CCCCCCC(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674290	0	51	-1.0	-64.35	422.86	6.64	-57.71
CCC1CC(C(=O)[O-])C(C(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)C1	REAL300000674291	0	52	-1.0	-67.31	415.84	6.56	-60.75
O=C([O-])CCCCCC(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674292	0	48	-1.0	-67.00	401.36	5.86	-61.14
O=C([O-])CC1(CC(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CC1	REAL300000674293	0	46	-1.0	-63.88	383.11	5.43	-58.45
O=C([O-])C1(CC(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CC1	REAL300000674294	0	43	-1.0	-81.47	361.27	5.67	-75.80
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674295	0	48	-1.0	-67.05	392.75	4.16	-62.89
O=C([O-])C1=C(C(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CCCCC1	REAL300000674296	0	50	-1.0	-67.94	403.30	6.59	-61.35
O=C([O-])C1CCC(C(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)S1	REAL300000674297	0	44	-1.0	-67.04	381.82	5.20	-61.84
O=C([O-])C1=C(C(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)CCC1	REAL300000674298	0	44	-1.0	-80.56	373.21	5.44	-75.12
O=C([O-])C12CC1(C(=O)NCC1=CC=CC(N3CCCS3(=O)=O)=C1)CCC2	REAL300000674299	0	47	-1.0	-73.39	386.32	5.76	-67.63
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674300	0	52	-1.0	-70.84	400.74	7.05	-63.79
O=C([O-])CCCCC(=O)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300000674301	0	45	-1.0	-63.71	379.86	5.08	-58.63
CC(C)N1N=CC2=C1C(NC(=O)CC(C)(C(=O)[O-])C1=CC=CC=C1)CCC2	REAL300000674302	0	53	-1.0	-58.70	408.26	11.05	-47.65
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CCCCCC1)CCC2	REAL300000674303	0	56	-1.0	-60.08	395.13	10.51	-49.57
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CCCC1)CCC2	REAL300000674304	0	50	-1.0	-58.12	377.93	9.73	-48.39
CC(C)N1N=CC2=C1C(NC(=O)CC(C)(C)CC(=O)[O-])CCC2	REAL300000674305	0	49	-1.0	-49.04	365.83	8.33	-40.71
CC(C)N1N=CC2=C1C(NC(=O)CC(C(=O)[O-])C1=CC=CC=C1)CCC2	REAL300000674306	0	50	-1.0	-56.74	396.70	10.83	-45.91
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CCCCC1)CCC2	REAL300000674307	0	53	-1.0	-57.43	388.13	10.08	-47.35
CC(C)N1N=CC2=C1C(NC(=O)C1CC=CCC1C(=O)[O-])CCC2	REAL300000674308	0	48	-1.0	-54.87	374.91	8.87	-46.00
CC(C)N1N=CC2=C1C(NC(=O)CC1(CC(=O)[O-])CCCCC1)CCC2	REAL300000674309	0	56	-1.0	-55.09	400.56	9.93	-45.16
CC(C)N1N=CC2=C1C(NC(=O)CC1(CC(=O)[O-])CCCC1)CCC2	REAL300000674310	0	53	-1.0	-46.58	391.41	9.52	-37.06
CC(C)N1N=CC2=C1C(NC(=O)CSCC(=O)[O-])CCC2	REAL300000674311	0	41	-1.0	-50.89	344.84	7.29	-43.60
CCC(CC)(CC(=O)NC1CCCC2=C1N(C(C)C)N=C2)C(=O)[O-]	REAL300000674312	0	52	-1.0	-54.96	380.26	9.42	-45.54
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CC3=CC=CC=C3C1)CCC2	REAL300000674313	0	54	-1.0	-57.57	418.14	11.45	-46.12
CC(C)N1N=CC2=C1C(NC(=O)C(C)(CC(=O)[O-])C1CCCCC1)CCC2	REAL300000674314	0	59	-1.0	-54.03	421.58	11.04	-42.99
CC(C)N1N=CC2=C1C(NC(=O)CC(C)(C)C(=O)[O-])CCC2	REAL300000674315	0	46	-1.0	-44.90	352.65	7.82	-37.08
CC(C)N1N=CC2=C1C(NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])CCC2	REAL300000674316	0	48	-1.0	-43.38	359.27	8.58	-34.80
CC(C)N1N=CC2=C1C(NC(=O)C1CC=CCC1C(=O)[O-])CCC2	REAL300000674317	0	48	-1.0	-54.87	374.91	8.87	-46.00
CC(C)N1N=CC2=C1C(NC(=O)C1CCC(C(=O)[O-])O1)CCC2	REAL300000674318	0	45	-1.0	-55.45	358.34	7.78	-47.67
CC(C)N1N=CC2=C1C(NC(=O)C1C3C=CC(CC3)C1C(=O)[O-])CCC2	REAL300000674319	0	52	-1.0	-53.70	381.97	9.77	-43.93
CC(C)N1N=CC2=C1C(NC(=O)CC1(CC(=O)[O-])CCC1)CCC2	REAL300000674320	0	50	-1.0	-49.09	379.14	9.01	-40.08
CC(C)N1N=CC2=C1C(NC(=O)C(C)OC(C)C(=O)[O-])CCC2	REAL300000674321	0	47	-1.0	-57.62	371.32	8.12	-49.50
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CCOC1)CCC2	REAL300000674322	0	48	-1.0	-58.05	369.09	6.94	-51.11
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CCC1)CCC2	REAL300000674323	0	47	-1.0	-58.92	361.33	9.23	-49.69
CC(C)N1N=CC2=C1C(NC(=O)C(C)SC(C)C(=O)[O-])CCC2	REAL300000674324	0	47	-1.0	-45.52	383.89	8.53	-36.99
CC(C)N1N=CC2=C1C(NC(=O)C1=C(C(=O)[O-])CCCC1)CCC2	REAL300000674325	0	48	-1.0	-52.48	368.80	9.54	-42.94
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CCCC3=CC=CC=C31)CCC2	REAL300000674326	0	57	-1.0	-56.63	422.99	12.19	-44.44
CC(C)N1N=CC2=C1C(NC(=O)C1=CC(F)=C(F)C=C1C(=O)[O-])CCC2	REAL300000674327	0	44	-1.0	-54.11	367.87	9.80	-44.31
CC(C)N1N=CC2=C1C(NC(=O)CC(C)CC(=O)[O-])CCC2	REAL300000674328	0	46	-1.0	-51.39	356.09	7.95	-43.44
CC(C)N1N=CC2=C1C(NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CCC2	REAL300000674329	0	50	-1.0	-58.40	369.95	8.81	-49.59
CC(C)N1N=CC2=C1C(NC(=O)C1CC(C(=O)[O-])C1)CCC2	REAL300000674330	0	44	-1.0	-52.36	348.76	7.88	-44.48
CC1=CC=C(C)C(C(=O)NC2CCCC3=C2N(C(C)C)N=C3)=C1C(=O)[O-]	REAL300000674331	0	50	-1.0	-51.90	386.94	9.88	-42.02
CC(C)N1N=CC2=C1C(NC(=O)C1C(C(=O)[O-])C1(C)C)CCC2	REAL300000674332	0	47	-1.0	-44.67	366.23	8.58	-36.09
CC(C)N1N=CC2=C1C(NC(=O)C1CCCC1C(=O)[O-])CCC2	REAL300000674333	0	47	-1.0	-53.64	360.50	8.69	-44.95
CC(C)N1N=CC2=C1C(NC(=O)C(C)(CC(=O)[O-])C1=CSC=C1)CCC2	REAL300000674334	0	50	-1.0	-51.40	395.42	9.88	-41.52
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1CCCC2=C1N(C(C)C)N=C2	REAL300000674335	0	55	-1.0	-43.03	395.74	10.15	-32.88
CCC(CC(=O)[O-])(C(=O)NC1CCCC2=C1N(C(C)C)N=C2)C1=CC=C(C)C=C1	REAL300000674336	0	59	-1.0	-51.32	436.45	11.92	-39.40
CC(C)N1N=CC2=C1C(NC(=O)C(C)(CC(=O)[O-])C1=CC=C(F)C=C1)CCC2	REAL300000674337	0	53	-1.0	-48.00	409.23	10.87	-37.13
CCC(C)(CC(=O)[O-])C(=O)NC1CCCC2=C1N(C(C)C)N=C2	REAL300000674338	0	49	-1.0	-45.17	367.02	8.15	-37.02
CC(C)N1N=CC2=C1C(NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1)CCC2	REAL300000674339	0	56	0.0	-66.44	402.51	9.71	-56.73
CC(C)N1N=CC2=C1C(NC(=O)C(C)(C)SCC(=O)[O-])CCC2	REAL300000674340	0	47	-1.0	-51.81	377.14	8.41	-43.40
CC(C)N1N=CC2=C1C(NC(=O)[C@@H]1[C@@H]3C=C[C@@H](C3)[C@@H]1C(=O)[O-])CCC2	REAL300000674341	0	49	-1.0	-48.71	368.71	9.44	-39.27
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CCC3=CC=CC=C31)CCC2	REAL300000674342	0	54	-1.0	-59.17	416.36	11.80	-47.37
CC(C)N1N=CC2=C1C(NC(=O)[C@H]1C[C@]1(C(=O)[O-])C1=CC=CC=C1)CCC2	REAL300000674343	0	51	-1.0	-60.45	401.09	11.41	-49.04
CC(C)N1N=CC2=C1C(NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)CCC2	REAL300000674344	0	50	-1.0	-55.41	381.46	9.09	-46.32
CC(C)N1N=CC2=C1C(NC(=O)C1(C3=CC=CC=C3)CC1C(=O)[O-])CCC2	REAL300000674345	0	51	-1.0	-52.13	409.64	10.67	-41.46
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CC(F)(F)C1(F)F)CCC2	REAL300000674346	0	47	-1.0	-53.86	381.26	9.44	-44.42
CC(C)CC(CC(=O)[O-])C(=O)NC1CCCC2=C1N(C(C)C)N=C2	REAL300000674347	0	52	-1.0	-51.87	390.89	9.72	-42.15
CC(C)N1N=CC2=C1C(NC(=O)[C@@H]1[C@@H]3C=C[C@@H](C3)[C@]1(C)C(=O)[O-])CCC2	REAL300000674348	0	52	-1.0	-56.12	384.07	9.90	-46.22
CC1=CC=C(C(CC(=O)NC2CCCC3=C2N(C(C)C)N=C3)C(=O)[O-])C=C1	REAL300000674349	0	53	-1.0	-56.95	417.47	11.17	-45.78
CC(C)N1N=CC2=C1C(NC(=O)C(C)(C)OCC(=O)[O-])CCC2	REAL300000674350	0	47	-1.0	-56.42	367.34	7.91	-48.51
CC1=C(C(=O)[O-])C(C(=O)NC2CCCC3=C2N(C(C)C)N=C3)=C(C)S1	REAL300000674351	0	47	-1.0	-56.55	382.67	8.82	-47.73
CC(C)N1N=CC2=C1C(NC(=O)CCCCCCC(=O)[O-])CCC2	REAL300000674352	0	52	-1.0	-50.21	407.98	9.84	-40.37
CCC1CC(C(=O)[O-])C(C(=O)NC2CCCC3=C2N(C(C)C)N=C3)C1	REAL300000674353	0	53	-1.0	-54.04	403.77	9.70	-44.34
CC(C)N1N=CC2=C1C(NC(=O)CCCCCC(=O)[O-])CCC2	REAL300000674354	0	49	-1.0	-52.56	386.48	9.06	-43.50
CC(C)N1N=CC2=C1C(NC(=O)CC1(CC(=O)[O-])CC1)CCC2	REAL300000674355	0	47	-1.0	-49.16	368.23	8.64	-40.52
CC(C)N1N=CC2=C1C(NC(=O)CC1(C(=O)[O-])CC1)CCC2	REAL300000674356	0	44	-1.0	-60.78	346.42	8.86	-51.92
CC(C)N1N=CC2=C1C(NC(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])CCC2	REAL300000674357	0	49	-1.0	-58.35	371.30	7.60	-50.75
CC(C)N1N=CC2=C1C(NC(=O)C1=C(C(=O)[O-])CCCCC1)CCC2	REAL300000674358	0	51	-1.0	-65.29	385.73	10.76	-54.53
CC(C)N1N=CC2=C1C(NC(=O)C1CCC(C(=O)[O-])S1)CCC2	REAL300000674359	0	45	-1.0	-52.39	365.98	8.31	-44.08
CC(C)N1N=CC2=C1C(NC(=O)C1=C(C(=O)[O-])CCC1)CCC2	REAL300000674360	0	45	-1.0	-52.24	358.68	8.41	-43.83
CC(C)N1N=CC2=C1C(NC(=O)C13CC1(C(=O)[O-])CCC3)CCC2	REAL300000674361	0	48	-1.0	-62.45	369.72	9.86	-52.59
CC(C)N1N=CC2=C1C(NC(=O)C1C3CCC(CC3)C1C(=O)[O-])CCC2	REAL300000674362	0	54	-1.0	-44.53	395.73	9.89	-34.64
CC(C)N1N=CC2=C1C(NC(=O)[C@@H]1CCCCC[C@@H]1C(=O)[O-])CCC2	REAL300000674363	0	53	-1.0	-51.64	388.48	9.98	-41.66
CC(C)N1N=CC2=C1C(NC(=O)CC(C(=O)[O-])C1CCCCC1)CCC2	REAL300000674364	0	56	-1.0	-56.29	413.62	10.91	-45.38
CC(C)N1N=CC2=C1C(NC(=O)CCCCC(=O)[O-])CCC2	REAL300000674365	0	46	-1.0	-48.52	364.99	8.28	-40.24
CC(C)N1N=CC2=C1C(NC(=O)C1=C(C(=O)[O-])CCCCCC1)CCC2	REAL300000674366	0	54	-1.0	-65.83	391.11	11.23	-54.60
CC(C)N1N=CC2=C1C(NC(=O)CC(CC1=CC=CC=C1)C(=O)[O-])CCC2	REAL300000674367	0	53	-1.0	-55.57	413.44	11.45	-44.12
COC1=CC=C(C(CC(=O)[O-])C(=O)NC2CCCC3=C2N(C(C)C)N=C3)C=C1	REAL300000674368	0	54	-1.0	-45.44	423.25	9.38	-36.06
CC(C)N1N=CC2=C1C(NC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1)CCC2	REAL300000674369	0	50	-1.0	-41.96	410.49	10.60	-31.36
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CCC(=O)[O-]	REAL300000674370	0	41	-1.0	-58.18	362.36	8.28	-49.90
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CSCC(=O)[O-]	REAL300000674371	0	42	-1.0	-65.33	385.22	8.85	-56.48
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CC(C)(C)C(=O)[O-]	REAL300000674372	0	47	-1.0	-56.52	393.61	9.38	-47.14
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CC(C)CC(=O)[O-]	REAL300000674373	0	47	-1.0	-65.88	396.46	9.51	-56.37
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)C1CC(C(=O)[O-])C1	REAL300000674374	0	45	-1.0	-61.64	385.83	9.42	-52.22
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300000674375	0	42	-1.0	-63.34	369.35	9.06	-54.28
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CC1(C(=O)[O-])CC1	REAL300000674376	0	45	-1.0	-80.69	385.90	10.34	-70.35
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)C1=C(C(=O)[O-])CCC1	REAL300000674377	0	46	-1.0	-82.68	397.33	10.15	-72.53
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CCCCC(=O)[O-]	REAL300000674378	0	47	-1.0	-60.92	405.36	9.85	-51.07
COC1=CC(C#N)=CC=C1NC(=O)CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300000674379	0	42	-1.0	-58.32	349.20	8.98	-49.34
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CCCCCC1	REAL300000674380	0	45	-1.0	-58.43	336.92	8.38	-50.05
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CCCC1	REAL300000674381	0	39	-1.0	-56.65	318.83	7.61	-49.04
COC1=CC(C#N)=CC=C1NC(=O)CC(C(=O)[O-])C1=CC=CC=C1	REAL300000674382	0	39	-1.0	-53.99	334.96	8.86	-45.13
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CCCCC1	REAL300000674383	0	42	-1.0	-56.54	329.08	7.98	-48.56
COC1=CC(C#N)=CC=C1NC(=O)C1CC=CCC1C(=O)[O-]	REAL300000674384	0	37	-1.0	-58.42	313.76	7.01	-51.41
COC1=CC(C#N)=CC=C1NC(=O)CC1(CC(=O)[O-])CCCCC1	REAL300000674385	0	45	-1.0	-48.16	341.63	7.92	-40.24
COC1=CC(C#N)=CC=C1NC(=O)CC1(CC(=O)[O-])CCCC1	REAL300000674386	0	42	-1.0	-48.35	332.73	7.49	-40.86
CCC(CC)(CC(=O)NC1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300000674387	0	41	-1.0	-56.05	324.72	7.38	-48.67
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300000674388	0	43	-1.0	-56.92	358.13	9.77	-47.15
COC1=CC(C#N)=CC=C1NC(=O)C(C)(CC(=O)[O-])C1CCCCC1	REAL300000674389	0	48	-1.0	-52.30	362.36	8.92	-43.38
COC1=CC(C#N)=CC=C1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300000674390	0	37	-1.0	-43.14	307.28	6.91	-36.23
COC1=CC(C#N)=CC=C1NC(=O)C1CC=CCC1C(=O)[O-]	REAL300000674391	0	37	-1.0	-58.42	313.76	7.01	-51.41
COC1=CC(C#N)=CC=C1NC(=O)C1C2C=CC(CC2)C1C(=O)[O-]	REAL300000674392	0	41	-1.0	-49.90	329.25	7.88	-42.02
COC1=CC(C#N)=CC=C1NC(=O)CC(C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000674393	0	42	-1.0	-52.82	364.54	9.45	-43.37
COC1=CC(C#N)=CC=C1NC(=O)CC1(CC(=O)[O-])CCC1	REAL300000674394	0	39	-1.0	-48.23	319.76	6.96	-41.27
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CCOC1	REAL300000674395	0	37	-1.0	-55.74	307.63	5.09	-50.65
COC1=CC=C(N(CC(=O)[O-])CC(=O)NC2=CC=C(C#N)C=C2OC)C=C1	REAL300000674396	0	45	-1.0	-49.97	383.58	7.68	-42.29
COC1=CC(C#N)=CC=C1NC(=O)CN(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000674397	0	41	-1.0	-46.58	370.81	8.91	-37.67
COC1=CC(C#N)=CC=C1NC(=O)C(C)SC(C)C(=O)[O-]	REAL300000674398	0	36	-1.0	-52.71	322.37	6.43	-46.28
COC1=CC(C#N)=CC=C1NC(=O)C1=C(C(=O)[O-])CCCC1	REAL300000674399	0	37	-1.0	-50.24	313.53	7.49	-42.75
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CCCC2=CC=CC=C21	REAL300000674400	0	46	-1.0	-60.36	367.51	9.53	-50.83
COC1=CC(C#N)=CC=C1NC(=O)C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000674401	0	33	-1.0	-54.48	309.58	7.71	-46.77
COC1=CC(C#N)=CC=C1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	REAL300000674402	0	39	-1.0	-57.03	313.03	6.88	-50.15
COC1=CC(C#N)=CC=C1NC(=O)C1=C(C)C=CC(C)=C1C(=O)[O-]	REAL300000674403	0	39	-1.0	-54.49	332.99	7.82	-46.67
COC1=CC(C#N)=CC=C1NC(=O)C(C)(CC(=O)[O-])C1=CSC=C1	REAL300000674404	0	39	-1.0	-50.29	336.40	7.78	-42.51
COC1=CC(C#N)=CC=C1NC(=O)C(CC(=O)[O-])C1=C(F)C=CC=C1Cl	REAL300000674405	0	39	-1.0	-48.07	348.49	8.36	-39.71
COC1=CC(C#N)=CC=C1NC(=O)C(C)(CC(=O)[O-])CC(C)C	REAL300000674406	0	44	-1.0	-51.30	340.05	7.95	-43.35
CCC(CC(=O)[O-])(C(=O)NC1=CC=C(C#N)C=C1OC)C1=CC=C(C)C=C1	REAL300000674407	0	48	-1.0	-51.34	379.35	9.77	-41.57
COC1=CC(C#N)=CC=C1NC(=O)C(C)(CC(=O)[O-])C1=CC=C(F)C=C1	REAL300000674408	0	42	-1.0	-49.24	351.06	8.80	-40.44
COC1=CC(C#N)=CC=C1NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300000674409	0	45	0.0	-62.79	347.75	7.75	-55.04
COC1=CC(C#N)=CC=C1NC(=O)C(C)(C)SCC(=O)[O-]	REAL300000674410	0	36	-1.0	-52.52	318.94	6.38	-46.14
COC1=CC(C#N)=CC=C1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	REAL300000674411	0	38	-1.0	-47.91	310.84	7.64	-40.27
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300000674412	0	43	-1.0	-59.12	358.02	9.70	-49.42
COC1=CC(C#N)=CC=C1NC(=O)[C@H]1C[C@]1(C(=O)[O-])C1=CC=CC=C1	REAL300000674413	0	40	-1.0	-52.38	342.55	8.69	-43.69
COC1=CC(C#N)=CC=C1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300000674414	0	39	-1.0	-55.97	323.01	7.10	-48.87
COC1=CC(C#N)=CC=C1NC(=O)C1(C2=CC=CC=C2)CC1C(=O)[O-]	REAL300000674415	0	40	-1.0	-56.65	348.65	8.72	-47.93
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CC(F)(F)C1(F)F	REAL300000674416	0	36	-1.0	-53.10	322.21	7.31	-45.79
COC1=CC(C#N)=CC=C1NC(=O)C(CC(=O)[O-])CC(C)C	REAL300000674417	0	41	-1.0	-43.23	335.82	7.15	-36.08
COC1=CC(C#N)=CC=C1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	REAL300000674418	0	41	-1.0	-52.12	328.35	7.69	-44.43
COC1=CC(C#N)=CC=C1NC(=O)CC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300000674419	0	42	-1.0	-56.11	358.39	9.15	-46.96
COC1=CC(C#N)=CC=C1NC(=O)C1=C(C)SC(C)=C1C(=O)[O-]	REAL300000674420	0	36	-1.0	-55.50	329.61	6.98	-48.52
COC1=CC(C#N)=CC=C1NC(=O)CCCCCCC(=O)[O-]	REAL300000674421	0	41	-1.0	-50.76	349.75	7.83	-42.93
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC=C(C#N)C=C2OC)C1	REAL300000674422	0	42	-1.0	-53.17	342.47	8.19	-44.98
COC1=CC(C#N)=CC=C1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300000674423	0	38	-1.0	-51.75	316.11	5.29	-46.46
COC1=CC(C#N)=CC=C1NC(=O)C1=C(C(=O)[O-])CCCCC1	REAL300000674424	0	40	-1.0	-51.47	329.14	7.57	-43.90
COC1=CC(C#N)=CC=C1NC(=O)C1CCC(C(=O)[O-])S1	REAL300000674425	0	34	-1.0	-52.04	306.64	6.26	-45.78
COC1=CC(C#N)=CC=C1NC(=O)C12CC1(C(=O)[O-])CCC2	REAL300000674426	0	37	-1.0	-54.09	313.83	6.88	-47.21
COC1=CC(C#N)=CC=C1NC(=O)C1C2CCC(CC2)C1C(=O)[O-]	REAL300000674427	0	43	-1.0	-42.22	334.44	7.76	-34.46
COC1=CC(C#N)=CC=C1NC(=O)[C@@H]1CCCCC[C@@H]1C(=O)[O-]	REAL300000674428	0	42	-1.0	-57.70	327.58	8.05	-49.65
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300000674429	0	52	0.0	-58.69	414.91	10.97	-47.72
COC1=CC(C#N)=CC=C1NC(=O)CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000674429	1	52	0.0	-54.66	414.87	10.96	-43.70
COC1=CC(C#N)=CC=C1NC(=O)CC(C(=O)[O-])C1CCCCC1	REAL300000674430	0	45	-1.0	-58.28	359.97	8.71	-49.57
COC1=CC(C#N)=CC=C1NC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300000674431	0	39	-1.0	-42.02	363.08	8.93	-33.09
COC1=CC(C#N)=CC=C1NC(=O)C1=C(C(=O)[O-])CCCCCC1	REAL300000674432	0	43	-1.0	-64.52	335.26	9.18	-55.34
COC1=CC(C#N)=CC=C1NC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]	REAL300000674433	0	42	-1.0	-58.99	361.09	9.32	-49.67
COC1=CC(C#N)=CC=C1NC(=O)C(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300000674434	0	42	-1.0	-49.99	369.47	9.85	-40.14
COC1=CC=C(C(CC(=O)[O-])C(=O)NC2=CC=C(C#N)C=C2OC)C=C1	REAL300000674435	0	43	-1.0	-45.98	364.29	7.35	-38.63
COC1=CC(C#N)=CC=C1NC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000674436	0	39	-1.0	-42.70	351.53	8.57	-34.13
COC1=CC=C(NC(=O)CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC(C)C	REAL300000674437	0	51	-1.0	-59.59	395.32	9.94	-49.65
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CCCCCC2)C=C1OC(C)C	REAL300000674438	0	54	-1.0	-61.98	387.42	9.39	-52.59
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CCCC2)C=C1OC(C)C	REAL300000674439	0	48	-1.0	-60.04	368.86	8.55	-51.49
COC1=CC=C(NC(=O)CC(C)(C)CC(=O)[O-])C=C1OC(C)C	REAL300000674440	0	47	-1.0	-51.77	356.74	7.25	-44.52
COC1=CC=C(NC(=O)CC(C(=O)[O-])C2=CC=CC=C2)C=C1OC(C)C	REAL300000674441	0	48	-1.0	-57.67	385.61	9.82	-47.85
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CCCCC2)C=C1OC(C)C	REAL300000674442	0	51	-1.0	-61.18	379.06	8.92	-52.26
COC1=CC=C(NC(=O)C2CC=CCC2C(=O)[O-])C=C1OC(C)C	REAL300000674443	0	46	-1.0	-63.37	364.18	7.99	-55.38
COC1=CC=C(NC(=O)CC2(CC(=O)[O-])CCCCC2)C=C1OC(C)C	REAL300000674444	0	54	-1.0	-49.40	391.29	8.86	-40.54
COC1=CC=C(NC(=O)CC2(CC(=O)[O-])CCCC2)C=C1OC(C)C	REAL300000674445	0	51	-1.0	-50.30	383.27	8.45	-41.85
COC1=CC=C(NC(=O)CSCC(=O)[O-])C=C1OC(C)C	REAL300000674446	0	39	-1.0	-53.81	335.75	6.22	-47.59
CCC(CC)(CC(=O)NC1=CC=C(OC)C(OC(C)C)=C1)C(=O)[O-]	REAL300000674447	0	50	-1.0	-61.10	375.89	8.23	-52.87
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1OC(C)C	REAL300000674448	0	52	-1.0	-61.46	408.18	10.71	-50.75
COC1=CC=C(NC(=O)C(C)(CC(=O)[O-])C2CCCCC2)C=C1OC(C)C	REAL300000674449	0	57	-1.0	-54.52	411.97	9.79	-44.73
COC1=CC=C(NC(=O)CC(C)(C)C(=O)[O-])C=C1OC(C)C	REAL300000674450	0	44	-1.0	-46.76	343.56	6.74	-40.02
COC1=CC=C(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC(C)C	REAL300000674451	0	46	-1.0	-45.18	356.52	7.88	-37.30
COC1=CC=C(NC(=O)C2CC=CCC2C(=O)[O-])C=C1OC(C)C	REAL300000674452	0	46	-1.0	-63.37	364.18	7.99	-55.38
COC1=CC=C(NC(=O)C2CCC(C(=O)[O-])O2)C=C1OC(C)C	REAL300000674453	0	43	-1.0	-58.58	349.32	6.64	-51.94
COC1=CC=C(NC(=O)C2C3C=CC(CC3)C2C(=O)[O-])C=C1OC(C)C	REAL300000674454	0	50	-1.0	-55.21	377.01	9.05	-46.16
COC1=CC=C(NC(=O)CC2(CC(=O)[O-])CCC2)C=C1OC(C)C	REAL300000674455	0	48	-1.0	-50.16	369.86	7.91	-42.25
COC1=CC=C(NC(=O)C(C)OC(C)C(=O)[O-])C=C1OC(C)C	REAL300000674456	0	45	-1.0	-59.97	362.71	6.92	-53.05
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CCOC2)C=C1OC(C)C	REAL300000674457	0	46	-1.0	-58.64	356.78	6.04	-52.60
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CCC2)C=C1OC(C)C	REAL300000674458	0	45	-1.0	-61.45	352.93	8.10	-53.35
COC1=CC=C(NC(=O)C(C)SC(C)C(=O)[O-])C=C1OC(C)C	REAL300000674459	0	45	-1.0	-58.47	374.20	7.43	-51.04
COC1=CC=C(NC(=O)C2=C(C(=O)[O-])CCCC2)C=C1OC(C)C	REAL300000674460	0	46	-1.0	-70.27	361.30	9.19	-61.08
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CCCC3=CC=CC=C32)C=C1OC(C)C	REAL300000674461	0	55	-1.0	-58.45	413.30	11.01	-47.44
COC1=CC=C(NC(=O)C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1OC(C)C	REAL300000674462	0	42	-1.0	-51.65	359.42	8.57	-43.08
COC1=CC=C(NC(=O)CC(C)CC(=O)[O-])C=C1OC(C)C	REAL300000674463	0	44	-1.0	-54.26	347.00	6.87	-47.39
COC1=CC=C(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C=C1OC(C)C	REAL300000674464	0	48	-1.0	-61.55	363.00	7.79	-53.76
COC1=CC=C(NC(=O)C2CC(C(=O)[O-])C2)C=C1OC(C)C	REAL300000674465	0	42	-1.0	-55.87	340.37	6.87	-49.00
COC1=CC=C(NC(=O)C2=C(C)C=CC(C)=C2C(=O)[O-])C=C1OC(C)C	REAL300000674466	0	48	-1.0	-58.15	383.89	8.95	-49.20
COC1=CC=C(NC(=O)C2C(C(=O)[O-])C2(C)C)C=C1OC(C)C	REAL300000674467	0	45	-1.0	-45.70	357.85	7.55	-38.15
COC1=CC=C(NC(=O)C2CCCC2C(=O)[O-])C=C1OC(C)C	REAL300000674468	0	45	-1.0	-57.35	355.70	7.41	-49.94
COC1=CC=C(NC(=O)C(C)(CC(=O)[O-])C2=CSC=C2)C=C1OC(C)C	REAL300000674469	0	48	-1.0	-52.98	386.33	8.74	-44.24
COC1=CC=C(NC(=O)C(C)(CC(=O)[O-])CC(C)C)C=C1OC(C)C	REAL300000674470	0	53	-1.0	-54.31	389.92	8.90	-45.41
CCC(CC(=O)[O-])(C(=O)NC1=CC=C(OC)C(OC(C)C)=C1)C1=CC=C(C)C=C1	REAL300000674471	0	57	-1.0	-54.78	429.12	10.79	-43.99
COC1=CC=C(NC(=O)C(C)(CC(=O)[O-])C2=CC=C(F)C=C2)C=C1OC(C)C	REAL300000674472	0	51	-1.0	-51.86	401.09	9.73	-42.13
CCC(C)(CC(=O)[O-])C(=O)NC1=CC=C(OC)C(OC(C)C)=C1	REAL300000674473	0	47	-1.0	-47.46	357.96	7.07	-40.39
COC1=CC=C(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C=C1OC(C)C	REAL300000674474	0	54	0.0	-65.81	397.16	8.72	-57.09
COC1=CC=C(NC(=O)C(C)(C)SCC(=O)[O-])C=C1OC(C)C	REAL300000674475	0	45	-1.0	-55.04	368.08	7.34	-47.70
COC1=CC=C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C=C1OC(C)C	REAL300000674476	0	47	-1.0	-50.10	358.12	8.26	-41.84
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CCC3=CC=CC=C32)C=C1OC(C)C	REAL300000674477	0	52	-1.0	-60.26	403.54	10.60	-49.66
COC1=CC=C(NC(=O)[C@H]2C[C@]2(C(=O)[O-])C2=CC=CC=C2)C=C1OC(C)C	REAL300000674478	0	49	-1.0	-69.08	394.81	10.47	-58.61
COC1=CC=C(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC(C)C	REAL300000674479	0	48	-1.0	-59.00	373.52	8.01	-50.99
COC1=CC=C(NC(=O)C2(C3=CC=CC=C3)CC2C(=O)[O-])C=C1OC(C)C	REAL300000674480	0	49	-1.0	-61.55	400.41	9.70	-51.85
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CC(F)(F)C2(F)F)C=C1OC(C)C	REAL300000674481	0	45	-1.0	-56.83	372.16	8.27	-48.56
COC1=CC=C(NC(=O)C(CC(=O)[O-])CC(C)C)C=C1OC(C)C	REAL300000674482	0	50	-1.0	-53.26	381.75	8.51	-44.75
COC1=CC=C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])C=C1OC(C)C	REAL300000674483	0	50	-1.0	-57.08	378.04	8.45	-48.63
COC1=CC=C(NC(=O)CC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1OC(C)C	REAL300000674484	0	51	-1.0	-59.51	408.38	10.07	-49.44
COC1=CC=C(NC(=O)C(C)(C)OCC(=O)[O-])C=C1OC(C)C	REAL300000674485	0	45	-1.0	-59.93	358.29	6.75	-53.18
COC1=CC=C(NC(=O)C2=C(C)SC(C)=C2C(=O)[O-])C=C1OC(C)C	REAL300000674486	0	45	-1.0	-58.16	378.62	7.91	-50.25
COC1=CC=C(NC(=O)CCCCCCC(=O)[O-])C=C1OC(C)C	REAL300000674487	0	50	-1.0	-52.74	398.89	8.78	-43.96
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC=C(OC)C(OC(C)C)=C2)C1	REAL300000674488	0	51	-1.0	-57.78	395.55	8.65	-49.13
COC1=CC=C(NC(=O)CCCCCC(=O)[O-])C=C1OC(C)C	REAL300000674489	0	47	-1.0	-55.38	377.39	7.99	-47.39
COC1=CC=C(NC(=O)CC2(CC(=O)[O-])CC2)C=C1OC(C)C	REAL300000674490	0	45	-1.0	-52.06	359.00	7.53	-44.53
COC1=CC=C(NC(=O)CC2(C(=O)[O-])CC2)C=C1OC(C)C	REAL300000674491	0	42	-1.0	-63.58	338.00	7.73	-55.85
COC1=CC=C(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C=C1OC(C)C	REAL300000674492	0	47	-1.0	-58.27	367.49	6.07	-52.20
COC1=CC=C(NC(=O)C2=C(C(=O)[O-])CCCCC2)C=C1OC(C)C	REAL300000674493	0	49	-1.0	-54.26	379.33	8.59	-45.67
COC1=CC=C(NC(=O)C2CCC(C(=O)[O-])S2)C=C1OC(C)C	REAL300000674494	0	43	-1.0	-50.76	357.24	7.23	-43.53
COC1=CC=C(NC(=O)C2=C(C(=O)[O-])CCC2)C=C1OC(C)C	REAL300000674495	0	43	-1.0	-68.98	348.61	7.49	-61.49
COC1=CC=C(NC(=O)C23CC2(C(=O)[O-])CCC3)C=C1OC(C)C	REAL300000674496	0	46	-1.0	-62.92	364.24	7.97	-54.95
COC1=CC=C(NC(=O)C2C3CCC(CC3)C2C(=O)[O-])C=C1OC(C)C	REAL300000674497	0	52	-1.0	-42.64	384.50	8.69	-33.95
COC1=CC=C(NC(=O)[C@@H]2CCCCC[C@@H]2C(=O)[O-])C=C1OC(C)C	REAL300000674498	0	51	-1.0	-54.09	379.99	8.20	-45.89
COC1=CC=C(NC(=O)CC(C(=O)[O-])C2CCCCC2)C=C1OC(C)C	REAL300000674499	0	54	-1.0	-61.70	409.94	9.66	-52.04
COC1=CC=C(NC(=O)CCCCC(=O)[O-])C=C1OC(C)C	REAL300000674500	0	44	-1.0	-51.12	355.89	7.19	-43.93
COC1=CC=C(NC(=O)C2=C(C(=O)[O-])CCCCCC2)C=C1OC(C)C	REAL300000674501	0	52	-1.0	-69.08	386.54	10.21	-58.87
COC1=CC=C(NC(=O)CC(CC2=CC=CC=C2)C(=O)[O-])C=C1OC(C)C	REAL300000674502	0	51	-1.0	-58.44	404.41	10.29	-48.15
COC1=CC=C(C(CC(=O)[O-])C(=O)NC2=CC=C(OC)C(OC(C)C)=C2)C=C1	REAL300000674503	0	52	-1.0	-47.25	415.66	8.37	-38.88
COC1=CC=C(NC(=O)C(CC(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OC(C)C	REAL300000674504	0	48	-1.0	-43.87	402.91	9.59	-34.28
O=C([O-])C1(CC(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CCCC1	REAL300000674505	0	49	-1.0	-70.46	392.78	6.55	-63.91
CC(C)(CC(=O)[O-])CC(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674506	0	48	-1.0	-62.25	380.73	5.13	-57.12
O=C([O-])C1(CC(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CCCCC1	REAL300000674507	0	52	-1.0	-70.24	403.03	6.92	-63.32
O=C([O-])C1CC=CCC1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674508	0	47	-1.0	-75.47	387.15	5.84	-69.63
O=C([O-])CCC(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674509	0	39	-1.0	-58.94	336.88	3.52	-55.42
O=C([O-])CC1(CC(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CCCC1	REAL300000674510	0	52	-1.0	-59.38	407.06	6.33	-53.05
O=C([O-])CSCC(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674511	0	40	-1.0	-64.20	359.73	4.09	-60.11
CCC(CC)(CC(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300000674512	0	51	-1.0	-70.53	395.16	6.23	-64.30
CC(C)(CC(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300000674513	0	45	-1.0	-58.55	367.54	4.62	-53.93
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674514	0	47	-1.0	-61.80	380.20	5.72	-56.08
O=C([O-])C1CC=CCC1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674515	0	47	-1.0	-75.47	387.15	5.84	-69.63
O=C([O-])C1CCC(C(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)O1	REAL300000674516	0	44	-1.0	-69.51	373.21	4.62	-64.89
O=C([O-])CC1(CC(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CCC1	REAL300000674517	0	49	-1.0	-60.08	393.34	5.79	-54.29
CC(OC(C)C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300000674518	0	46	-1.0	-68.63	390.99	5.00	-63.63
O=C(CC1(C(=O)[O-])CCOC1)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674519	0	47	-1.0	-71.82	380.76	4.04	-67.78
O=C([O-])C1(CC(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CCC1	REAL300000674520	0	46	-1.0	-73.76	378.47	5.23	-68.53
CC(SC(C)C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300000674521	0	46	-1.0	-58.11	398.90	5.33	-52.78
O=C([O-])C1=C(C(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CCCC1	REAL300000674522	0	47	-1.0	-79.11	384.66	7.18	-71.93
CC(CC(=O)[O-])CC(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674523	0	45	-1.0	-64.59	370.98	4.75	-59.84
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674524	0	49	-1.0	-68.62	387.21	6.48	-62.14
O=C([O-])C1CC(C(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300000674525	0	43	-1.0	-65.29	363.66	4.69	-60.60
CC1(C)C(C(=O)[O-])C1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674526	0	46	-1.0	-56.67	381.13	5.39	-51.28
O=C([O-])C1CCCC1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674527	0	46	-1.0	-72.99	375.38	5.57	-67.42
CC(C)CC(C)(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674528	0	54	-1.0	-53.79	408.85	7.04	-46.75
CCC(C)(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674529	0	48	-1.0	-59.17	381.90	4.95	-54.22
CC(C)(SCC(=O)[O-])C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674530	0	46	-1.0	-65.44	392.03	5.21	-60.23
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674531	0	48	-1.0	-60.33	384.58	6.34	-53.99
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300000674532	0	49	-1.0	-69.12	398.06	6.01	-63.11
CC(C)CC(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674533	0	51	-1.0	-69.09	405.51	6.48	-62.61
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674534	0	40	-1.0	-73.89	346.39	4.27	-69.62
CC(C)(OCC(=O)[O-])C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674535	0	46	-1.0	-70.17	382.24	4.72	-65.45
O=C([O-])CCCCCCC(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674536	0	51	-1.0	-62.50	422.87	6.65	-55.85
CCC1CC(C(=O)[O-])C(C(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300000674537	0	52	-1.0	-69.96	419.26	6.54	-63.42
O=C([O-])CCCCCC(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674538	0	48	-1.0	-65.14	401.37	5.87	-59.27
O=C([O-])CC1(CC(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CC1	REAL300000674539	0	46	-1.0	-64.94	383.12	5.44	-59.50
O=C([O-])C1(CC(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CC1	REAL300000674540	0	43	-1.0	-70.68	367.21	4.98	-65.70
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674541	0	48	-1.0	-77.08	391.74	4.18	-72.90
O=C([O-])C1=C(C(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CCCCC1	REAL300000674542	0	50	-1.0	-71.04	402.41	6.50	-64.54
O=C([O-])C1CCC(C(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)S1	REAL300000674543	0	44	-1.0	-62.61	380.79	5.12	-57.49
O=C([O-])C1=C(C(=O)NCC2=CC=C(N3CCCS3(=O)=O)C=C2)CCC1	REAL300000674544	0	44	-1.0	-77.42	372.32	5.36	-72.06
O=C([O-])C12CC1(C(=O)NCC1=CC=C(N3CCCS3(=O)=O)C=C1)CCC2	REAL300000674545	0	47	-1.0	-77.56	385.77	6.55	-71.01
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674546	0	52	-1.0	-71.31	401.19	6.98	-64.33
O=C([O-])CCCCC(=O)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300000674547	0	45	-1.0	-61.44	379.88	5.09	-56.35
CC1=CC(C)=C(NC(=O)CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1O	REAL300000674548	0	44	-1.0	-65.04	349.31	7.90	-57.14
CC1=CC(C)=C(NC(=O)CC2(C(=O)[O-])CCCCCC2)C=C1O	REAL300000674549	0	47	-1.0	-63.67	336.20	7.30	-56.37
CC1=CC(C)=C(NC(=O)CC(C(=O)[O-])C2=CC=CC=C2)C=C1O	REAL300000674550	0	41	-1.0	-60.98	335.77	7.79	-53.19
CC1=CC(C)=C(NC(=O)CC2(C(=O)[O-])CCCCC2)C=C1O	REAL300000674551	0	44	-1.0	-64.55	330.19	6.96	-57.59
CC1=CC(C)=C(NC(=O)CC2(CC(=O)[O-])CCCCC2)C=C1O	REAL300000674552	0	47	-1.0	-49.95	342.29	6.88	-43.07
CC1=CC(C)=C(NC(=O)CC2(CC(=O)[O-])CCCC2)C=C1O	REAL300000674553	0	44	-1.0	-49.96	333.00	6.47	-43.49
CC1=CC(C)=C(NC(=O)CC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1O	REAL300000674554	0	45	-1.0	-65.64	358.23	8.70	-56.94
CC1=CC(C)=C(NC(=O)C(C)(CC(=O)[O-])C2CCCCC2)C=C1O	REAL300000674555	0	50	-1.0	-60.51	363.59	7.93	-52.58
CC1=CC(C)=C(NC(=O)C2C3C=CC(CC3)C2C(=O)[O-])C=C1O	REAL300000674556	0	43	-1.0	-56.97	328.25	7.06	-49.91
CC1=CC(C)=C(NC(=O)CC(C)(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1O	REAL300000674557	0	44	-1.0	-57.72	360.31	8.46	-49.26
CC1=CC(C)=C(NC(=O)CC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C=C1O	REAL300000674558	0	44	-1.0	-54.93	375.47	8.93	-46.00
COC1=CC=C(N(CC(=O)[O-])CC(=O)NC2=CC(O)=C(C)C=C2C)C=C1	REAL300000674559	0	47	-1.0	-54.64	384.18	6.61	-48.03
CC1=CC(C)=C(NC(=O)CN(CC(=O)[O-])C2=CC=C(Cl)C=C2)C=C1O	REAL300000674560	0	43	-1.0	-50.87	371.40	7.84	-43.03
CC1=CC(C)=C(NC(=O)CC2(C(=O)[O-])CCCC3=CC=CC=C32)C=C1O	REAL300000674561	0	48	-1.0	-62.47	363.47	8.99	-53.48
CC1=CC(C)=C(NC(=O)C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1O	REAL300000674562	0	35	-1.0	-55.53	308.63	6.51	-49.02
CC1=CC(C)=C(NC(=O)C2=C(C)C=CC(C)=C2C(=O)[O-])C=C1O	REAL300000674563	0	41	-1.0	-57.50	334.24	6.82	-50.68
CC1=CC(C)=C(NC(=O)C(C)(CC(=O)[O-])C2=CSC=C2)C=C1O	REAL300000674564	0	41	-1.0	-54.86	336.50	6.71	-48.15
CC1=CC(C)=C(NC(=O)C(CC(=O)[O-])C2=C(F)C=CC=C2Cl)C=C1O	REAL300000674565	0	41	-1.0	-48.90	348.83	7.32	-41.58
CC1=CC(C)=C(NC(=O)C(C)(CC(=O)[O-])CC(C)C)C=C1O	REAL300000674566	0	46	-1.0	-43.68	333.02	6.66	-37.02
CCC(CC(=O)[O-])(C(=O)NC1=CC(O)=C(C)C=C1C)C1=CC=C(C)C=C1	REAL300000674567	0	50	-1.0	-56.71	379.31	8.80	-47.91
CC1=CC(C)=C(NC(=O)C(C)(CC(=O)[O-])C2=CC=C(F)C=C2)C=C1O	REAL300000674568	0	44	-1.0	-56.02	352.11	7.78	-48.24
CC1=CC(C)=C(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C=C1O	REAL300000674569	0	47	0.0	-65.30	348.51	6.66	-58.64
CC1=CC(C)=C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C=C1O	REAL300000674570	0	40	-1.0	-52.15	309.11	6.38	-45.77
CC1=CC(C)=C(NC(=O)CC2(C(=O)[O-])CCC3=CC=CC=C32)C=C1O	REAL300000674571	0	45	-1.0	-65.71	356.73	8.49	-57.22
CC1=CC(C)=C(NC(=O)[C@H]2C[C@]2(C(=O)[O-])C2=CC=CC=C2)C=C1O	REAL300000674572	0	42	-1.0	-60.16	343.76	7.63	-52.53
CC1=CC(C)=C(NC(=O)C2(C3=CC=CC=C3)CC2C(=O)[O-])C=C1O	REAL300000674573	0	42	-1.0	-61.71	347.85	7.69	-54.02
CC1=CC(C)=C(NC(=O)CC2(C(=O)[O-])CC(F)(F)C2(F)F)C=C1O	REAL300000674574	0	38	-1.0	-61.47	322.31	6.23	-55.24
CC1=CC(C)=C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])C=C1O	REAL300000674575	0	43	-1.0	-53.90	327.02	6.73	-47.17
CC1=CC=C(C(CC(=O)NC2=CC(O)=C(C)C=C2C)C(=O)[O-])C=C1	REAL300000674576	0	44	-1.0	-63.10	358.54	8.05	-55.05
CC1=C(C(=O)[O-])C(C(=O)NC2=C(C)C=C(C)C(O)=C2)=C(C)S1	REAL300000674577	0	38	-1.0	-64.09	328.90	5.91	-58.18
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC(O)=C(C)C=C2C)C1	REAL300000674578	0	44	-1.0	-60.45	346.93	6.67	-53.78
CC1=CC(C)=C(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C=C1O	REAL300000674579	0	40	-1.0	-58.76	316.63	4.03	-54.73
CC1=CC(C)=C(NC(=O)C2=C(C(=O)[O-])CCCCC2)C=C1O	REAL300000674580	0	42	-1.0	-73.82	326.59	7.55	-66.27
CC1=CC(C)=C(NC(=O)C23CCC2(C(=O)[O-])C[N@H+](CC2=CC=CC=C2)C3)C=C1O	REAL300000674581	0	55	0.0	-73.69	421.70	9.22	-64.47
CC1=CC(C)=C(NC(=O)C23CCC2(C(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C3)C=C1O	REAL300000674581	1	55	0.0	-81.35	420.13	10.23	-71.12
CC1=CC(C)=C(NC(=O)C2C3CCC(CC3)C2C(=O)[O-])C=C1O	REAL300000674582	0	45	-1.0	-63.14	330.87	7.05	-56.09
CC1=CC(C)=C(NC(=O)[C@@H]2CCCCC[C@@H]2C(=O)[O-])C=C1O	REAL300000674583	0	44	-1.0	-66.26	327.18	7.03	-59.23
CC1=CC(C)=C(NC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)C=C1O	REAL300000674584	0	54	0.0	-62.72	418.29	9.97	-52.75
CC1=CC(C)=C(NC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)C=C1O	REAL300000674584	1	54	0.0	-58.19	416.93	9.90	-48.29
CC1=CC(C)=C(NC(=O)CC(C(=O)[O-])C2CCCCC2)C=C1O	REAL300000674585	0	47	-1.0	-62.97	352.28	7.82	-55.15
CC1=CC(C)=C(NC(=O)C(CC(=O)[O-])C2=CC=C(Cl)C=C2Cl)C=C1O	REAL300000674586	0	41	-1.0	-45.92	364.56	7.74	-38.18
CC1=CC(C)=C(NC(=O)C2=C(C(=O)[O-])CCCCCC2)C=C1O	REAL300000674587	0	45	-1.0	-72.59	335.02	8.17	-64.42
CC1=CC(C)=C(NC(=O)CC(CC2=CC=CC=C2)C(=O)[O-])C=C1O	REAL300000674588	0	44	-1.0	-67.58	361.22	8.24	-59.34
CC1=CC(C)=C(NC(=O)C(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C=C1O	REAL300000674589	0	44	-1.0	-55.32	368.24	8.69	-46.63
COC1=CC=C(C(CC(=O)[O-])C(=O)NC2=CC(O)=C(C)C=C2C)C=C1	REAL300000674590	0	45	-1.0	-49.12	364.75	6.22	-42.90
CC1=CC(C)=C(NC(=O)C(CC(=O)[O-])C2=CC=C(Cl)C=C2)C=C1O	REAL300000674591	0	41	-1.0	-45.56	352.15	7.53	-38.03
O=C([O-])CCC(=O)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300000674592	0	41	-1.0	-50.73	354.32	7.56	-43.17
O=C([O-])CSCC(=O)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300000674593	0	42	-1.0	-57.51	377.17	8.12	-49.39
CC(C)(CC(=O)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1)C(=O)[O-]	REAL300000674594	0	47	-1.0	-50.65	384.98	8.65	-42.00
O=C([O-])C1(CC(=O)NC2CC(=O)N(CC3=CC=CC=C3C(F)(F)F)C2)CCC1	REAL300000674595	0	48	-1.0	-65.00	393.19	10.07	-54.93
CC(CC(=O)[O-])CC(=O)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300000674596	0	47	-1.0	-57.74	388.42	8.78	-48.96
O=C([O-])C1CC(C(=O)NC2CC(=O)N(CC3=CC=CC=C3C(F)(F)F)C2)C1	REAL300000674597	0	45	-1.0	-59.97	380.46	8.74	-51.23
CC1(C)C(C(=O)[O-])C1C(=O)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300000674598	0	48	-1.0	-47.39	398.41	9.45	-37.94
O=C([O-])C1CCCC1C(=O)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300000674599	0	48	-1.0	-61.31	395.82	9.29	-52.02
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300000674600	0	42	-1.0	-67.15	360.24	8.92	-58.23
O=C([O-])CC1(CC(=O)NC2CC(=O)N(CC3=CC=CC=C3C(F)(F)F)C2)CC1	REAL300000674601	0	48	-1.0	-52.56	399.98	9.41	-43.15
O=C([O-])C1(CC(=O)NC2CC(=O)N(CC3=CC=CC=C3C(F)(F)F)C2)CC1	REAL300000674602	0	45	-1.0	-66.74	378.11	9.70	-57.04
O=C([O-])C1=C(C(=O)NC2CC(=O)N(CC3=CC=CC=C3C(F)(F)F)C2)CCC1	REAL300000674603	0	46	-1.0	-69.88	389.18	9.39	-60.49
O=C([O-])CCCCC(=O)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300000674604	0	47	-1.0	-54.53	397.31	9.12	-45.41
CCC1=NN(C)C(OC)=C1CNC(=O)CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300000674605	0	50	-1.0	-60.43	404.01	7.19	-53.24
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(C(=O)[O-])CCCCCC1	REAL300000674606	0	53	-1.0	-61.89	390.88	6.66	-55.23
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(C(=O)[O-])CCCC1	REAL300000674607	0	47	-1.0	-60.42	373.64	5.88	-54.54
CCC1=NN(C)C(OC)=C1CNC(=O)CC(C)(C)CC(=O)[O-]	REAL300000674608	0	46	-1.0	-50.59	361.59	4.45	-46.14
CCC1=NN(C)C(OC)=C1CNC(=O)CC(C(=O)[O-])C1=CC=CC=C1	REAL300000674609	0	47	-1.0	-57.59	388.93	7.14	-50.45
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(C(=O)[O-])CCCCC1	REAL300000674610	0	50	-1.0	-58.92	383.85	6.38	-52.54
CCC1=NN(C)C(OC)=C1CNC(=O)C1CC=CCC1C(=O)[O-]	REAL300000674611	0	45	-1.0	-49.05	360.65	5.46	-43.59
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(CC(=O)[O-])CCCCC1	REAL300000674612	0	53	-1.0	-47.46	396.29	6.04	-41.42
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(CC(=O)[O-])CCCC1	REAL300000674613	0	50	-1.0	-50.86	387.90	5.66	-45.20
CCC1=NN(C)C(OC)=C1CNC(=O)CSCC(=O)[O-]	REAL300000674614	0	38	-1.0	-52.52	340.60	3.41	-49.11
CCC1=NN(C)C(OC)=C1CNC(=O)CC(CC)(CC)C(=O)[O-]	REAL300000674615	0	49	-1.0	-56.20	376.03	5.56	-50.64
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300000674616	0	51	-1.0	-60.63	412.94	8.02	-52.61
CCC1=NN(C)C(OC)=C1CNC(=O)C(C)(CC(=O)[O-])C1CCCCC1	REAL300000674617	0	56	-1.0	-54.56	416.78	7.08	-47.48
CCC1=NN(C)C(OC)=C1CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300000674618	0	45	-1.0	-45.73	358.60	4.92	-40.81
CCC1=NN(C)C(OC)=C1CNC(=O)C1CC=CCC1C(=O)[O-]	REAL300000674619	0	45	-1.0	-49.05	360.65	5.46	-43.59
CCC1=NN(C)C(OC)=C1CNC(=O)C1CCC(C(=O)[O-])O1	REAL300000674620	0	42	-1.0	-60.52	354.09	3.88	-56.64
CCC1=NN(C)C(OC)=C1CNC(=O)C1C2C=CC(CC2)C1C(=O)[O-]	REAL300000674621	0	49	-1.0	-47.37	385.59	5.87	-41.50
CCC1=NN(C)C(OC)=C1CNC(=O)CC(C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000674622	0	50	-1.0	-54.45	414.99	7.82	-46.63
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(CC(=O)[O-])CCC1	REAL300000674623	0	47	-1.0	-49.30	374.22	5.10	-44.20
CCC1=NN(C)C(OC)=C1CNC(=O)C(C)OC(C)C(=O)[O-]	REAL300000674624	0	44	-1.0	-59.25	368.31	4.20	-55.05
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(C(=O)[O-])CCOC1	REAL300000674625	0	45	-1.0	-57.69	361.63	3.37	-54.32
CCC1=NN(C)C(OC)=C1CNC(=O)CN(CC(=O)[O-])C1=CC=C(OC)C=C1	REAL300000674626	0	53	-1.0	-53.26	438.86	5.82	-47.44
CCC1=NN(C)C(OC)=C1CNC(=O)CN(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000674627	0	49	-1.0	-49.52	426.07	7.05	-42.47
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(C(=O)[O-])CCC1	REAL300000674628	0	44	-1.0	-59.04	358.75	5.11	-53.93
CCC1=NN(C)C(OC)=C1CNC(=O)C(C)SC(C)C(=O)[O-]	REAL300000674629	0	44	-1.0	-55.91	379.70	4.64	-51.27
CCC1=NN(C)C(OC)=C1CNC(=O)C1=C(C(=O)[O-])CCCC1	REAL300000674630	0	45	-1.0	-66.44	365.67	6.50	-59.94
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(C(=O)[O-])CCCC2=CC=CC=C21	REAL300000674631	0	54	-1.0	-62.77	421.55	7.88	-54.89
CCC1=NN(C)C(OC)=C1CNC(=O)C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000674632	0	41	-1.0	-55.96	363.75	5.91	-50.05
CCC1=NN(C)C(OC)=C1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	REAL300000674633	0	47	-1.0	-59.69	368.39	5.74	-53.95
CCC1=NN(C)C(OC)=C1CNC(=O)C1=C(C)C=CC(C)=C1C(=O)[O-]	REAL300000674634	0	47	-1.0	-57.61	388.50	6.20	-51.41
CCC1=NN(C)C(OC)=C1CNC(=O)C1C(C(=O)[O-])C1(C)C	REAL300000674635	0	44	-1.0	-47.96	362.00	4.71	-43.25
CCC1=NN(C)C(OC)=C1CNC(=O)C1CCCC1C(=O)[O-]	REAL300000674636	0	44	-1.0	-56.33	356.59	4.52	-51.81
CCC1=NN(C)C(OC)=C1CNC(=O)C(C)(CC(=O)[O-])C1=CSC=C1	REAL300000674637	0	47	-1.0	-54.32	391.16	6.01	-48.31
CCC1=NN(C)C(OC)=C1CNC(=O)C(CC(=O)[O-])C1=C(F)C=CC=C1Cl	REAL300000674638	0	47	-1.0	-60.77	405.58	6.55	-54.22
CCC1=NN(C)C(OC)=C1CNC(=O)C(C)(CC(=O)[O-])CC(C)C	REAL300000674639	0	52	-1.0	-55.11	394.97	6.24	-48.87
CCC1=NN(C)C(OC)=C1CNC(=O)C(CC)(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300000674640	0	56	-1.0	-56.25	433.88	8.12	-48.13
CCC1=NN(C)C(OC)=C1CNC(=O)C(C)(CC(=O)[O-])C1=CC=C(F)C=C1	REAL300000674641	0	50	-1.0	-51.13	405.82	7.02	-44.11
CCC1=NN(C)C(OC)=C1CNC(=O)C(C)(CC)CC(=O)[O-]	REAL300000674642	0	46	-1.0	-47.79	362.76	4.27	-43.52
CCC1=NN(C)C(OC)=C1CNC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300000674643	0	53	0.0	-63.41	403.42	6.03	-57.38
CCC1=NN(C)C(OC)=C1CNC(=O)C(C)(C)SCC(=O)[O-]	REAL300000674644	0	44	-1.0	-53.42	372.89	4.53	-48.89
CCC1=NN(C)C(OC)=C1CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	REAL300000674645	0	46	-1.0	-52.95	365.90	5.64	-47.31
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300000674646	0	51	-1.0	-60.52	413.65	7.25	-53.27
CCC1=NN(C)C(OC)=C1CNC(=O)[C@H]1C[C@]1(C(=O)[O-])C1=CC=CC=C1	REAL300000674647	0	48	-1.0	-56.55	402.81	6.77	-49.78
CCC1=NN(C)C(OC)=C1CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300000674648	0	47	-1.0	-57.04	378.02	5.24	-51.80
CCC1=NN(C)C(OC)=C1CNC(=O)C1(C2=CC=CC=C2)CC1C(=O)[O-]	REAL300000674649	0	48	-1.0	-56.98	398.95	6.66	-50.32
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(C(=O)[O-])CC(F)(F)C1(F)F	REAL300000674650	0	44	-1.0	-50.53	381.55	4.81	-45.72
CCC1=NN(C)C(OC)=C1CNC(=O)C(CC(=O)[O-])CC(C)C	REAL300000674651	0	49	-1.0	-46.32	389.59	5.41	-40.91
CCC1=NN(C)C(OC)=C1CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	REAL300000674652	0	49	-1.0	-57.35	382.33	5.87	-51.48
CCC1=NN(C)C(OC)=C1CNC(=O)CC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300000674653	0	50	-1.0	-57.94	410.34	7.83	-50.11
CCC1=NN(C)C(OC)=C1CNC(=O)C(C)(C)OCC(=O)[O-]	REAL300000674654	0	44	-1.0	-58.08	363.10	4.04	-54.04
CCC1=NN(C)C(OC)=C1CNC(=O)C1=C(C)SC(C)=C1C(=O)[O-]	REAL300000674655	0	44	-1.0	-58.06	383.58	5.12	-52.94
CCC1=NN(C)C(OC)=C1CNC(=O)CCCCCCC(=O)[O-]	REAL300000674656	0	49	-1.0	-51.46	403.73	5.97	-45.49
CCC1=NN(C)C(OC)=C1CNC(=O)C1CC(CC)CC1C(=O)[O-]	REAL300000674657	0	50	-1.0	-56.38	400.38	5.87	-50.51
CCC1=NN(C)C(OC)=C1CNC(=O)CCCCCC(=O)[O-]	REAL300000674658	0	46	-1.0	-53.72	382.24	5.19	-48.53
CCC1=NN(C)C(OC)=C1CNC(=O)CC1(CC(=O)[O-])CC1	REAL300000674659	0	44	-1.0	-50.79	363.46	4.75	-46.04
CCC1=NN(C)C(OC)=C1CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300000674660	0	46	-1.0	-59.17	372.25	3.38	-55.79
CCC1=NN(C)C(OC)=C1CNC(=O)C1=C(C(=O)[O-])CCCCC1	REAL300000674661	0	48	-1.0	-54.15	381.93	5.82	-48.33
CCC1=NN(C)C(OC)=C1CNC(=O)C1CCC(C(=O)[O-])S1	REAL300000674662	0	42	-1.0	-51.24	361.80	4.43	-46.81
CCC1=NN(C)C(OC)=C1CNC(=O)C1=C(C(=O)[O-])CCC1	REAL300000674663	0	42	-1.0	-64.83	353.33	4.68	-60.15
CCC1=NN(C)C(OC)=C1CNC(=O)C12CC1(C(=O)[O-])CCC2	REAL300000674664	0	45	-1.0	-58.18	366.44	5.38	-52.80
CCC1=NN(C)C(OC)=C1CNC(=O)C1C2CCC(CC2)C1C(=O)[O-]	REAL300000674665	0	51	-1.0	-48.78	379.27	6.44	-42.34
CCC1=NN(C)C(OC)=C1CNC(=O)[C@@H]1CCCCC[C@@H]1C(=O)[O-]	REAL300000674666	0	50	-1.0	-52.70	385.05	5.50	-47.20
CCC1=NN(C)C(OC)=C1CNC(=O)CC(C(=O)[O-])C1CCCCC1	REAL300000674667	0	53	-1.0	-57.70	409.39	7.06	-50.64
CCC1=NN(C)C(OC)=C1CNC(=O)C1=C(C(=O)[O-])CCCCCC1	REAL300000674668	0	51	-1.0	-67.47	389.23	7.47	-60.00
CCC1=NN(C)C(OC)=C1CNC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]	REAL300000674669	0	50	-1.0	-56.38	405.49	7.74	-48.64
CCC1=NN(C)C(OC)=C1CNC(=O)C(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300000674670	0	50	-1.0	-54.71	430.12	7.41	-47.30
CCC1=NN(C)C(OC)=C1CNC(=O)C(CC(=O)[O-])C1=CC=C(OC)C=C1	REAL300000674671	0	51	-1.0	-48.94	419.43	5.54	-43.40
CCC1=NN(C)C(OC)=C1CNC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000674672	0	47	-1.0	-51.93	410.25	6.69	-45.24
CC1=CC(N2CCCC(NC(=O)CCC(=O)[O-])C2=O)=CC=C1Br	REAL300000674673	0	41	-1.0	-56.68	357.64	7.49	-49.19
CC1=CC(N2CCCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2=O)=CC=C1Br	REAL300000674674	0	42	-1.0	-69.78	365.04	8.17	-61.61
CC(C)(CC(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O)C(=O)[O-]	REAL300000721001	0	41	-1.0	-57.19	333.23	6.64	-50.55
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721002	0	43	-1.0	-61.54	345.31	7.69	-53.85
O=C([O-])C1CC=CCC1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721003	0	43	-1.0	-79.29	354.83	7.69	-71.60
O=C([O-])C1CCC(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)O1	REAL300000721004	0	40	-1.0	-72.30	338.23	6.59	-65.71
O=C([O-])C1C2C=CC(CC2)C1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721005	0	47	-1.0	-48.77	369.69	8.56	-40.21
O=C([O-])CC1(CC(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CCC1	REAL300000721006	0	45	-1.0	-67.36	357.92	7.80	-59.56
CC(OC(C)C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O)C(=O)[O-]	REAL300000721007	0	42	-1.0	-71.05	355.57	6.99	-64.06
O=C([O-])C1(CC(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CCOC1	REAL300000721008	0	43	-1.0	-68.25	349.55	5.31	-62.94
O=C([O-])C1(CC(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CCC1	REAL300000721009	0	42	-1.0	-80.30	341.38	8.03	-72.27
CC(SC(C)C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O)C(=O)[O-]	REAL300000721010	0	42	-1.0	-65.32	360.91	7.23	-58.09
O=C([O-])C1=C(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CCCC1	REAL300000721011	0	43	-1.0	-57.62	352.13	8.53	-49.09
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721012	0	39	-1.0	-59.95	347.85	8.50	-51.45
CC(CC(=O)[O-])CC(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721013	0	41	-1.0	-64.20	336.09	6.77	-57.43
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721014	0	45	-1.0	-70.09	352.11	7.69	-62.40
O=C([O-])C1CC(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)C1	REAL300000721015	0	39	-1.0	-71.37	328.85	6.71	-64.66
CC1=CC=C(C)C(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)=C1C(=O)[O-]	REAL300000721016	0	45	-1.0	-74.79	371.85	8.67	-66.12
CC1(C)C(C(=O)[O-])C1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721017	0	42	-1.0	-56.55	346.25	7.40	-49.15
O=C([O-])C1CCCC1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721018	0	42	-1.0	-64.41	343.14	7.23	-57.18
CC(CC(=O)[O-])(C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O)C1=CSC=C1	REAL300000721019	0	45	-1.0	-72.21	375.77	8.71	-63.50
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721020	0	50	-1.0	-74.92	382.27	8.78	-66.14
CCC(C)(CC(=O)[O-])C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721021	0	44	-1.0	-59.96	347.38	6.97	-52.99
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CC1	REAL300000721022	0	51	0.0	-66.79	387.51	8.64	-58.15
CC(C)(SCC(=O)[O-])C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721023	0	42	-1.0	-67.25	356.62	7.20	-60.05
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721024	0	44	-1.0	-63.87	348.80	8.21	-55.66
O=C([O-])C1(CC(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CCC2=CC=CC=C21	REAL300000721025	0	49	-1.0	-81.15	396.26	10.58	-70.57
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721026	0	46	-1.0	-85.71	384.75	10.50	-75.21
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)C1	REAL300000721027	0	45	-1.0	-72.17	361.84	7.92	-64.25
O=C([O-])C1CC1(C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O)C1=CC=CC=C1	REAL300000721028	0	46	-1.0	-69.37	389.36	9.45	-59.92
CC(C)CC(CC(=O)[O-])C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721029	0	47	-1.0	-54.74	373.43	8.07	-46.67
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721030	0	47	-1.0	-78.25	361.68	9.44	-68.81
CC1=CC=C(C(CC(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)C(=O)[O-])C=C1	REAL300000721031	0	48	-1.0	-78.06	397.84	10.00	-68.06
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721032	0	36	-1.0	-74.08	311.51	6.14	-67.94
CC(C)(OCC(=O)[O-])C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721033	0	42	-1.0	-72.98	346.83	6.71	-66.27
CC1=C(C(=O)[O-])C(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)=C(C)S1	REAL300000721034	0	42	-1.0	-62.17	367.64	7.83	-54.34
O=C([O-])CCCCCCC(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721035	0	47	-1.0	-62.42	388.35	8.67	-53.75
CCC1CC(C(=O)[O-])C(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)C1	REAL300000721036	0	48	-1.0	-66.75	384.17	8.48	-58.27
O=C([O-])CCCCCC(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721037	0	44	-1.0	-66.25	366.85	7.89	-58.36
O=C([O-])CC1(CC(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CC1	REAL300000721038	0	42	-1.0	-57.80	348.25	7.45	-50.35
O=C([O-])C1(CC(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CC1	REAL300000721039	0	39	-1.0	-73.70	325.92	7.65	-66.05
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721040	0	44	-1.0	-65.48	357.05	6.03	-59.45
O=C([O-])C1=C(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CCCCC1	REAL300000721041	0	46	-1.0	-84.21	365.59	9.58	-74.63
O=C([O-])C1CCC(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)S1	REAL300000721042	0	40	-1.0	-70.58	345.52	7.12	-63.46
O=C([O-])C1=C(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CCC1	REAL300000721043	0	40	-1.0	-58.26	339.06	7.12	-51.14
O=C([O-])C12CC1(C(=O)NC1CCN(C3=CC=C(F)C=C3)C1=O)CCC2	REAL300000721044	0	43	-1.0	-80.88	349.74	8.67	-72.21
O=C([O-])C1C2CCC(CC2)C1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721045	0	49	-1.0	-50.43	376.12	8.70	-41.73
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721046	0	48	-1.0	-53.38	370.26	8.17	-45.21
O=C([O-])C(CC(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O)C1CCCCC1	REAL300000721047	0	51	-1.0	-68.31	392.36	9.97	-58.34
O=C([O-])CCCCC(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O	REAL300000721048	0	41	-1.0	-60.45	344.98	7.11	-53.34
O=C([O-])C1=C(C(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)CCCCCC1	REAL300000721049	0	49	-1.0	-86.07	373.39	10.15	-75.92
O=C([O-])C(CC(=O)NC1CCN(C2=CC=C(F)C=C2)C1=O)CC1=CC=CC=C1	REAL300000721050	0	48	-1.0	-73.87	389.73	10.42	-63.45
CC(CC(=O)NCC1=NN=C(C2CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300000721051	0	42	-1.0	-59.36	359.05	7.76	-51.60
O=C(CC1(C(=O)[O-])CCCCCC1)NCC1=NN=C(C2CC2)S1	REAL300000721052	0	45	-1.0	-64.31	347.42	6.80	-57.51
O=C(CC1(C(=O)[O-])CCCC1)NCC1=NN=C(C2CC2)S1	REAL300000721053	0	39	-1.0	-57.08	325.53	6.44	-50.64
O=C([O-])C(CC(=O)NCC1=NN=C(C2CC2)S1)C1=CC=CC=C1	REAL300000721054	0	39	-1.0	-57.61	346.85	7.19	-50.42
O=C(CC1(C(=O)[O-])CCCCC1)NCC1=NN=C(C2CC2)S1	REAL300000721055	0	42	-1.0	-62.15	338.93	6.81	-55.34
O=C([O-])C1CC=CCC1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721056	0	37	-1.0	-52.45	315.52	6.04	-46.41
O=C([O-])CC1(CC(=O)NCC2=NN=C(C3CC3)S2)CCCCC1	REAL300000721057	0	45	-1.0	-45.74	351.26	6.62	-39.12
O=C([O-])CC1(CC(=O)NCC2=NN=C(C3CC3)S2)CCCC1	REAL300000721058	0	42	-1.0	-48.44	342.93	6.22	-42.22
CCC(CC)(CC(=O)NCC1=NN=C(C2CC2)S1)C(=O)[O-]	REAL300000721059	0	41	-1.0	-61.90	334.99	6.17	-55.73
O=C([O-])C1(CC(=O)NCC2=NN=C(C3CC3)S2)CC2=CC=CC=C2C1	REAL300000721060	0	43	-1.0	-62.21	367.97	8.59	-53.62
CC(CC(=O)[O-])(C(=O)NCC1=NN=C(C2CC2)S1)C1CCCCC1	REAL300000721061	0	48	-1.0	-60.21	372.36	7.76	-52.45
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721062	0	37	-1.0	-43.47	316.21	5.61	-37.86
O=C([O-])C1CC=CCC1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721063	0	37	-1.0	-52.45	315.52	6.04	-46.41
O=C([O-])C1C2C=CC(CC2)C1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721064	0	41	-1.0	-55.11	330.36	7.59	-47.52
CC(CC(=O)NCC1=NN=C(C2CC2)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000721065	0	42	-1.0	-52.57	370.03	8.38	-44.19
O=C([O-])CC1(CC(=O)NCC2=NN=C(C3CC3)S2)CCC1	REAL300000721066	0	39	-1.0	-48.45	329.35	5.69	-42.76
O=C(CC1(C(=O)[O-])CCOC1)NCC1=NN=C(C2CC2)S1	REAL300000721067	0	37	-1.0	-56.66	316.66	3.94	-52.72
COC1=CC=C(N(CC(=O)[O-])CC(=O)NCC2=NN=C(C3CC3)S2)C=C1	REAL300000721068	0	45	-1.0	-52.68	393.53	6.28	-46.40
O=C([O-])CN(CC(=O)NCC1=NN=C(C2CC2)S1)C1=CC=C(Cl)C=C1	REAL300000721069	0	41	-1.0	-49.11	380.73	7.50	-41.61
CC(SC(C)C(=O)NCC1=NN=C(C2CC2)S1)C(=O)[O-]	REAL300000721070	0	36	-1.0	-55.54	332.22	5.14	-50.40
O=C([O-])C1=C(C(=O)NCC2=NN=C(C3CC3)S2)CCCC1	REAL300000721071	0	37	-1.0	-49.37	322.62	6.39	-42.98
O=C([O-])C1(CC(=O)NCC2=NN=C(C3CC3)S2)CCCC2=CC=CC=C21	REAL300000721072	0	46	-1.0	-61.15	376.61	8.46	-52.69
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721073	0	33	-1.0	-56.68	318.64	6.49	-50.19
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721074	0	39	-1.0	-57.26	323.12	5.59	-51.67
CC1=CC=C(C)C(C(=O)NCC2=NN=C(C3CC3)S2)=C1C(=O)[O-]	REAL300000721075	0	39	-1.0	-68.11	351.23	6.60	-61.51
CC(CC(=O)[O-])(C(=O)NCC1=NN=C(C2CC2)S1)C1=CSC=C1	REAL300000721076	0	39	-1.0	-49.86	346.22	6.58	-43.28
O=C([O-])CC(C(=O)NCC1=NN=C(C2CC2)S1)C1=C(F)C=CC=C1Cl	REAL300000721077	0	39	-1.0	-62.25	363.77	7.14	-55.11
CC(C)CC(C)(CC(=O)[O-])C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721078	0	44	-1.0	-51.24	352.62	6.73	-44.51
CCC(CC(=O)[O-])(C(=O)NCC1=NN=C(C2CC2)S1)C1=CC=C(C)C=C1	REAL300000721079	0	48	-1.0	-59.33	388.92	8.69	-50.64
CC(CC(=O)[O-])(C(=O)NCC1=NN=C(C2CC2)S1)C1=CC=C(F)C=C1	REAL300000721080	0	42	-1.0	-48.46	360.86	7.59	-40.87
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2=NN=C(C3CC3)S2)CC1	REAL300000721081	0	45	0.0	-70.87	358.47	6.57	-64.30
CC(C)(SCC(=O)[O-])C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721082	0	36	-1.0	-54.30	327.93	5.10	-49.20
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721083	0	38	-1.0	-45.63	319.78	6.25	-39.38
O=C([O-])C1(CC(=O)NCC2=NN=C(C3CC3)S2)CCC2=CC=CC=C21	REAL300000721084	0	43	-1.0	-58.37	363.58	8.51	-49.86
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721085	0	40	-1.0	-67.49	354.75	8.12	-59.37
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2=NN=C(C3CC3)S2)C1	REAL300000721086	0	39	-1.0	-57.33	332.27	5.80	-51.53
O=C([O-])C1CC1(C(=O)NCC1=NN=C(C2CC2)S1)C1=CC=CC=C1	REAL300000721087	0	40	-1.0	-50.80	350.99	7.39	-43.41
O=C([O-])C1(CC(=O)NCC2=NN=C(C3CC3)S2)CC(F)(F)C1(F)F	REAL300000721088	0	36	-1.0	-52.13	336.78	5.39	-46.74
CC(C)CC(CC(=O)[O-])C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721089	0	41	-1.0	-45.66	344.64	5.98	-39.68
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721090	0	41	-1.0	-56.25	337.24	6.66	-49.59
CC1=CC=C(C(CC(=O)NCC2=NN=C(C3CC3)S2)C(=O)[O-])C=C1	REAL300000721091	0	42	-1.0	-57.82	368.28	7.87	-49.95
CC1=C(C(=O)[O-])C(C(=O)NCC2=NN=C(C3CC3)S2)=C(C)S1	REAL300000721092	0	36	-1.0	-54.47	338.61	5.69	-48.78
O=C([O-])CCCCCCC(=O)NCC1=NN=C(C2CC2)S1	REAL300000721093	0	41	-1.0	-52.47	358.77	6.55	-45.92
CCC1CC(C(=O)[O-])C(C(=O)NCC2=NN=C(C3CC3)S2)C1	REAL300000721094	0	42	-1.0	-48.62	350.82	6.37	-42.25
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721095	0	38	-1.0	-54.97	327.84	3.78	-51.19
O=C([O-])C1=C(C(=O)NCC2=NN=C(C3CC3)S2)CCCCC1	REAL300000721096	0	40	-1.0	-67.02	336.54	7.46	-59.56
O=C([O-])C1CCC(C(=O)NCC2=NN=C(C3CC3)S2)S1	REAL300000721097	0	34	-1.0	-56.02	316.09	5.00	-51.02
O=C([O-])C12CC1(C(=O)NCC1=NN=C(C3CC3)S1)CCC2	REAL300000721098	0	37	-1.0	-56.61	322.23	5.66	-50.95
O=C([O-])C1C2CCC(CC2)C1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721099	0	43	-1.0	-45.02	339.25	7.02	-38.00
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721100	0	42	-1.0	-46.82	340.72	6.16	-40.66
O=C(CC(C(=O)[O-])C1CCCCC1)NCC1=NN=C(C2CC2)S1	REAL300000721101	0	45	-1.0	-63.33	369.82	7.45	-55.88
O=C([O-])C1=C(C(=O)NCC2=NN=C(C3CC3)S2)CCCCCC1	REAL300000721102	0	43	-1.0	-66.13	344.29	8.05	-58.08
O=C([O-])C(CC(=O)NCC1=NN=C(C2CC2)S1)CC1=CC=CC=C1	REAL300000721103	0	42	-1.0	-54.05	360.53	8.31	-45.74
O=C([O-])CC(CC1=CC=C(Cl)C=C1)C(=O)NCC1=NN=C(C2CC2)S1	REAL300000721104	0	42	-1.0	-48.50	377.88	8.51	-39.99
COC1=CC=C(C(CC(=O)[O-])C(=O)NCC2=NN=C(C3CC3)S2)C=C1	REAL300000721105	0	43	-1.0	-56.58	378.07	6.04	-50.54
O=C([O-])CC(C(=O)NCC1=NN=C(C2CC2)S1)C1=CC=C(Cl)C=C1	REAL300000721106	0	39	-1.0	-54.17	365.30	7.27	-46.90