CCC1CCC(NC(=O)CCCC2=NNN=N2)(C(=O)OC)CC1	REAL000000000123	1	48	0.0	-18.73	365.13	4.81	-13.92
CCC1CCC(NC(=O)CCC2=NNN=N2)(C(=O)OC)CC1	REAL000000000124	1	45	0.0	-11.18	343.03	5.39	-5.79
CCC1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)(C(=O)OC)CC1	REAL000000000125	0	51	0.0	-15.90	389.68	9.05	-6.85
CCC1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)(C(=O)OC)CC1	REAL000000000126	0	48	0.0	-9.84	375.11	5.98	-3.86
O=C(CCCC1=NNN=N1)NC1=CC(F)=CC=C1OCC(F)(F)F	REAL000000000127	1	37	0.0	-16.80	332.26	4.25	-12.54
O=C(CCC1=NNN=N1)NC1=CC(F)=CC=C1OCC(F)(F)F	REAL000000000128	1	34	0.0	-13.00	310.76	3.46	-9.53
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000129	0	40	0.0	-18.13	358.04	7.12	-11.02
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000130	0	37	0.0	-12.54	342.85	4.04	-8.51
CCC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC=C1F	REAL000000000131	1	43	0.0	-16.38	351.11	4.39	-11.99
CCC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC=C1F	REAL000000000132	1	40	0.0	-13.19	329.92	3.55	-9.64
CCC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OC1=CC=CC=C1F	REAL000000000133	0	46	0.0	-18.56	376.76	7.21	-11.35
CCC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OC1=CC=CC=C1F	REAL000000000134	0	43	0.0	-12.61	362.42	4.14	-8.46
CC1(C)CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCS1	REAL000000000135	0	40	0.0	-14.78	321.70	7.45	-7.33
CC1(C)CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCS1	REAL000000000136	0	37	0.0	-8.26	306.18	5.23	-3.03
O=C(CCCC1=NNN=N1)NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1	REAL000000000137	1	43	0.0	-14.56	375.52	5.22	-9.33
O=C(CCC1=NNN=N1)NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1	REAL000000000138	1	40	0.0	-11.46	354.04	4.43	-7.03
O=C(NCC(C1=CC=C(Cl)C=C1)N1C=CC=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000139	0	43	0.0	-10.92	386.13	5.01	-5.91
CC1C(C2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000140	0	46	0.0	-11.89	352.85	9.14	-2.75
CC1C(C2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000141	0	43	0.0	-9.87	349.89	7.48	-2.39
CCC1=CC=C(C(C)(C)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000000142	1	45	0.0	-12.14	351.68	6.22	-5.92
CCC1=CC=C(C(C)(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000000143	0	48	0.0	-13.71	376.98	9.08	-4.64
CCC1=CC=C(C(C)(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000000144	0	45	0.0	-7.94	362.27	6.01	-1.93
CN(C(=O)CCCC1=NNN=N1)C(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL000000000145	1	46	0.0	-15.45	389.28	9.48	-5.97
CN(C(=O)CCC1=NNN=N1)C(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL000000000146	1	43	0.0	-11.32	366.90	8.51	-2.81
C[N@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000000147	0	48	0.0	-75.63	371.60	7.04	-68.60
C[N@@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000000147	1	48	0.0	-75.61	369.70	7.00	-68.61
C[N@H+](CC1CC1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000000147	1	48	0.0	-75.62	371.54	7.04	-68.59
C[N@@H+](CC1CC1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000000147	1	48	0.0	-75.59	369.64	7.00	-68.59
CC1=CC=C(C(F)(F)F)C=C1NC(=O)CCCC1=NNN=N1	REAL000000000150	1	36	0.0	-16.93	312.97	5.24	-11.69
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000151	0	39	0.0	-18.52	338.75	8.10	-10.42
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000152	0	36	0.0	-10.91	323.86	5.03	-5.88
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCCC2)CC1	REAL000000000153	0	48	0.0	-68.15	362.01	5.56	-62.59
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCCC2)CC1	REAL000000000153	1	48	0.0	-68.13	361.96	5.57	-62.56
CN1C=C(Br)C=C(NC(=O)CCC2=NNN=N2)C1=O	REAL000000000157	1	30	0.0	-17.87	282.31	3.09	-14.78
COCCN(CC1=NN=C(C2=CC=CS2)O1)C(=O)CCCC1=NNN=N1	REAL000000000160	1	45	0.0	-19.58	388.02	1.16	-18.42
COCCN(CC1=NN=C(C2=CC=CS2)O1)C(=O)CCC1=NNN=N1	REAL000000000161	1	42	0.0	-17.20	370.53	0.19	-17.02
CN(C)CCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCS(=O)(=O)C1	REAL000000000164	0	47	0.0	-17.76	378.86	0.84	-16.93
O=C(NC1=CC2=NNN=C2C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000165	0	35	0.0	-17.01	302.01	3.47	-13.55
O=C(NC1=CC=C2NN=NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000165	1	35	0.0	-17.31	301.80	3.50	-13.81
O=C(NC1=CC2=NNN=C2C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000166	0	32	0.0	-10.82	286.90	0.45	-10.38
O=C(NC1=CC=C2NN=NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000166	1	32	0.0	-16.82	287.55	0.42	-16.40
CCOC(=O)CN1CCCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000000167	1	47	0.0	-18.18	362.80	4.23	-13.94
CCOC(=O)CN1CCCN(C(=O)CCC2=NNN=N2)CC1	REAL000000000168	1	44	0.0	-14.31	341.30	3.45	-10.85
CCOC(=O)CN1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000000169	0	50	0.0	-17.37	381.01	5.95	-11.43
CCOC(=O)CN1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000000170	0	47	0.0	-11.05	367.37	4.35	-6.70
O=C(NC1=C2C=NC=CC2=NC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000171	0	37	0.0	-17.14	315.75	4.98	-12.16
O=C(NC1=C2C=NC=CC2=NC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000172	0	34	0.0	-11.08	299.90	1.86	-9.22
O=C(CCCC1=NNN=N1)NC1=NNC(C2CCCCC2)=C1	REAL000000000173	1	43	0.0	-14.52	339.63	4.65	-9.87
O=C(NC1=NNC(C2CCCCC2)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000174	0	46	0.0	-15.20	364.76	7.49	-7.70
O=C(NC1=NNC(C2CCCCC2)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000175	0	43	0.0	-9.67	350.20	4.43	-5.23
CNC(=O)C1=CC(OC2=CC(C)=CC=C2NC(=O)CCCC2=NNN=N2)=CC=N1	REAL000000000176	1	50	0.0	-17.41	419.83	3.60	-13.81
CNC(=O)C1=CC(OC2=CC(C)=CC=C2NC(=O)CCC2=NNN=N2)=CC=N1	REAL000000000177	1	47	0.0	-14.05	398.33	2.82	-11.23
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)CCCC1=NNN=N1	REAL000000000178	1	44	0.0	-19.71	373.11	4.62	-15.09
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)CCC1=NNN=N1	REAL000000000179	1	41	0.0	-15.69	351.69	3.84	-11.85
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000180	0	47	0.0	-22.48	398.27	7.48	-15.00
CCOC(=O)C(CC1=CC=NC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000181	0	44	0.0	-14.96	383.72	4.41	-10.55
CC1=CC(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1F	REAL000000000182	0	42	0.0	-15.57	351.90	7.91	-7.66
CC1=CC(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1F	REAL000000000183	0	39	0.0	-9.18	337.34	4.85	-4.34
CN1C=C(N2CCN(C(=O)CCCC3=NNN=N3)CC2)C=N1	REAL000000000184	1	42	0.0	-18.54	334.82	2.38	-16.16
CN1C=C(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)C=N1	REAL000000000185	0	45	0.0	-20.49	357.58	4.84	-15.65
CN1C=C(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)C=N1	REAL000000000186	0	42	0.0	-13.28	342.78	2.57	-10.71
CC1CC(C)(C)CCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000187	0	48	0.0	-14.34	358.87	8.21	-6.13
CC1CC(C)(C)CCC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000188	0	45	0.0	-7.91	348.78	4.74	-3.18
CCSC1CCCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000000189	0	46	0.0	-14.56	368.56	8.40	-6.16
CCSC1CCCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000000190	0	43	0.0	-8.19	354.00	5.32	-2.86
CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1N1CCOC1=O	REAL000000000191	1	42	0.0	-24.26	350.91	5.04	-19.22
CC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1N1CCOC1=O	REAL000000000192	1	39	0.0	-19.90	329.42	4.26	-15.65
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1N1CCOC1=O	REAL000000000193	0	45	0.0	-29.82	377.34	7.80	-22.03
CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1N1CCOC1=O	REAL000000000194	0	42	0.0	-18.76	361.85	4.81	-13.95
CCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCOCC1	REAL000000000195	0	46	0.0	-16.21	352.11	5.74	-10.47
CCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCOCC1	REAL000000000196	0	43	0.0	-9.26	337.55	2.67	-6.59
CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000000197	1	60	0.0	-18.68	462.57	4.19	-14.49
CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000000198	1	57	0.0	-14.27	441.01	3.41	-10.86
CC1=NC(C2=CC=C(C)C(NC(=O)CCCC3=NNN=N3)=C2)=NN1	REAL000000000199	1	42	0.0	-23.62	351.33	4.96	-18.66
CC1=NC(C2=CC=C(C)C(NC(=O)CCC3=NNN=N3)=C2)=NN1	REAL000000000200	1	39	0.0	-18.84	329.85	4.18	-14.66
CC1=NC(C2=CC=C(C)C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)=NN1	REAL000000000201	0	45	0.0	-25.58	377.12	7.82	-17.75
CC1=NC(C2=CC=C(C)C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)=NN1	REAL000000000202	0	42	0.0	-17.50	362.94	4.79	-12.71
CCC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC=C1Cl	REAL000000000203	1	43	0.0	-15.02	360.92	4.87	-10.15
CCC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC=C1Cl	REAL000000000204	1	40	0.0	-11.82	339.72	4.04	-7.78
CCC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OC1=CC=CC=C1Cl	REAL000000000205	0	46	0.0	-17.13	386.56	7.69	-9.44
CCC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OC1=CC=CC=C1Cl	REAL000000000206	0	43	0.0	-11.22	372.22	4.63	-6.59
CCCOC1(CNC(=O)CCCC2=NNN=N2)CCCCC1	REAL000000000207	1	49	0.0	-11.83	370.59	4.63	-7.20
CCCOC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCCC1	REAL000000000208	0	52	0.0	-13.40	396.09	7.52	-5.89
CCCOC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCCC1	REAL000000000209	0	49	0.0	-7.70	381.31	4.47	-3.23
CC1(CCC2=CC=CC=C2)CCN(C(=O)CCCC2=NNN=N2)C1	REAL000000000210	1	49	0.0	-15.33	385.36	8.35	-6.97
CC1(CCC2=CC=CC=C2)CCN(C(=O)CCC2=NNN=N2)C1	REAL000000000211	1	46	0.0	-10.98	363.86	7.57	-3.41
CC1(CCC2=CC=CC=C2)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000000212	0	52	0.0	-17.71	404.65	10.58	-7.14
CC1(CCC2=CC=CC=C2)CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000000213	0	49	0.0	-10.22	391.29	8.60	-1.62
O=C(CCCC1=NNN=N1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000214	1	46	0.0	-13.38	359.36	8.00	-5.38
O=C(CCC1=NNN=N1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000215	1	43	0.0	-9.71	333.44	7.16	-2.55
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000216	0	49	0.0	-14.43	386.61	10.36	-4.06
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC(F)=CC=C1F)C1CCCC1	REAL000000000217	0	46	0.0	-10.02	367.53	8.67	-1.35
O=C(CCCC1=NNN=N1)N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL000000000218	1	51	0.0	-22.88	403.28	7.68	-15.19
O=C(CCC1=NNN=N1)N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL000000000219	1	48	0.0	-18.34	381.78	6.90	-11.44
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CN(C)C=C1	REAL000000000220	0	40	0.0	-16.48	333.96	6.81	-9.67
CC(CCNC(=O)CCCC1=NNN=N1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000221	1	45	0.0	-15.69	378.52	6.39	-9.30
CC(CCNC(=O)CCC1=NNN=N1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000222	1	42	0.0	-11.72	357.03	5.61	-6.12
CC(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL000000000223	0	45	0.0	-10.68	389.13	6.18	-4.50
CC(C)OCCN1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000000225	0	51	0.0	-15.83	393.75	5.29	-10.54
CC(C)OCCN1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000000226	0	48	0.0	-9.49	378.42	3.06	-6.43
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)CCCC1=NNN=N1	REAL000000000227	1	40	0.0	-16.57	345.50	7.30	-9.28
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)CCC1=NNN=N1	REAL000000000228	1	37	0.0	-11.35	324.00	6.52	-4.83
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000229	0	40	0.0	-8.30	352.62	7.63	-0.67
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000000230	1	42	0.0	-20.64	353.79	2.16	-18.48
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000000231	1	39	0.0	-16.33	332.29	1.38	-14.95
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000232	0	45	0.0	-20.47	379.87	4.93	-15.53
CCNC(=O)NC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000233	0	42	0.0	-13.76	364.40	1.94	-11.81
CCC1CN(C(=O)CCCC2=NNN=N2)CCC1C1=CC=CC=C1	REAL000000000234	1	49	0.0	-14.03	374.85	8.19	-5.85
CCC1CN(C(=O)CCC2=NNN=N2)CCC1C1=CC=CC=C1	REAL000000000235	1	46	0.0	-9.79	353.35	7.40	-2.38
CCC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1C1=CC=CC=C1	REAL000000000236	0	52	0.0	-16.18	398.66	10.67	-5.50
CCC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1C1=CC=CC=C1	REAL000000000237	0	49	0.0	-8.82	373.72	8.64	-0.18
O=C(CCCC1=NNN=N1)NCCC1CCN(CC(F)(F)F)CC1	REAL000000000238	1	47	0.0	-14.83	376.76	3.24	-11.59
O=C(CCC1=NNN=N1)NCCC1CCN(CC(F)(F)F)CC1	REAL000000000239	1	44	0.0	-11.06	355.26	2.46	-8.60
O=C(NCCC1CCN(CC(F)(F)F)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000240	0	50	0.0	-16.61	401.92	6.08	-10.53
O=C(NCCC1CCN(CC(F)(F)F)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000241	0	47	0.0	-10.14	387.34	3.02	-7.13
O=C(NCCCNC(=O)C1CCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000242	0	46	0.0	-23.23	377.09	4.56	-18.67
O=C(NCCCNC(=O)C1CCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000243	0	43	0.0	-15.48	362.52	1.50	-13.98
O=C(CCCC1=NNN=N1)N1CCC(C(=O)C2=CC=CS2)CC1	REAL000000000244	1	42	0.0	-20.02	351.17	6.12	-13.90
O=C(CCC1=NNN=N1)N1CCC(C(=O)C2=CC=CS2)CC1	REAL000000000245	1	39	0.0	-14.93	329.67	5.33	-9.60
O=C(C1=CC=CS1)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000000246	0	45	0.0	-22.62	374.64	8.60	-14.02
O=C(C1=CC=CS1)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000000247	0	42	0.0	-14.18	359.27	6.31	-7.87
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL000000000248	0	44	0.0	-79.24	360.25	5.43	-73.81
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL000000000248	1	44	0.0	-79.23	360.30	5.43	-73.80
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL000000000248	1	44	0.0	-79.21	360.20	5.42	-73.79
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL000000000248	1	44	0.0	-79.21	360.25	5.42	-73.79
C[N@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL000000000249	0	41	0.0	-70.34	338.74	4.64	-65.70
C[N@@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL000000000249	1	41	0.0	-70.32	338.81	4.64	-65.68
C[N@H+](CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL000000000249	1	41	0.0	-70.33	338.69	4.64	-65.69
C[N@@H+](CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL000000000249	1	41	0.0	-70.31	338.75	4.64	-65.67
CN(CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)CC1=CC=C(F)C=C1	REAL000000000250	1	47	0.0	-18.17	386.65	5.95	-12.22
CN(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)CC1=CC=C(F)C=C1	REAL000000000251	1	44	0.0	-10.88	372.04	2.89	-7.99
COC1=CC(OC)=CC(N2N=NN=C2CN(C)C(=O)CCCC2=NNN=N2)=C1	REAL000000000252	1	49	0.0	-18.82	401.98	3.40	-15.42
COC1=CC(OC)=CC(N2N=NN=C2CN(C)C(=O)CCC2=NNN=N2)=C1	REAL000000000253	1	46	0.0	-15.30	380.50	2.62	-12.68
CC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC=C1Br	REAL000000000254	1	40	0.0	-14.75	350.77	4.38	-10.38
CC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC=C1Br	REAL000000000255	1	37	0.0	-11.05	328.97	3.65	-7.40
C[NH+](C)CCCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000000256	0	51	0.0	-74.73	390.57	5.73	-69.00
C[NH+](C)CCCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000000256	1	51	0.0	-74.72	390.51	5.72	-69.00
C[NH+](C)CCCOC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000000257	0	48	0.0	-65.07	369.07	4.95	-60.12
C[NH+](C)CCCOC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000000257	1	48	0.0	-65.08	369.02	4.94	-60.14
CC(C)CC(C)(C)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000260	0	47	0.0	-14.54	354.63	7.19	-7.34
CC(C)CC(C)(C)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000261	0	44	0.0	-7.80	339.06	4.06	-3.74
O=C(CCCC1=NNN=N1)NCC1=C(F)C(F)=CC(F)=C1F	REAL000000000262	1	33	0.0	-13.51	305.71	3.66	-9.85
O=C(CCC1=NNN=N1)NCC1=C(F)C(F)=CC(F)=C1F	REAL000000000263	1	30	0.0	-9.78	284.22	2.89	-6.89
O=C(NCC1=C(F)C(F)=CC(F)=C1F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000264	0	36	0.0	-15.03	330.87	6.52	-8.50
O=C(NCC1=C(F)C(F)=CC(F)=C1F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000265	0	33	0.0	-8.97	316.31	3.45	-5.52
CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1C(=O)N(C)C	REAL000000000266	1	43	0.0	-18.52	349.19	3.91	-14.61
CC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1C(=O)N(C)C	REAL000000000267	1	40	0.0	-15.00	327.91	3.10	-11.90
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C(=O)N(C)C	REAL000000000268	0	46	0.0	-18.94	374.06	6.75	-12.20
CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C(=O)N(C)C	REAL000000000269	0	43	0.0	-12.66	361.13	3.73	-8.93
CC(C)COC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000000270	1	58	0.0	-13.65	439.54	8.06	-5.59
CC(C)COC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000000271	1	55	0.0	-11.57	430.91	8.03	-3.54
O=C(CCCC1=NNN=N1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000274	1	41	0.0	-14.77	350.67	7.72	-7.06
O=C(CCC1=NNN=N1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000275	1	38	0.0	-10.21	329.18	6.94	-3.27
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000276	0	44	0.0	-15.57	374.38	10.10	-5.47
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL000000000277	0	41	0.0	-9.37	358.32	8.00	-1.37
O=C(CCCC1=NNN=N1)NCCOC1=CC=C(F)C=C1F	REAL000000000278	1	37	0.0	-16.42	325.05	3.26	-13.16
O=C(NCCOC1=CC=C(F)C=C1F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000000279	0	40	0.0	-18.51	350.20	6.12	-12.39
O=C(NCCOC1=CC=C(F)C=C1F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000000280	0	37	0.0	-12.76	335.65	3.05	-9.71
CCCCN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000000281	0	45	0.0	-14.86	351.48	9.53	-5.32
CCCCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000000282	0	42	0.0	-9.38	337.72	7.96	-1.42
C[NH+](C)CCCN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL000000000283	0	50	0.0	-73.25	391.80	3.17	-70.08
C[NH+](C)CCCN(C(=O)CCCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL000000000283	1	50	0.0	-73.23	391.74	3.17	-70.07
C[NH+](C)CCCN(C(=O)CCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL000000000284	0	47	0.0	-70.82	372.52	2.61	-68.21
C[NH+](C)CCCN(C(=O)CCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL000000000284	1	47	0.0	-70.82	372.46	2.62	-68.20
CN(C)CCCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCS(=O)(=O)C1	REAL000000000285	1	50	0.0	-18.84	400.36	1.64	-17.21
CC1C[NH+](CCCCNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL000000000286	0	51	0.0	-74.05	394.96	4.26	-69.80
CC1C[NH+](CCCCNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL000000000286	1	51	0.0	-74.04	394.90	4.26	-69.79
CC1C[NH+](CCCCNC(=O)CCC2=NN=N[N-]2)CC(C)O1	REAL000000000287	0	48	0.0	-65.92	373.46	3.48	-62.44
CC1C[NH+](CCCCNC(=O)CCC2=N[N-]N=N2)CC(C)O1	REAL000000000287	1	48	0.0	-65.91	373.40	3.48	-62.43
O=C(CCCC1=NNN=N1)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL000000000290	1	40	0.0	-15.52	359.66	2.82	-12.70
O=C(CCC1=NNN=N1)NCC(O)(C1=CC=C(Cl)C=C1)C(F)(F)F	REAL000000000291	1	37	0.0	-11.68	338.27	2.01	-9.67
C=CC(=O)NC1=CC(NC(=O)CCCC2=NNN=N2)=CC=C1F	REAL000000000292	1	38	0.0	-17.05	330.58	2.96	-14.10
C=CC(=O)NC1=CC(NC(=O)CCC2=NNN=N2)=CC=C1F	REAL000000000293	1	35	0.0	-13.60	309.08	2.17	-11.43
C=CC(=O)NC1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1F	REAL000000000294	0	41	0.0	-18.65	356.04	5.75	-12.90
C=CC(=O)NC1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1F	REAL000000000295	0	38	0.0	-11.93	341.16	2.74	-9.18
CC1=NC(C)=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000000296	0	35	0.0	-16.38	307.90	4.84	-11.54
CC1=NC(C)=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000000297	0	32	0.0	-10.08	293.36	1.78	-8.30
CCCC(NC(=O)C1=C(C)N(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=NNN=N1	REAL000000000298	1	44	0.0	-17.62	379.81	4.51	-13.11
C=CCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000299	1	45	0.0	-13.96	371.10	4.40	-9.56
CCCC(NC(=O)C1=CC2=C(C=CC3=CC=CC=C23)N1)C1=NNN=N1	REAL000000000300	1	43	0.0	-13.65	358.04	5.84	-7.81
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000301	1	39	0.0	-10.49	354.24	6.05	-4.44
CCCC(NC(=O)C1CCCN(C2=NC=CC=N2)C1)C1=NNN=N1	REAL000000000302	1	46	0.0	-12.49	365.94	4.43	-8.07
CCCC(NC(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000000303	1	43	0.0	-17.19	361.19	5.54	-11.65
CCCC(NC(=O)C1=CC=CC(CN2C(=O)CNC2=O)=C1)C1=NNN=N1	REAL000000000304	1	45	0.0	-20.05	380.54	2.27	-17.78
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2N1)C1=NNN=N1	REAL000000000305	1	37	0.0	-10.27	332.76	4.20	-6.07
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2N1)C1=NNN=N1	REAL000000000306	1	37	0.0	-11.98	317.89	3.65	-8.34
CCCC(NC(=O)CCOC1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000307	1	46	0.0	-8.54	363.43	4.86	-3.67
CCCC(NC(=O)CCOC1=CC(C)=CC(C)=C1)C1=NNN=N1	REAL000000000308	1	46	0.0	-11.25	375.04	5.32	-5.93
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2N1)C1=NNN=N1	REAL000000000309	1	37	0.0	-11.14	332.75	4.20	-6.94
CCCC(NC(=O)CC(NC(C)=O)C1=CC=CS1)C1=NNN=N1	REAL000000000310	1	43	0.0	-17.35	372.23	2.99	-14.36
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N=C1)C1=NNN=N1	REAL000000000311	1	35	0.0	-10.69	312.41	2.89	-7.80
CCCC(NC(=O)C1=C2N=C(C)C=C(C)N2N=C1)C1=NNN=N1	REAL000000000312	1	41	0.0	-20.60	345.08	3.76	-16.84
CCCC(NC(=O)C1=CC=CC(OCC2CCCO2)=C1)C1=NNN=N1	REAL000000000313	1	48	0.0	-16.66	386.14	4.35	-12.31
CCCC(NC(=O)COC1=CC=C(Br)C=C1Cl)C1=NNN=N1	REAL000000000314	1	37	0.0	-15.47	348.59	5.38	-10.09
CCCC(NC(=O)COC1=CC=C(OC2=CC=C(C)C=C2)C=C1)C1=NNN=N1	REAL000000000315	1	51	0.0	-15.35	421.37	7.73	-7.62
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=N1)C1=NNN=N1	REAL000000000316	1	35	0.0	-8.56	314.07	2.92	-5.65
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C)C(F)=C2)C1)C1=NNN=N1	REAL000000000317	1	47	0.0	-17.62	383.75	5.33	-12.29
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C1=NNN=N1	REAL000000000318	1	45	0.0	-17.67	386.73	1.51	-16.15
CCCC(NC(=O)C1CCCN(S(=O)(=O)C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000000319	1	51	0.0	-16.89	415.87	3.50	-13.39
CCCC(NC(=O)CCNC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000320	1	40	0.0	-15.38	343.79	1.45	-13.93
CCCC(NC(=O)CCCNC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000321	1	46	0.0	-15.70	380.33	3.60	-12.10
CCCC(NC(=O)CC1=CC(C(C)=O)=CC=C1OC)C1=NNN=N1	REAL000000000322	1	45	0.0	-13.96	366.04	3.88	-10.08
CCCC(NC(=O)CCC1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000000323	1	45	0.0	-9.96	366.64	6.56	-3.40
CCCC(NC(=O)CCC1=CC=CC(OC)=C1OC)C1=NNN=N1	REAL000000000324	1	47	0.0	-13.22	382.80	4.41	-8.81
CCCC(NC(=O)C1=CC=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000000325	1	43	0.0	-9.32	346.03	4.89	-4.43
CCCC(NC(=O)C1=CC(Br)=CC=C1F)C1=NNN=N1	REAL000000000326	1	33	0.0	-11.54	303.57	4.35	-7.18
CCCC(NC(=O)C(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000327	1	45	0.0	-20.16	385.94	0.82	-19.34
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000000328	1	42	0.0	-18.91	377.26	0.44	-18.47
CCCC(NC(=O)CSCC1=C(C)ON=C1C)C1=NNN=N1	REAL000000000329	1	42	0.0	-16.72	363.91	4.49	-12.23
CCCC(NC(=O)C1=C(CSC)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000000330	1	43	0.0	-10.91	371.45	5.95	-4.96
CCCC(NC(=O)CCCNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000331	1	48	0.0	-25.10	410.04	1.44	-23.65
CCCC(NC(=O)C1=CC(Cl)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000332	1	41	0.0	-10.77	356.33	3.55	-7.22
CCCC(NC(=O)CSCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000333	1	40	0.0	-10.97	346.02	5.44	-5.54
CCCC(NC(=O)CSCC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000000334	1	43	0.0	-13.30	368.19	6.37	-6.92
CCCC(NC(=O)C1=CC=C(C=NOC)C=C1)C1=NNN=N1	REAL000000000335	1	40	0.0	-9.27	333.99	3.44	-5.82
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000336	1	54	0.0	-14.15	435.74	6.61	-7.54
CCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000337	1	50	0.0	-10.49	421.54	6.23	-4.26
CCCC(NC(=O)C1CC(=O)N(C(C)C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000000338	1	50	0.0	-12.73	390.52	5.81	-6.93
CCCC(NC(=O)CC1=CC=C2CCCCC2=C1)C1=NNN=N1	REAL000000000339	1	46	0.0	-11.75	365.06	6.82	-4.92
CCCC(NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000340	1	50	0.0	-19.89	426.61	3.42	-16.48
CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCCC	REAL000000000341	1	53	0.0	-13.30	423.05	6.37	-6.94
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)O1)C1=NNN=N1	REAL000000000342	1	44	0.0	-13.55	382.81	6.91	-6.64
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCCOC)=C1)C1=NNN=N1	REAL000000000343	1	48	0.0	-20.02	408.71	-0.23	-20.25
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000344	1	50	0.0	-13.36	421.73	7.95	-5.41
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000000345	1	48	0.0	-14.17	412.23	6.01	-8.15
CCCCOC1=CC=C(C(=O)NCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000346	1	53	0.0	-12.40	430.96	4.00	-8.40
CCCC(NC(=O)CSCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000347	1	40	0.0	-13.42	368.08	6.32	-7.10
CCCC(NC(=O)CCCC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000348	1	44	0.0	-16.34	376.92	5.34	-11.00
CCCC(NC(=O)C(C)NC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000349	1	43	0.0	-9.01	365.81	3.19	-5.82
CCCC(NC(=O)CCCNC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000350	1	46	0.0	-14.67	397.05	4.11	-10.56
CCCC(NC(=O)CN1C(=O)C2CCCCC2C1=O)C1=NNN=N1	REAL000000000351	1	46	0.0	-15.02	370.32	3.62	-11.40
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000000352	1	50	0.0	-11.48	405.72	8.28	-3.21
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000353	1	50	0.0	-13.56	401.20	5.42	-8.14
CCCC(NC(=O)CCCOC1=CC=C(Cl)C(C)=C1)C1=NNN=N1	REAL000000000354	1	46	0.0	-10.40	381.99	5.52	-4.88
CCCC(NC(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000355	1	39	0.0	-15.79	349.07	5.47	-10.32
CCCC(NC(=O)CCC(=O)C1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000356	1	48	0.0	-10.00	387.94	4.90	-5.10
CCCC(NC(=O)COC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000000357	1	43	0.0	-16.28	357.29	6.46	-9.82
CCCC(NC(=O)CCSC1=CC=CC=C1)C1=NNN=N1	REAL000000000358	1	40	0.0	-10.76	342.55	5.60	-5.16
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000359	1	53	0.0	-17.98	421.38	7.54	-10.44
CCCC(NC(=O)CCSC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000360	1	43	0.0	-8.04	356.78	5.95	-2.09
CCCC(NC(=O)COC1=CC=C2C(C)=CC(=O)OC2=C1)C1=NNN=N1	REAL000000000361	1	45	0.0	-26.05	377.10	6.30	-19.75
CCCC(NC(=O)C(CC)OC1=CC=CC=C1)C1=NNN=N1	REAL000000000362	1	43	0.0	-13.87	343.74	5.41	-8.45
CCCC(NC(=O)CSC1=NN=NN1C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000363	1	48	0.0	-11.78	405.31	5.44	-6.34
CCCC(NC(=O)CSC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NNN=N1	REAL000000000364	1	42	0.0	-12.13	392.24	1.39	-10.74
CCCC(NC(=O)C1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000000365	1	37	0.0	-12.15	316.88	3.24	-8.90
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000366	1	50	0.0	-17.92	416.94	1.89	-16.04
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000367	1	47	0.0	-16.43	394.87	1.26	-15.17
CCCC(NC(=O)COC1=CC(C)=CC=C1Cl)C1=NNN=N1	REAL000000000368	1	40	0.0	-15.83	348.71	5.44	-10.39
CCCC(NC(=O)COC1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000000369	1	44	0.0	-14.67	356.80	6.14	-8.53
CCCC(NC(=O)CC1OC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000370	1	40	0.0	-19.15	339.66	5.21	-13.94
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C)C1=NNN=N1	REAL000000000371	1	43	0.0	-9.69	357.52	5.65	-4.04
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000000372	1	38	0.0	-9.92	351.86	4.68	-5.24
CCCC(NC(=O)C1=CC=C2SCC(=O)NC2=C1)C1=NNN=N1	REAL000000000373	1	39	0.0	-14.23	337.69	2.69	-11.54
CCCCN1C(=O)C2=CC=C(C(=O)NC(CCC)C3=NNN=N3)C=C2C1=O	REAL000000000374	1	49	0.0	-11.99	401.22	5.14	-6.86
CCCOC1=CC=C(OCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000375	1	47	0.0	-14.85	384.12	5.26	-9.59
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C1=NNN=N1	REAL000000000376	1	49	0.0	-13.23	398.87	0.91	-12.32
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C1=NNN=N1	REAL000000000377	1	51	0.0	-11.86	407.62	3.34	-8.52
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C1=NNN=N1	REAL000000000378	1	50	0.0	-15.69	414.42	3.40	-12.29
CCCC(NC(=O)CSC1=CC=C(Br)C=C1C)C1=NNN=N1	REAL000000000379	1	40	0.0	-11.77	360.66	6.00	-5.77
CCCC(NC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000381	1	47	0.0	-13.80	380.06	4.75	-9.04
CCCC(NC(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000382	1	39	0.0	-20.14	333.12	4.44	-15.71
CCCC(NC(=O)C1CCC(C(C)(C)C)CC1)C1=NNN=N1	REAL000000000383	1	51	0.0	-8.58	365.78	5.81	-2.78
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000000384	1	38	0.0	-11.67	308.83	4.51	-7.15
CCCC(NC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000000385	1	49	0.0	-11.64	391.16	8.22	-3.42
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Cl)C1=NNN=N1	REAL000000000386	1	33	0.0	-9.46	302.93	4.30	-5.16
CCCC(NC(=O)COC1=CC(C)=CC(C)=C1)C1=NNN=N1	REAL000000000387	1	43	0.0	-14.30	354.09	5.57	-8.73
CCCC(NC(=O)COC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000388	1	40	0.0	-16.23	349.98	5.22	-11.00
CCCC(NC(=O)COC1=CC=CC=C1OC)C1=NNN=N1	REAL000000000389	1	41	0.0	-17.72	340.52	4.00	-13.72
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000390	1	48	0.0	-15.04	395.31	1.40	-13.64
CCCC(NC(=O)CNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000391	1	52	0.0	-11.76	412.81	4.49	-7.27
CCCC(NC(=O)COC1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000392	1	43	0.0	-14.40	349.67	5.43	-8.97
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000393	1	44	0.0	-16.43	377.86	0.72	-15.71
CCCC(NC(=O)COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000394	1	49	0.0	-17.45	407.84	7.47	-9.97
CCCC(NC(=O)C1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000000395	1	41	0.0	-10.69	327.30	3.08	-7.61
CCCC(NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000396	1	38	0.0	-11.00	321.27	1.53	-9.48
CCCC(NC(=O)COC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000397	1	37	0.0	-15.56	344.03	5.28	-10.28
CCCC(NC(=O)C1=CC=CC=C1Br)C1=NNN=N1	REAL000000000398	1	33	0.0	-11.85	294.00	4.29	-7.57
CCCC(NC(=O)CN1C=NC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000399	1	41	0.0	-17.92	340.82	4.51	-13.41
CCCC(NC(=O)CCC(=O)N1CCOCC1)C1=NNN=N1	REAL000000000400	1	44	0.0	-12.24	352.33	1.26	-10.98
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000000401	1	41	0.0	-10.42	344.22	4.10	-6.33
CCCC(NC(=O)CNC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000000402	1	43	0.0	-11.71	375.41	3.15	-8.56
CCCC(NC(=O)CNC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000000403	1	40	0.0	-11.03	368.58	3.13	-7.89
CCCC(NC(=O)CNC(=O)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000000404	1	44	0.0	-14.39	366.18	1.46	-12.93
CCCC(NC(=O)CNC(=O)C1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000000405	1	43	0.0	-14.40	362.72	0.83	-13.56
CCCC(NC(=O)CNC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000406	1	52	0.0	-14.88	428.49	1.35	-13.53
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)O1)C1=NNN=N1	REAL000000000407	1	37	0.0	-8.84	335.43	0.55	-8.29
CCCC(NC(=O)CNC(=O)C1=CC(OC)=CC(OC)=C1)C1=NNN=N1	REAL000000000408	1	48	0.0	-12.17	388.45	0.44	-11.73
CCCC(NC(=O)CNC(=O)C1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000409	1	47	0.0	-10.70	380.77	2.09	-8.61
CCCC(NC(=O)C1CCCN(C(=O)OCC)C1)C1=NNN=N1	REAL000000000410	1	47	0.0	-9.72	366.34	3.15	-6.56
CCCC(NC(=O)CCN1C2=CC=CC=C2SC2=CC=CC=C21)C1=NNN=N1	REAL000000000411	1	50	0.0	-13.77	408.79	8.18	-5.59
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000412	1	46	0.0	-11.29	371.99	5.51	-5.79
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000413	1	38	0.0	-16.38	330.58	4.99	-11.39
CCCC(NC(=O)CCSC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000000414	1	40	0.0	-8.46	350.37	5.73	-2.73
CCCC(NC(=O)CNC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=NNN=N1	REAL000000000415	1	45	0.0	-11.65	373.65	3.01	-8.64
CCCC(NC(=O)C1=C(C)C(C(=O)OCC)=C(C)N1)C1=NNN=N1	REAL000000000416	1	46	0.0	-15.32	382.44	4.32	-11.00
CCCC(NC(=O)CCN1C(=O)C2CCCCC2C1=O)C1=NNN=N1	REAL000000000417	1	49	0.0	-13.91	391.33	4.02	-9.90
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C)=C1)C1=NNN=N1	REAL000000000418	1	41	0.0	-13.06	335.50	4.64	-8.42
CCCC(NC(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000419	1	39	0.0	-17.24	340.45	5.52	-11.72
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000000420	1	45	0.0	-13.31	376.22	5.81	-7.50
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=N2)=C1)C1=NNN=N1	REAL000000000421	1	47	0.0	-13.19	388.08	6.15	-7.05
CCCC(NC(=O)CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000422	1	36	0.0	-8.95	316.46	4.61	-4.34
CCCC(NC(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000423	1	38	0.0	-18.56	322.97	4.68	-13.88
CCCC(NC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000424	1	37	0.0	-10.45	352.01	5.31	-5.13
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000425	1	44	0.0	-10.92	358.91	1.15	-9.76
CCCC(NC(=O)C1=CC(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000000426	1	39	0.0	-12.38	324.45	2.73	-9.64
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC)CC)=C1)C1=NNN=N1	REAL000000000427	1	50	0.0	-18.60	411.52	3.14	-15.46
CCCC(NC(=O)COC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000428	1	51	0.0	-16.20	422.53	7.49	-8.71
CCCC(NC(=O)CCOC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000429	1	43	0.0	-11.02	353.63	4.65	-6.36
CCCC(NC(=O)CCSC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000430	1	40	0.0	-10.14	359.28	6.13	-4.02
CCCC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000431	1	50	0.0	-13.07	420.75	5.46	-7.61
CCCC(NC(=O)COC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000432	1	41	0.0	-15.28	340.77	3.52	-11.76
CCCC(NC(=O)CCC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000433	1	41	0.0	-13.35	355.42	4.56	-8.80
CCCC(NC(=O)COC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000000434	1	37	0.0	-16.21	327.31	4.77	-11.45
CCCC(NC(=O)CCSC1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000435	1	46	0.0	-11.02	380.94	6.82	-4.20
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1)C1=NNN=N1	REAL000000000436	1	39	0.0	-13.51	332.48	4.31	-9.20
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000437	1	47	0.0	-12.65	389.00	6.94	-5.71
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000000438	1	47	0.0	-14.71	388.97	6.94	-7.77
CCCC(NC(=O)CC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000439	1	43	0.0	-12.95	353.71	4.57	-8.38
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2C)C(C)=C1)C1=NNN=N1	REAL000000000440	1	50	0.0	-8.55	397.22	8.15	-0.39
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000441	1	41	0.0	-21.34	354.04	2.25	-19.08
CCCC(NC(=O)COC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000442	1	44	0.0	-15.14	362.63	4.46	-10.68
CCCC(NC(=O)C1=CC=C2SC(C)C(=O)NC2=C1)C1=NNN=N1	REAL000000000443	1	42	0.0	-13.68	357.16	3.40	-10.28
CCCC(NC(=O)COC1=CC=C2C=CC(=O)OC2=C1)C1=NNN=N1	REAL000000000444	1	42	0.0	-26.33	358.97	5.72	-20.61
CCCC(NC(=O)C=CC1=CC=C(OCC#N)C(OC)=C1)C1=NNN=N1	REAL000000000445	1	46	0.0	-20.73	392.10	4.79	-15.94
CCCC(NC(=O)CCC(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000000446	1	47	0.0	-12.40	381.23	3.81	-8.59
CCCC(NC(=O)C1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000000447	1	39	0.0	-9.26	353.09	5.19	-4.07
CCCC(NC(=O)C1=CC=C(Cl)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000000448	1	38	0.0	-18.92	345.00	-0.84	-19.75
CCCC(NC(=O)CNC(=O)C1=CC(C)=CC(C)=C1)C1=NNN=N1	REAL000000000449	1	46	0.0	-12.31	379.51	3.49	-8.81
CCCC(NC(=O)CNC(=O)C1CCCCC1)C1=NNN=N1	REAL000000000450	1	46	0.0	-10.86	362.49	2.41	-8.44
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OCC)C1=NNN=N1	REAL000000000451	1	47	0.0	-13.08	378.70	3.32	-9.77
CCCC(NC(=O)CNC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000452	1	37	0.0	-9.81	321.66	0.81	-8.99
CCCC(NC(=O)C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1)C1=NNN=N1	REAL000000000453	1	47	0.0	-9.44	398.55	7.11	-2.33
CCCC(NC(=O)CNC(=O)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000000454	1	40	0.0	-13.16	343.12	2.23	-10.93
CCCC(NC(=O)C=CC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000455	1	37	0.0	-11.57	333.56	5.46	-6.10
CCCC(NC(=O)CNC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000456	1	54	0.0	-14.77	439.02	3.24	-11.53
CCCC(NC(=O)C1=NC(N2N=C(C)C=C2C)=CC=C1Cl)C1=NNN=N1	REAL000000000457	1	45	0.0	-11.78	388.88	6.10	-5.68
CCCC(NC(=O)C1=NN(CC)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000458	1	44	0.0	-11.66	363.57	4.02	-7.64
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000459	1	37	0.0	-12.06	337.60	5.31	-6.75
CCCC(NC(=O)CC1=CSC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000000460	1	42	0.0	-16.50	366.03	5.29	-11.21
CCCC(NC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C1=NNN=N1	REAL000000000461	1	47	0.0	-14.07	372.61	6.14	-7.93
CCCC(NC(=O)CCOC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000462	1	40	0.0	-10.28	353.52	4.59	-5.69
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1CC)C1=NNN=N1	REAL000000000463	1	46	0.0	-11.20	386.39	6.00	-5.20
CCCC(NC(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=NNN=N1	REAL000000000464	1	44	0.0	-13.09	348.14	4.47	-8.63
CCCC(NC(=O)C1=CC=C2NC3=C(CC(C)CC3)C2=C1)C1=NNN=N1	REAL000000000465	1	50	0.0	-14.00	393.40	6.75	-7.25
CCCC(NC(=O)C1=CC=CC(OCC(C)C)=C1)C1=NNN=N1	REAL000000000466	1	46	0.0	-9.37	363.47	5.06	-4.31
CCCC(NC(=O)C1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000000467	1	45	0.0	-7.17	351.66	6.01	-1.16
CCCC(NC(=O)C1=CC=C(C2CCCCC2)C=C1)C1=NNN=N1	REAL000000000468	1	49	0.0	-10.15	379.52	7.47	-2.68
CCCC(NC(=O)C1=CC=C(COC(C)C)C=C1)C1=NNN=N1	REAL000000000469	1	46	0.0	-8.37	367.72	4.77	-3.60
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C1=NNN=N1	REAL000000000470	1	41	0.0	-15.40	347.30	1.11	-14.29
CCCC(NC(=O)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000471	1	47	0.0	-18.60	381.23	5.97	-12.64
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000000472	1	47	0.0	-11.63	384.34	7.60	-4.03
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)C(C)=C1)C1=NNN=N1	REAL000000000473	1	47	0.0	-11.02	390.73	7.67	-3.34
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000474	1	39	0.0	-9.65	355.50	5.66	-3.99
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000000475	1	37	0.0	-9.60	323.62	3.46	-6.14
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000000476	1	45	0.0	-12.17	384.05	6.75	-5.42
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)C1=NNN=N1	REAL000000000478	1	48	0.0	-15.47	399.61	2.80	-12.67
CCCC(NC(=O)CCC(=O)N1CC(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000000479	1	48	0.0	-15.36	392.93	2.84	-12.52
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000000480	1	40	0.0	-14.74	326.53	2.23	-12.50
CCCC(NC(=O)CCCC1=CNC2=CC=CC=C12)C1=NNN=N1	REAL000000000481	1	46	0.0	-11.91	369.97	5.65	-6.27
CCCC(NC(=O)C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000482	1	33	0.0	-11.79	299.03	4.27	-7.52
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000483	1	40	0.0	-12.45	336.71	2.16	-10.29
CCCC(NC(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000484	1	33	0.0	-9.92	299.02	4.27	-5.65
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000000485	1	44	0.0	-14.68	366.02	1.33	-13.35
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000000486	1	44	0.0	-19.71	376.84	0.45	-19.26
CCCCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000487	1	56	0.0	-10.77	451.36	8.74	-2.03
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C(OC)=C1)C1=NNN=N1	REAL000000000488	1	45	0.0	-14.80	380.64	4.36	-10.45
CCCC(NC(=O)CCCOC1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000000489	1	48	0.0	-15.92	386.94	4.82	-11.09
CCCC(NC(=O)C1=CC=CC(N2C(=O)C3=CC=CC=C3C2=O)=C1)C1=NNN=N1	REAL000000000490	1	47	0.0	-20.51	392.86	6.31	-14.20
CCCC(NC(=O)C1=CC=C(OC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000491	1	47	0.0	-13.67	376.10	4.45	-9.22
CCCC(NC(=O)C1=CC=C(OCCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000492	1	53	0.0	-13.43	418.77	5.94	-7.49
CCCCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000493	1	56	0.0	-13.48	444.19	6.99	-6.49
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C(OC)=C1)C1=NNN=N1	REAL000000000494	1	51	0.0	-15.01	418.11	6.86	-8.14
CCCC(NC(=O)CN1C(=O)COC2=CC=CC=C21)C1=NNN=N1	REAL000000000495	1	42	0.0	-18.69	348.85	3.10	-15.59
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000000496	1	44	0.0	-14.87	373.07	0.40	-14.46
CCCC(NC(=O)CCNS(=O)(=O)C1=C(C)C=C(C)C=C1C)C1=NNN=N1	REAL000000000497	1	53	0.0	-15.66	422.60	2.72	-12.95
CCCC(NC(=O)C1CCN(C(=O)C=CC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000000498	1	54	0.0	-19.23	427.95	6.99	-12.23
CCCC(NC(=O)CCCNS(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000499	1	47	0.0	-14.91	399.23	1.22	-13.69
CCCC(NC(=O)COC1=CC=CC=C1CC)C1=NNN=N1	REAL000000000500	1	43	0.0	-10.37	345.78	5.27	-5.10
CCCC(NC(=O)COC1=CC=CC=C1CC1=CC=CC=C1)C1=NNN=N1	REAL000000000501	1	50	0.0	-14.21	410.76	8.71	-5.50
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000502	1	51	0.0	-11.37	403.42	5.30	-6.07
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=C2Cl)C1)C1=NNN=N1	REAL000000000503	1	47	0.0	-13.45	395.19	5.45	-8.00
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2CC)C1)C1=NNN=N1	REAL000000000504	1	50	0.0	-15.54	393.63	6.06	-9.47
CCCC(NC(=O)CSCC(=O)NC1=NOC(C)=C1)C1=NNN=N1	REAL000000000505	1	43	0.0	-21.54	376.45	3.16	-18.38
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000000506	1	49	0.0	-21.01	415.15	1.10	-19.91
CCCC(NC(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000000507	1	39	0.0	-15.47	340.95	1.28	-14.19
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C1=NNN=N1	REAL000000000508	1	42	0.0	-15.79	354.47	1.88	-13.91
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000000509	1	46	0.0	-24.32	396.94	0.45	-23.88
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCCC#N)C=C1)C1=NNN=N1	REAL000000000510	1	45	0.0	-22.19	396.15	1.18	-21.00
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CC)C1=NNN=N1	REAL000000000511	1	41	0.0	-17.93	343.46	3.00	-14.94
CCCC(NC(=O)C(C)SC1=CC=CC=C1)C1=NNN=N1	REAL000000000512	1	40	0.0	-11.54	339.54	5.25	-6.29
CCCC(NC(=O)C1=CC(Cl)=C(OCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000513	1	50	0.0	-10.38	419.79	5.97	-4.41
CCCC(NC(=O)C1=CC=C(N(C)C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000514	1	43	0.0	-14.11	350.77	4.62	-9.50
CCCC(NC(=O)CSCC(=O)NC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000515	1	47	0.0	-22.31	401.80	4.64	-17.67
CCCC(NC(=O)CCC(=O)C1=CC=C2OCCCOC2=C1)C1=NNN=N1	REAL000000000516	1	50	0.0	-14.49	406.74	4.93	-9.56
CCCC(NC(=O)C=CC1=CC=C(OC(F)F)C(OCC)=C1)C1=NNN=N1	REAL000000000517	1	48	0.0	-14.60	402.49	5.28	-9.32
CCCC(NC(=O)C(C)SCC(=O)NC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000518	1	47	0.0	-18.72	397.83	4.29	-14.43
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=NNN=N1	REAL000000000519	1	44	0.0	-11.90	373.74	5.09	-6.80
CCCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000520	1	50	0.0	-10.43	421.18	6.09	-4.33
CCCC(NC(=O)CSC(C)C(=O)NC1=NOC(C)=C1)C1=NNN=N1	REAL000000000521	1	46	0.0	-20.90	395.01	3.73	-17.17
CCCC(NC(=O)C(C)SCC(=O)NC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000522	1	50	0.0	-18.24	413.16	4.88	-13.37
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000000523	1	46	0.0	-19.46	404.53	3.28	-16.18
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000524	1	41	0.0	-16.23	362.85	0.12	-16.12
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000525	1	44	0.0	-16.54	384.90	0.75	-15.79
CCCC(NC(=O)CNS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C1=NNN=N1	REAL000000000526	1	53	0.0	-15.01	417.03	2.63	-12.38
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000000527	1	41	0.0	-15.88	354.78	-0.18	-16.06
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000000528	1	44	0.0	-18.25	379.32	0.73	-17.51
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000529	1	54	0.0	-11.11	428.88	6.42	-4.69
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F)C1=NNN=N1	REAL000000000530	1	42	0.0	-18.04	367.15	5.42	-12.62
CCCC(NC(=O)CCC(=O)C1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000000531	1	47	0.0	-8.90	379.69	6.07	-2.83
CCCC(NC(=O)CCC(=O)C1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000532	1	55	0.0	-12.37	439.08	5.74	-6.62
CCCC(NC(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000533	1	38	0.0	-17.58	321.88	4.84	-12.74
CCCC(NC(=O)C1=CC(OC)=C(C)C(OC)=C1)C1=NNN=N1	REAL000000000534	1	44	0.0	-11.82	355.35	3.11	-8.71
CCCC(NC(=O)CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000535	1	45	0.0	-18.89	379.82	3.13	-15.75
CCCC(NC(=O)CCC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000536	1	47	0.0	-13.97	382.50	4.36	-9.61
CCCC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000000537	1	57	0.0	-19.00	423.63	4.72	-14.28
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000538	1	41	0.0	-18.03	370.43	-0.33	-18.37
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000000539	1	47	0.0	-17.35	402.42	2.29	-15.07
CCCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C1=NNN=N1	REAL000000000540	1	51	0.0	-15.91	400.01	3.17	-12.74
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000542	1	43	0.0	-10.43	342.12	5.10	-5.34
CCCC(NC(=O)C(C)OC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000000543	1	43	0.0	-14.19	350.11	5.48	-8.70
CCCC(NC(=O)CSC1=CC=C(C(N)=O)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000544	1	43	0.0	-29.20	378.77	2.10	-27.10
CCCC(NC(=O)C1=NN(CC(C)C)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000545	1	50	0.0	-11.13	399.23	5.29	-5.84
CCCCCN1N=C(C(=O)NC(CCC)C2=NNN=N2)C2=CC=CC=C2C1=O	REAL000000000546	1	53	0.0	-9.33	420.88	6.03	-3.30
CCCC(NC(=O)C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)C1=NNN=N1	REAL000000000547	1	50	0.0	-19.00	401.06	3.77	-15.23
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2OCC)C1)C1=NNN=N1	REAL000000000548	1	51	0.0	-19.14	416.15	5.20	-13.94
CCCC(NC(=O)C1=CC=C(NC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000549	1	40	0.0	-17.85	335.43	3.34	-14.52
CCCC(NC(=O)C=CC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000000550	1	46	0.0	-10.48	372.41	6.77	-3.71
CCCC(NC(=O)CCC(=O)N1CCC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000000551	1	50	0.0	-12.20	407.83	5.12	-7.08
CCCC(NC(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=NNN=N1	REAL000000000552	1	44	0.0	-14.31	364.82	4.16	-10.15
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1C)C1=NNN=N1	REAL000000000553	1	41	0.0	-15.58	348.00	-0.70	-16.28
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1F)C1=NNN=N1	REAL000000000554	1	38	0.0	-15.28	329.30	-1.63	-16.92
CCCC(NC(=O)CCCNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000000555	1	53	0.0	-15.30	431.23	2.36	-12.93
CCCC(NC(=O)C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000556	1	40	0.0	-10.02	356.84	5.93	-4.09
CCCC(NC(=O)C=CC1=CC(Cl)=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000000557	1	48	0.0	-12.81	412.73	5.68	-7.12
CCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000558	1	47	0.0	-8.01	392.50	4.98	-3.03
CCCC(NC(=O)C1=CC(Cl)=C(OCCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000559	1	53	0.0	-10.36	438.75	6.62	-3.74
CCCCOC1=C(Cl)C=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000560	1	53	0.0	-10.40	443.04	7.02	-3.39
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000000561	1	46	0.0	-18.73	390.52	0.15	-18.59
CCCC(NC(=O)C=CC1=CC=C(Br)S1)C1=NNN=N1	REAL000000000562	1	34	0.0	-9.36	324.14	4.67	-4.70
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000000563	1	41	0.0	-15.15	355.67	-0.21	-15.35
CCCC(NC(=O)CN1C=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000000564	1	36	0.0	-18.93	323.92	2.73	-16.19
CCCC(NC(=O)C1=CC=C(N2C(C)=CC=C2C)C=C1)C1=NNN=N1	REAL000000000565	1	47	0.0	-11.64	385.69	7.69	-3.95
CCCC(NC(=O)CCC1=CC=CC=C1OC)C1=NNN=N1	REAL000000000566	1	43	0.0	-11.79	352.07	4.50	-7.29
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(CC)C=C2)C1)C1=NNN=N1	REAL000000000567	1	50	0.0	-20.01	398.69	6.15	-13.86
CCCC(NC(=O)COC(C1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000000568	1	50	0.0	-15.33	415.21	8.51	-6.81
CCCC(NC(=O)CSCC1=CC=CS1)C1=NNN=N1	REAL000000000569	1	37	0.0	-10.04	329.82	4.46	-5.58
CCCC(NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000000570	1	59	0.0	-19.58	435.06	3.40	-16.18
CCCC(NC(=O)C1=NN(C2=CC=CC(C)=C2)C(=O)CC1)C1=NNN=N1	REAL000000000571	1	47	0.0	-12.59	388.44	4.98	-7.61
CCCC(NC(=O)C=CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000572	1	37	0.0	-10.70	333.55	5.46	-5.24
CCCC(NC(=O)CCSC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000573	1	40	0.0	-10.59	348.95	5.67	-4.92
CCCC(NC(=O)CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)C1=NNN=N1	REAL000000000574	1	49	0.0	-18.63	406.57	3.59	-15.04
CCCC(NC(=O)CSC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000575	1	40	0.0	-9.32	335.10	5.14	-4.18
CCCC(NC(=O)CSC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000000576	1	43	0.0	-12.21	360.78	6.05	-6.16
CCCC(NC(=O)C1=CC2=C(CCCC2=O)NC1=O)C1=NNN=N1	REAL000000000577	1	42	0.0	-22.61	345.54	2.41	-20.20
CCCC(NC(=O)CN1C(=O)OC2=CC(S(N)(=O)=O)=CC=C21)C1=NNN=N1	REAL000000000578	1	44	0.0	-27.82	390.00	-0.81	-28.62
CCCC(NC(=O)CN1C(=O)C2=CC=C(C)C=C2C1=O)C1=NNN=N1	REAL000000000579	1	43	0.0	-17.60	368.95	4.18	-13.42
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1C)C1=NNN=N1	REAL000000000580	1	47	0.0	-12.04	382.90	1.98	-10.07
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000000581	1	48	0.0	-20.94	396.23	1.59	-19.34
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000000582	1	45	0.0	-18.83	388.16	1.22	-17.61
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000000583	1	38	0.0	-14.01	324.72	-1.71	-15.72
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CC=C1Cl)C1=NNN=N1	REAL000000000584	1	41	0.0	-15.86	366.83	0.36	-15.50
CCCC(NC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000000585	1	44	0.0	-14.09	371.01	1.55	-12.54
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1)C1=NNN=N1	REAL000000000586	1	50	0.0	-18.38	400.47	1.62	-16.76
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCC)=C1)C1=NNN=N1	REAL000000000587	1	44	0.0	-14.97	368.16	0.36	-14.61
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=NNN=N1	REAL000000000588	1	47	0.0	-16.01	392.55	1.25	-14.76
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1)C1=NNN=N1	REAL000000000589	1	50	0.0	-12.31	393.24	1.31	-11.00
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000590	1	46	0.0	-17.16	392.50	1.47	-15.68
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000000591	1	48	0.0	-16.67	400.32	0.99	-15.68
CCCC(NC(=O)C(C)OC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000000592	1	41	0.0	-12.73	341.53	4.83	-7.90
CCCC(NC(=O)C1=CC(C(=O)OCC)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000593	1	44	0.0	-12.42	382.52	5.90	-6.51
CCCC(NC(=O)C=CC1=CC=C(OC)C(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000000594	1	49	0.0	-20.87	408.83	0.91	-19.95
CCCC(NC(=O)CCC(=O)C1=CC=C2CCCCC2=C1)C1=NNN=N1	REAL000000000595	1	51	0.0	-11.22	406.72	7.47	-3.75
CCCC(NC(=O)CN1C(=O)C2=C(N=CN2C)N(C)C1=O)C1=NNN=N1	REAL000000000596	1	45	0.0	-17.74	369.01	4.35	-13.39
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000597	1	40	0.0	-10.35	327.14	4.49	-5.86
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000000598	1	44	0.0	-17.24	391.22	0.82	-16.43
CCCC(NC(=O)CCC(=O)C1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000000599	1	48	0.0	-9.55	382.34	6.56	-2.99
CCCC(NC(=O)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)C1=NNN=N1	REAL000000000600	1	47	0.0	-18.33	393.44	-0.21	-18.54
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000000601	1	40	0.0	-11.48	350.95	5.84	-5.63
CCCC(NC(=O)CN1C(=O)NC(CC)(CC)C1=O)C1=NNN=N1	REAL000000000602	1	47	0.0	-16.73	379.40	2.22	-14.50
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2C)C(=O)CC1)C1=NNN=N1	REAL000000000604	1	50	0.0	-11.34	398.42	5.56	-5.78
CCCC(NC(=O)CSC1=NN=C(C2=CC=CO2)N1CC)C1=NNN=N1	REAL000000000605	1	46	0.0	-15.54	401.27	5.81	-9.74
CCCC(NC(=O)CSC1=NN=C(C2=CC=CS2)N1CC)C1=NNN=N1	REAL000000000606	1	46	0.0	-14.87	406.06	6.53	-8.35
CCCC(NC(=O)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1)C1=NNN=N1	REAL000000000607	1	47	0.0	-14.77	398.87	4.72	-10.04
CCCC(NC(=O)CSCC(=O)N1CCOCC1)C1=NNN=N1	REAL000000000608	1	45	0.0	-22.05	375.18	1.88	-20.17
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000609	1	44	0.0	-14.10	388.06	0.86	-13.24
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000610	1	52	0.0	-10.03	396.90	6.77	-3.26
CCCC(NC(=O)CSC1=NN=C(C)N1CC1=CC=CC=C1)C1=NNN=N1	REAL000000000611	1	49	0.0	-15.93	417.64	7.59	-8.34
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000612	1	45	0.0	-17.81	384.45	3.68	-14.13
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC(C)=C1)C1=NNN=N1	REAL000000000613	1	46	0.0	-13.12	377.66	3.67	-9.44
CCCC(NC(=O)C(C)OC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000614	1	40	0.0	-13.24	349.21	5.47	-7.77
CCCC(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000000615	1	57	0.0	-10.18	416.26	4.73	-5.45
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O)C1=NNN=N1	REAL000000000616	1	57	0.0	-15.87	435.69	3.74	-12.13
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=NNN=N1	REAL000000000617	1	50	0.0	-10.99	411.28	6.85	-4.14
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000618	1	46	0.0	-11.29	373.71	5.40	-5.88
CCCC(NC(=O)CCOC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000619	1	44	0.0	-11.78	361.73	3.27	-8.51
CCCC(NC(=O)CCOC1=CC=CC=C1C)C1=NNN=N1	REAL000000000620	1	43	0.0	-11.14	352.30	4.73	-6.42
CCCC(NC(=O)COC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000621	1	37	0.0	-13.68	332.57	4.84	-8.84
CCCC(NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000622	1	47	0.0	-15.39	385.44	7.66	-7.73
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC)C=C1)C1=NNN=N1	REAL000000000623	1	44	0.0	-16.30	375.33	0.69	-15.62
C=CCNS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000624	1	45	0.0	-16.18	388.13	1.22	-14.96
CCCC(NC(=O)CC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000000625	1	42	0.0	-13.36	348.47	6.57	-6.80
CCCC(NC(=O)CCC(=O)C1=CC=C(SC)C=C1)C1=NNN=N1	REAL000000000626	1	45	0.0	-11.79	382.88	5.94	-5.85
CCCOC1=C(Cl)C=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000627	1	51	0.0	-10.05	427.03	6.17	-3.88
CCCC(NC(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000000628	1	37	0.0	-11.16	334.83	5.42	-5.75
CCCC(NC(=O)C=CC1=CC=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000000629	1	37	0.0	-10.59	348.35	5.91	-4.67
CCCC(NC(=O)C(C)OC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000630	1	40	0.0	-14.89	345.43	5.32	-9.57
CCCC(NC(=O)C=CC1=CC=CC=C1Br)C1=NNN=N1	REAL000000000631	1	37	0.0	-9.43	323.30	5.03	-4.40
CCCC(NC(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000000632	1	37	0.0	-10.93	343.06	5.77	-5.17
CCCC(NC(=O)C1=C(C)N(C(C)C)C(C)=C1)C1=NNN=N1	REAL000000000633	1	46	0.0	-8.58	347.79	5.06	-3.52
CCCC(NC(=O)C1CCN(C(=O)OCC)CC1)C1=NNN=N1	REAL000000000634	1	47	0.0	-12.79	366.03	3.19	-9.60
CCCC(NC(=O)COC1=CC=C(Br)C=C1F)C1=NNN=N1	REAL000000000635	1	37	0.0	-13.33	331.57	4.48	-8.85
CCCC(NC(=O)COC1=CC=CC=C1C(C)C)C1=NNN=N1	REAL000000000636	1	46	0.0	-13.86	369.89	6.21	-7.65
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000637	1	53	0.0	-13.48	423.05	6.34	-7.14
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000000638	1	57	0.0	-14.04	457.59	7.53	-6.51
CCCC(NC(=O)C=CC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000639	1	39	0.0	-11.90	347.19	4.55	-7.35
CCCC(NC(=O)C=CC1=CC=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000000640	1	42	0.0	-12.62	356.04	5.46	-7.16
CCCC(NC(=O)COC1=C(C)C=CC=C1C)C1=NNN=N1	REAL000000000641	1	43	0.0	-12.90	353.02	5.69	-7.21
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2C(C)CC)C1)C1=NNN=N1	REAL000000000642	1	56	0.0	-18.31	441.32	8.00	-10.31
CCCC(NC(=O)CCNC(=O)C1=CC=CO1)C1=NNN=N1	REAL000000000643	1	40	0.0	-18.70	343.06	0.78	-17.92
CCCC(NC(=O)CNC(=O)CC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000000644	1	49	0.0	-14.70	404.01	4.94	-9.76
CCCC(NC(=O)CCNC(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000645	1	43	0.0	-15.89	372.95	3.07	-12.82
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000646	1	44	0.0	-17.20	378.50	0.68	-16.52
CCCC(NC(=O)C(C)NC(=O)C=CC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000647	1	51	0.0	-13.14	420.21	3.51	-9.63
CCCC(NC(=O)COC1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000000648	1	37	0.0	-13.77	347.27	5.42	-8.35
CCCC(NC(=O)COC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000000649	1	38	0.0	-16.78	332.08	4.63	-12.15
CCCC(NC(=O)CSC1=C2C(C)=C(C)SC2=NC(C)=N1)C1=NNN=N1	REAL000000000650	1	47	0.0	-13.55	405.08	5.30	-8.25
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1OC	REAL000000000651	1	51	0.0	-14.20	414.24	5.83	-8.38
CCCC(NC(=O)CCC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000000652	1	39	0.0	-9.92	336.42	5.51	-4.41
CCCC(NC(=O)CCC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000653	1	39	0.0	-10.54	345.05	5.74	-4.79
CCCC(NC(=O)CNC(=O)C1=CC=C(OC(F)F)C(OC)=C1)C1=NNN=N1	REAL000000000654	1	48	0.0	-15.25	405.07	1.66	-13.58
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000655	1	45	0.0	-12.85	390.88	4.74	-8.11
CCCC(NC(=O)C1=CC=C(C2SCCS2)C=C1)C1=NNN=N1	REAL000000000656	1	42	0.0	-8.74	357.34	6.39	-2.35
CCCC(NC(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000000657	1	42	0.0	-18.92	355.55	1.53	-17.39
CCCC(NC(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=NNN=N1	REAL000000000658	1	38	0.0	-23.79	325.98	3.83	-19.96
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(=O)N2CC)C1=NNN=N1	REAL000000000659	1	45	0.0	-20.54	372.21	3.28	-17.26
CCCC(NC(=O)C=CC1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000660	1	51	0.0	-14.38	414.60	5.94	-8.44
CCCC(NC(=O)COC1=CC=C(C=O)C=C1OC)C1=NNN=N1	REAL000000000661	1	43	0.0	-23.23	363.67	3.74	-19.49
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C)=C1)C1=NNN=N1	REAL000000000662	1	50	0.0	-14.19	403.67	2.78	-11.41
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC(C)C)=C1)C1=NNN=N1	REAL000000000663	1	47	0.0	-18.89	394.58	1.34	-17.56
CCCC(NC(=O)CC1=CC=C(OCC2=C(C)ON=C2C)C=C1)C1=NNN=N1	REAL000000000664	1	52	0.0	-16.43	430.91	6.41	-10.03
CCCC(NC(=O)CSCC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000665	1	40	0.0	-13.46	363.51	6.21	-7.25
CCCC(NC(=O)CSCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000666	1	40	0.0	-13.45	363.51	6.21	-7.24
CCCC(NC(=O)C1=CC=C(CSC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000667	1	47	0.0	-12.39	399.32	8.55	-3.84
CCCC(NC(=O)C1=CC=CC(CSC2=CC=C(C)C=C2C)=C1)C1=NNN=N1	REAL000000000668	1	53	0.0	-13.36	439.24	9.80	-3.56
CCCC(NC(=O)C=CC1=CC=C(OCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000669	1	54	0.0	-14.06	434.34	6.49	-7.57
CCCC(NC(=O)CCC(=O)C1=C(C)SC(C)=C1)C1=NNN=N1	REAL000000000670	1	44	0.0	-10.42	375.39	5.57	-4.84
CCCC(NC(=O)CCCN1C(=O)OC2=CC=CC=C21)C1=NNN=N1	REAL000000000671	1	45	0.0	-17.88	371.16	5.12	-12.77
CCCC(NC(=O)CN1C(=O)OC2=CC=CC=C21)C1=NNN=N1	REAL000000000672	1	39	0.0	-18.84	335.82	4.24	-14.60
CCCC(NC(=O)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000673	1	44	0.0	-17.76	366.22	4.99	-12.77
CCCC(NC(=O)C1=CC=C(SCCC(C)C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000674	1	51	0.0	-18.07	423.32	8.15	-9.91
CCCC(NC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000675	1	46	0.0	-18.74	390.09	4.71	-14.02
CCCC(NC(=O)CNC(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000676	1	46	0.0	-17.99	384.90	2.60	-15.39
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000677	1	40	0.0	-11.24	357.99	2.77	-8.47
CCCC(NC(=O)CNC(=O)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000678	1	40	0.0	-12.55	353.43	2.67	-9.88
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC)CC)=C1)C1=NNN=N1	REAL000000000679	1	53	0.0	-19.23	416.78	3.66	-15.57
CCCC(NC(=O)C(C)SC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000680	1	40	0.0	-8.23	349.00	5.45	-2.78
CCCC(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=NNN=N1	REAL000000000681	1	45	0.0	-12.79	361.29	1.11	-11.68
CCCC(NC(=O)CSC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000682	1	37	0.0	-12.54	327.28	4.87	-7.67
CCCC(NC(=O)C1COC2=CC=CC=C2O1)C1=NNN=N1	REAL000000000683	1	39	0.0	-14.60	325.41	3.75	-10.84
CCCC(NC(=O)CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000684	1	42	0.0	-17.17	364.90	2.83	-14.34
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000000685	1	44	0.0	-12.67	366.08	1.35	-11.32
CCCC(NC(=O)COC1=CC=CC=C1OCC)C1=NNN=N1	REAL000000000686	1	44	0.0	-17.71	362.37	4.92	-12.79
CCCC(NC(=O)COC1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000000687	1	43	0.0	-13.90	354.16	5.66	-8.24
CCCC(NC(=O)COC1=CC=C(Cl)C(C)=C1)C1=NNN=N1	REAL000000000688	1	40	0.0	-13.83	346.72	5.34	-8.49
CCCC(NC(=O)COC1=CC=CC=C1C#N)C1=NNN=N1	REAL000000000689	1	38	0.0	-21.80	331.46	4.64	-17.16
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CO2)=C1)C1=NNN=N1	REAL000000000690	1	47	0.0	-17.04	385.28	4.26	-12.78
CCCC(NC(=O)CC12CC3CC(CC(Br)(C3)C1)C2)C1=NNN=N1	REAL000000000691	1	50	0.0	-10.01	377.79	6.79	-3.21
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000000692	1	41	0.0	-19.27	354.32	-0.16	-19.42
CCCC(NC(=O)CCNS(=O)(=O)C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000693	1	50	0.0	-18.71	414.66	2.25	-16.46
CCCC(NC(=O)COC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000694	1	37	0.0	-15.16	328.01	4.74	-10.42
C=CCC1=CC=C(OCC(=O)NC(CCC)C2=NNN=N2)C(OC)=C1	REAL000000000695	1	48	0.0	-17.28	396.22	5.98	-11.30
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000696	1	51	0.0	-12.75	426.18	6.19	-6.56
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)C)=C1)C1=NNN=N1	REAL000000000697	1	51	0.0	-16.53	414.69	0.79	-15.74
CCCC(NC(=O)C1=CC(S(=O)(=O)N(CC)CC)=CC=C1C)C1=NNN=N1	REAL000000000698	1	53	0.0	-12.75	430.52	4.08	-8.67
CCCC(NC(=O)CSC(C)C1=NC2=CC=CC=C2N1)C1=NNN=N1	REAL000000000699	1	46	0.0	-19.95	391.29	4.84	-15.10
CCCC(NC(=O)C=CC1=CN(CCC#N)C2=CC=CC=C12)C1=NNN=N1	REAL000000000700	1	48	0.0	-20.29	409.94	8.04	-12.25
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000000701	1	49	0.0	-19.91	418.97	1.08	-18.84
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C1=NNN=N1	REAL000000000702	1	39	0.0	-18.57	350.92	1.71	-16.86
CCCC(NC(=O)C=CC1=CC(OC)=C(OC)C=C1OC)C1=NNN=N1	REAL000000000703	1	49	0.0	-15.84	398.53	3.45	-12.39
CCCC(NC(=O)C1=CC(S(=O)(=O)NCC)=CC=C1C)C1=NNN=N1	REAL000000000704	1	47	0.0	-13.21	391.42	1.37	-11.84
CCCC(NC(=O)C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1)C1=NNN=N1	REAL000000000705	1	50	0.0	-18.49	402.09	6.80	-11.69
CCCC(NC(=O)CSC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000706	1	39	0.0	-12.48	356.07	4.45	-8.02
CCCC(NC(=O)C1CCN(C(=O)NC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000000707	1	52	0.0	-17.07	408.41	5.37	-11.70
CCCC(NC(=O)CC1=COC2=CC(C)=C(C(C)C)C=C12)C1=NNN=N1	REAL000000000708	1	51	0.0	-11.83	400.61	6.84	-4.99
CCCC(NC(=O)CC1=COC2=CC(C)=CC=C12)C1=NNN=N1	REAL000000000709	1	42	0.0	-12.11	344.46	5.04	-7.07
CCCC(NC(=O)CC1=COC2=CC(CC)=CC=C12)C1=NNN=N1	REAL000000000710	1	45	0.0	-14.68	373.13	6.13	-8.55
CCCC(NC(=O)CC1=COC2=C1C1=CC=CC=C1C=C2)C1=NNN=N1	REAL000000000711	1	45	0.0	-16.48	371.67	6.77	-9.71
CCCC(NC(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=NNN=N1	REAL000000000712	1	46	0.0	-15.30	375.82	6.61	-8.68
CCCC(NC(=O)COC1=CC=C(Cl)C=C1Br)C1=NNN=N1	REAL000000000713	1	37	0.0	-15.37	348.42	5.39	-9.98
CCCC(NC(=O)COC1=CC=C(F)C=C1Br)C1=NNN=N1	REAL000000000714	1	37	0.0	-12.41	330.87	4.51	-7.91
CCCC(NC(=O)COC1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000000715	1	42	0.0	-22.50	354.04	4.72	-17.78
CCCC(NC(=O)CSC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000000716	1	37	0.0	-11.99	342.17	5.42	-6.57
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000717	1	39	0.0	-17.70	339.47	4.89	-12.80
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OC(F)F)C1=NNN=N1	REAL000000000718	1	44	0.0	-15.49	373.78	2.99	-12.50
CCCC(NC(=O)C(C)NC(=O)NC1=CC=CC=C1)C1=NNN=N1	REAL000000000719	1	45	0.0	-12.62	370.74	2.27	-10.35
CCCC(NC(=O)CC1=COC2=C(C)C(C)=CC=C12)C1=NNN=N1	REAL000000000720	1	45	0.0	-12.36	362.12	5.61	-6.75
CCCC(NC(=O)C1=CC=C(COC2=CC=C3C=CC=CC3=C2)O1)C1=NNN=N1	REAL000000000721	1	50	0.0	-13.75	419.76	7.34	-6.41
CCCC(NC(=O)C=CC1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000000722	1	43	0.0	-10.99	349.54	3.68	-7.31
CCCC(NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000723	1	45	0.0	-31.37	388.55	0.64	-30.73
CCCC(NC(=O)C=CC1=CC=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000000724	1	48	0.0	-11.50	385.50	4.69	-6.81
CCCC(NC(=O)C1=CC(Cl)=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000000725	1	44	0.0	-8.16	371.00	4.17	-3.99
CCCC(NC(=O)C=CC1=CC(Cl)=C(OC)C(OCC)=C1)C1=NNN=N1	REAL000000000726	1	48	0.0	-10.02	405.53	5.33	-4.69
CCCC(NC(=O)C1=CC=C(SC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000727	1	39	0.0	-18.75	341.29	5.19	-13.56
CCCC(NC(=O)CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000729	1	51	0.0	-10.90	418.13	4.68	-6.22
CCCC(NC(=O)CNC(=O)C1=CC=C(C)S1)C1=NNN=N1	REAL000000000730	1	40	0.0	-12.07	350.65	1.94	-10.14
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=NNN=N1	REAL000000000731	1	40	0.0	-10.36	342.71	5.20	-5.16
CCCC(NC(=O)CN1C(=O)NC(C)(C)C1=O)C1=NNN=N1	REAL000000000732	1	41	0.0	-17.04	344.65	0.26	-16.78
CCCC(NC(=O)CCCOC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000733	1	47	0.0	-11.83	376.05	3.70	-8.12
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000734	1	55	0.0	-13.38	429.89	7.08	-6.30
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000735	1	46	0.0	-13.84	375.13	5.42	-8.43
CCCC(NC(=O)CCCOC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000000736	1	46	0.0	-10.83	367.94	5.09	-5.74
CCCC(NC(=O)C(C)NC(=O)C1=CC=CO1)C1=NNN=N1	REAL000000000737	1	40	0.0	-12.71	340.49	1.00	-11.72
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=NNN=N1	REAL000000000738	1	44	0.0	-10.96	359.86	3.98	-6.98
CCCCCCN1N=C(C(=O)NC(CCC)C2=NNN=N2)C2=CC=CC=C2C1=O	REAL000000000739	1	56	0.0	-11.34	449.56	7.14	-4.20
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C1=NNN=N1	REAL000000000740	1	50	0.0	-18.26	414.48	3.40	-14.87
CCCC(NC(=O)COC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000741	1	37	0.0	-15.13	332.57	4.84	-10.29
CCCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000000742	1	50	0.0	-8.58	357.29	6.23	-2.35
CCCC(NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O)C1=NNN=N1	REAL000000000743	1	45	0.0	-16.03	363.26	3.87	-12.16
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000000744	1	49	0.0	-22.63	419.77	1.11	-21.52
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000745	1	51	0.0	-17.88	429.85	0.92	-16.96
CCCC(NC(=O)C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000746	1	50	0.0	-18.40	419.33	7.17	-11.23
CCCC(NC(=O)COC1=CC=CC(CC)=C1)C1=NNN=N1	REAL000000000747	1	43	0.0	-14.21	354.16	5.66	-8.56
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1)C1=NNN=N1	REAL000000000748	1	50	0.0	-17.69	411.71	6.00	-11.69
CCCC(NC(=O)CC1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000000749	1	42	0.0	-15.62	346.87	3.49	-12.14
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000750	1	51	0.0	-10.06	416.24	7.81	-2.25
CCCC(NC(=O)CNS(=O)(=O)C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000751	1	47	0.0	-15.53	392.61	1.63	-13.90
CCCC(NC(=O)COC1=C(C)C=C(C)C=C1C)C1=NNN=N1	REAL000000000752	1	46	0.0	-12.80	374.48	6.36	-6.44
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000753	1	41	0.0	-15.88	373.18	0.56	-15.32
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1OC)C1=NNN=N1	REAL000000000754	1	44	0.0	-15.25	364.03	2.73	-12.51
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000755	1	41	0.0	-16.62	356.44	0.05	-16.58
CCCC(NC(=O)CNC(=O)CC1=CC=CC=C1)C1=NNN=N1	REAL000000000756	1	43	0.0	-11.00	354.15	2.49	-8.51
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000000757	1	48	0.0	-21.22	405.64	-1.38	-22.59
CCCC(NC(=O)CCNC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000758	1	43	0.0	-19.38	375.55	3.30	-16.08
CCCC(NC(=O)CCNS(=O)(=O)C=CC1=CC=CC=C1)C1=NNN=N1	REAL000000000759	1	48	0.0	-18.40	410.41	1.87	-16.53
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000760	1	44	0.0	-14.98	391.45	1.22	-13.76
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000761	1	48	0.0	-13.70	397.03	-0.32	-14.02
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000762	1	47	0.0	-15.87	396.15	1.37	-14.50
CCCC(NC(=O)C1CC(=O)N(CC2=CC=C(C)C=C2)C1)C1=NNN=N1	REAL000000000763	1	50	0.0	-14.90	408.04	5.89	-9.01
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OCC)C=C2)C1)C1=NNN=N1	REAL000000000764	1	51	0.0	-13.34	401.19	4.51	-8.83
CCCC(NC(=O)C1=CC=C(OCC2CCCO2)C=C1)C1=NNN=N1	REAL000000000765	1	48	0.0	-14.10	385.96	4.30	-9.80
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)C=C1)C1=NNN=N1	REAL000000000766	1	43	0.0	-14.60	367.01	5.50	-9.10
CCCC(NC(=O)COC1=CC=C(C(C)C)C(C)=C1)C1=NNN=N1	REAL000000000767	1	49	0.0	-13.98	388.90	6.71	-7.27
CCCC(NC(=O)COC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000000768	1	43	0.0	-15.81	356.31	6.51	-9.30
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=C(C)O2)=C1)C1=NNN=N1	REAL000000000769	1	48	0.0	-12.97	398.13	6.64	-6.33
CCCC(NC(=O)C1=CC=CC(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000000770	1	41	0.0	-17.06	355.00	0.28	-16.79
CCCC(NC(=O)CCC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000771	1	41	0.0	-11.23	343.99	4.97	-6.26
CCCC(NC(=O)CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)C1=NNN=N1	REAL000000000772	1	42	0.0	-24.70	370.71	5.09	-19.61
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000773	1	43	0.0	-15.59	368.59	3.90	-11.69
CCCC(NC(=O)C1=CC=C(OCCC(C)C)C=C1)C1=NNN=N1	REAL000000000774	1	49	0.0	-7.85	382.36	5.70	-2.15
CCCCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000775	1	52	0.0	-11.23	414.98	7.07	-4.16
CCCC(NC(=O)C1=CC=C(OC(C)C)C=C1)C1=NNN=N1	REAL000000000776	1	43	0.0	-10.90	346.89	4.54	-6.36
CCCC(NC(=O)C1=CC=C(OCC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000000777	1	50	0.0	-10.03	392.60	4.98	-5.06
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000778	1	45	0.0	-15.26	374.35	6.90	-8.37
CCCC(NC(=O)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000000779	1	30	0.0	-8.46	291.51	3.37	-5.09
CCCC(NC(=O)C1=CC=C(N2C(=O)CCC2=O)C=C1)C1=NNN=N1	REAL000000000780	1	43	0.0	-19.34	364.29	4.24	-15.09
CCCC(NC(=O)C1=CC=CC(N2C(=O)CCC2=O)=C1)C1=NNN=N1	REAL000000000781	1	43	0.0	-22.12	364.40	4.24	-17.87
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000000782	1	47	0.0	-16.02	386.64	5.23	-10.79
CCCC(NC(=O)CCCOC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000000783	1	43	0.0	-14.47	375.02	5.36	-9.11
CCCC(NC(=O)CSC1=C2C(C)=C(C)SC2=NC=N1)C1=NNN=N1	REAL000000000784	1	44	0.0	-13.03	383.25	5.33	-7.70
CCCC(NC(=O)CCC(=O)C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000785	1	47	0.0	-10.61	381.30	6.33	-4.29
CCCC(NC(=O)C1=CC=C(OC(F)F)C(OC)=C1)C1=NNN=N1	REAL000000000786	1	41	0.0	-13.51	346.10	3.17	-10.34
CCCC(NC(=O)C1=CC=CC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000000787	1	38	0.0	-16.00	324.70	-1.71	-17.71
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000788	1	47	0.0	-12.75	388.90	6.95	-5.80
CCCCCOC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000789	1	57	0.0	-11.53	459.63	7.59	-3.94
CCCC(NC(=O)CCC1=NC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000000790	1	44	0.0	-13.09	361.13	3.30	-9.79
CCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000791	1	50	0.0	-8.79	401.20	6.86	-1.93
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)F)C1=NNN=N1	REAL000000000792	1	41	0.0	-14.76	350.38	4.50	-10.26
CCCC(NC(=O)C1=CC(Br)=CC=C1Cl)C1=NNN=N1	REAL000000000793	1	33	0.0	-9.68	311.55	4.80	-4.88
CCCC(NC(=O)CC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000794	1	36	0.0	-10.50	333.32	5.26	-5.23
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000795	1	40	0.0	-18.31	347.56	3.50	-14.81
CCCC(NC(=O)CCC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000000796	1	41	0.0	-9.04	343.20	4.71	-4.33
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1)C1=NNN=N1	REAL000000000797	1	49	0.0	-18.31	405.40	1.27	-17.04
CCCC(NC(=O)C1=CC=CC=C1I)C1=NNN=N1	REAL000000000798	1	33	0.0	-10.77	299.47	4.74	-6.03
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C1=NNN=N1	REAL000000000799	1	51	0.0	-13.92	407.61	3.34	-10.58
CCCC(NC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000000800	1	44	0.0	-14.35	368.14	6.57	-7.78
CCCC(NC(=O)CCC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000000801	1	38	0.0	-10.93	334.86	4.06	-6.87
CCCC(NC(=O)C1=CC=C(N)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000802	1	37	0.0	-17.63	318.22	2.40	-15.23
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000803	1	45	0.0	-10.31	353.84	5.99	-4.32
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000804	1	44	0.0	-11.61	366.36	6.51	-5.10
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000805	1	36	0.0	-12.91	316.43	4.66	-8.25
CCCC(NC(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000806	1	35	0.0	-18.39	318.77	5.84	-12.54
CCCC(NC(=O)C1=CC(OCC)=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000000807	1	54	0.0	-13.32	435.08	5.63	-7.68
CCCC(NC(=O)C1=CC=C(I)C=C1)C1=NNN=N1	REAL000000000808	1	33	0.0	-9.70	305.51	4.75	-4.95
CCCC(NC(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000809	1	39	0.0	-14.98	340.44	5.52	-9.45
CCCC(NC(=O)CCCOC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000810	1	43	0.0	-14.87	386.48	5.81	-9.06
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000811	1	40	0.0	-14.88	360.68	5.90	-8.97
CCCC(NC(=O)C1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000000812	1	33	0.0	-10.95	306.98	4.69	-6.27
CCCC(NC(=O)CC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000813	1	44	0.0	-15.78	361.11	3.56	-12.21
CCCC(NC(=O)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000814	1	41	0.0	-14.06	336.35	2.91	-11.14
CCCC(NC(=O)C1=CC(SC)=CC=C1Cl)C1=NNN=N1	REAL000000000815	1	37	0.0	-10.83	330.41	5.19	-5.64
CCCC(NC(=O)CC1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000000816	1	36	0.0	-10.39	330.46	5.18	-5.21
CCCC(NC(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000000817	1	39	0.0	-13.00	341.09	5.32	-7.68
CCCC(NC(=O)CCC1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000818	1	51	0.0	-15.07	415.66	4.30	-10.77
CCCC(NC(=O)C1=CC(C(=O)OC)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000000819	1	41	0.0	-12.79	360.66	4.98	-7.81
CCCC(NC(=O)COC1=CC=C(Cl)C=C1C)C1=NNN=N1	REAL000000000820	1	40	0.0	-13.53	348.07	5.46	-8.07
CCCC(NC(=O)C=CC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000000821	1	37	0.0	-11.58	329.00	5.37	-6.21
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1OC)C1=NNN=N1	REAL000000000822	1	45	0.0	-14.49	369.36	3.53	-10.96
CCCC(NC(=O)C=CC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000000823	1	41	0.0	-9.65	334.50	3.83	-5.82
CCCC(NC(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000824	1	39	0.0	-20.33	337.96	5.44	-14.89
CCCC(NC(=O)C=CC1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000000825	1	49	0.0	-12.66	396.82	3.70	-8.96
CCCC(NC(=O)C1=CC=C(OCC2=NOC(C)=N2)C=C1)C1=NNN=N1	REAL000000000826	1	45	0.0	-16.87	380.48	2.47	-14.40
CCCC(NC(=O)C1=CC=CC(OC(F)F)=C1)C1=NNN=N1	REAL000000000827	1	37	0.0	-13.63	316.96	3.23	-10.39
CCCC(NC(=O)CSC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000000828	1	37	0.0	-12.13	352.62	5.77	-6.36
CCCC(NC(=O)CSC1=C2C(Cl)=CC=CC2=CC=C1)C1=NNN=N1	REAL000000000829	1	43	0.0	-11.52	367.53	6.93	-4.60
CCCC(NC(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000830	1	46	0.0	-13.25	376.57	7.76	-5.48
CCCC(NC(=O)C1=CC=CC(I)=C1)C1=NNN=N1	REAL000000000831	1	33	0.0	-11.54	305.51	4.75	-6.79
CCCC(NC(=O)C1=C(C)N(C2=NNC(=O)C=C2)N=C1)C1=NNN=N1	REAL000000000832	1	42	0.0	-15.11	354.47	1.99	-13.11
CCCC(NC(=O)C=CC1=CC=CC=C1OC)C1=NNN=N1	REAL000000000833	1	41	0.0	-13.68	340.62	4.24	-9.44
CCCC(NC(=O)CSC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000000834	1	43	0.0	-10.83	359.78	6.71	-4.12
CCCC(NC(=O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000000835	1	45	0.0	-17.84	369.64	4.14	-13.70
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000000836	1	48	0.0	-13.47	390.57	7.67	-5.80
CCCC(NC(=O)CC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000000837	1	42	0.0	-13.12	345.03	6.45	-6.67
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)C=C1)C1=NNN=N1	REAL000000000838	1	46	0.0	-15.76	376.85	5.86	-9.90
CCCC(NC(=O)CCCOC1=CC=CC=C1)C1=NNN=N1	REAL000000000839	1	43	0.0	-13.86	353.72	4.74	-9.12
CCCC(NC(=O)C1=CC=C2N=CSC2=C1)C1=NNN=N1	REAL000000000840	1	35	0.0	-9.58	301.63	2.71	-6.87
CCCC(NC(=O)CCCOC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000841	1	50	0.0	-14.78	405.07	4.97	-9.81
CCCC(NC(=O)C1=C(C)C(C(C)=O)=C(C)N1)C1=NNN=N1	REAL000000000842	1	42	0.0	-12.22	342.57	2.93	-9.29
CCCC(NC(=O)C1=CC=C(Br)O1)C1=NNN=N1	REAL000000000843	1	30	0.0	-8.00	283.65	2.38	-5.62
CCCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000000844	1	49	0.0	-11.23	393.49	6.29	-4.94
CCCC(NC(=O)C1=CN=CC(Br)=C1)C1=NNN=N1	REAL000000000845	1	32	0.0	-7.03	286.85	2.15	-4.88
CCCC(NC(=O)CC1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000000846	1	36	0.0	-11.07	321.72	4.79	-6.28
CCCC(NC(=O)C1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000000847	1	33	0.0	-9.65	298.23	4.31	-5.34
CCCC(NC(=O)C1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000000848	1	33	0.0	-9.82	306.98	4.69	-5.14
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000000849	1	33	0.0	-8.90	311.19	4.69	-4.21
CCCC(NC(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000000850	1	36	0.0	-9.76	327.09	4.97	-4.79
CCCC(NC(=O)C1=CC=C(N(CC)CC)C=C1)C1=NNN=N1	REAL000000000851	1	47	0.0	-11.36	372.63	5.96	-5.41
CCCC(NC(=O)C1=CC=CC(OC)=C1OC)C1=NNN=N1	REAL000000000852	1	41	0.0	-15.50	336.10	4.00	-11.50
CCCC(NC(=O)C1=CC=C(OC)C=C1OC)C1=NNN=N1	REAL000000000853	1	41	0.0	-14.61	334.43	3.54	-11.07
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1)C1=NNN=N1	REAL000000000854	1	41	0.0	-12.47	336.67	2.27	-10.20
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000000855	1	43	0.0	-8.61	344.62	6.76	-1.85
CCCC(NC(=O)COC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000856	1	37	0.0	-13.74	328.00	4.74	-9.00
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000857	1	41	0.0	-10.57	360.70	5.48	-5.09
CCCC(NC(=O)CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=NNN=N1	REAL000000000858	1	52	0.0	-14.25	426.35	8.69	-5.57
CCCC(NC(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000859	1	41	0.0	-11.79	342.50	3.12	-8.67
CCCC(NC(=O)CNC(=O)COC1=CC=CC=C1)C1=NNN=N1	REAL000000000860	1	44	0.0	-15.22	370.24	2.74	-12.48
CCCC(NC(=O)CCC(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000861	1	44	0.0	-11.16	365.38	5.64	-5.52
CCCC(NC(=O)CCC1=CNC2=CC=CC=C12)C1=NNN=N1	REAL000000000862	1	43	0.0	-13.02	355.66	5.19	-7.83
CCCC(NC(=O)CSC1=NC(C)=CC(C)=N1)C1=NNN=N1	REAL000000000863	1	41	0.0	-14.82	356.58	3.59	-11.24
CCCC(NC(=O)CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=NNN=N1	REAL000000000864	1	43	0.0	-13.47	388.45	4.05	-9.42
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000865	1	44	0.0	-11.69	385.40	2.24	-9.46
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=C(F)C=C2)C1=O)C1=NNN=N1	REAL000000000866	1	48	0.0	-13.65	396.68	3.10	-10.55
CCCC(NC(=O)CSC1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000867	1	43	0.0	-12.19	360.78	6.05	-6.14
CCCC(NC(=O)CSC1=CC(C)=C(Br)C=C1C)C1=NNN=N1	REAL000000000868	1	43	0.0	-11.90	378.84	6.58	-5.32
CCCC(NC(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000000869	1	39	0.0	-25.38	337.29	5.39	-19.99
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCOC2=C1)C1=NNN=N1	REAL000000000870	1	40	0.0	-10.16	347.79	3.70	-6.46
CCCC(NC(=O)CCN1NC(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000000871	1	45	0.0	-13.10	371.73	1.90	-11.20
CCCC(NC(=O)C1=C(C)N(CC2=CC=CO2)C(C)=C1)C1=NNN=N1	REAL000000000872	1	47	0.0	-10.47	377.46	5.89	-4.57
CCCC(NC(=O)CCC1=C(C)N2N=CN=C2N=C1C)C1=NNN=N1	REAL000000000873	1	46	0.0	-18.96	374.72	7.06	-11.91
CCCC(NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000000874	1	47	0.0	-11.77	393.17	3.32	-8.45
CCCC(NC(=O)CSC1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000000875	1	44	0.0	-12.87	366.41	6.71	-6.15
CCCC(NC(=O)COC1=CC=C(F)C=C1Cl)C1=NNN=N1	REAL000000000876	1	37	0.0	-12.54	326.48	4.39	-8.15
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CC=CS2)C=C1)C1=NNN=N1	REAL000000000877	1	44	0.0	-14.05	381.81	4.67	-9.38
CCCC(NC(=O)CCNC(=O)C1=CSC=C1)C1=NNN=N1	REAL000000000878	1	40	0.0	-20.30	350.17	1.71	-18.59
CCCC(NC(=O)CCCNC(=O)C1=CSC=C1)C1=NNN=N1	REAL000000000879	1	43	0.0	-15.58	371.67	2.51	-13.07
CCCC(NC(=O)CC(C)NC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000000880	1	46	0.0	-18.61	378.19	3.95	-14.67
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000000881	1	46	0.0	-18.84	398.09	4.48	-14.36
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000882	1	49	0.0	-19.03	402.38	4.70	-14.33
CCCC(NC(=O)C(C)SC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000000883	1	42	0.0	-13.53	367.66	5.93	-7.60
CCCC(NC(=O)C1=CC=C2OCCCOC2=C1)C1=NNN=N1	REAL000000000884	1	42	0.0	-13.95	340.52	3.62	-10.34
CCCC(NC(=O)CCCN1C(=O)CNC1=O)C1=NNN=N1	REAL000000000885	1	41	0.0	-19.13	345.25	0.07	-19.06
CCCC(NC(=O)C1=CC=C(C2SCCCS2)C=C1)C1=NNN=N1	REAL000000000886	1	45	0.0	-8.48	375.20	6.88	-1.59
CCCC(NC(=O)CSC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000887	1	41	0.0	-13.64	350.35	4.10	-9.54
CCCC(NC(=O)C=CC1=NC2=CC=CC=C2O1)C1=NNN=N1	REAL000000000888	1	39	0.0	-14.48	337.51	1.93	-12.55
CCCC(NC(=O)C1=CC=C2OCC(=O)NC2=C1)C1=NNN=N1	REAL000000000889	1	39	0.0	-15.07	328.44	0.90	-14.17
CCCC(NC(=O)CCC(=O)C1=CC=C(C)S1)C1=NNN=N1	REAL000000000890	1	41	0.0	-8.77	349.47	4.53	-4.23
CCCC(NC(=O)C1=CC(Cl)=C2OCOC2=C1)C1=NNN=N1	REAL000000000891	1	36	0.0	-8.53	313.28	2.52	-6.01
CCCC(NC(=O)C1=CC=C2SCCC(=O)NC2=C1)C1=NNN=N1	REAL000000000892	1	42	0.0	-15.43	354.24	3.06	-12.36
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCCOC2=C1)C1=NNN=N1	REAL000000000893	1	43	0.0	-13.09	372.68	4.56	-8.54
CCCC(NC(=O)C(=O)NC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000000894	1	40	0.0	-7.90	329.12	2.27	-5.63
CCCC(NC(=O)CSC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000000895	1	44	0.0	-13.47	372.20	5.03	-8.44
CCCC(NC(=O)CCC1=NC2=CC=CC=C2O1)C1=NNN=N1	REAL000000000896	1	41	0.0	-14.23	346.08	2.12	-12.11
CCCC(NC(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=NNN=N1	REAL000000000897	1	39	0.0	-9.19	330.93	3.05	-6.15
CCCC(NC(=O)CSC1=CC=C(C(F)(F)F)C=N1)C1=NNN=N1	REAL000000000898	1	39	0.0	-8.21	350.90	3.87	-4.35
CCCC(NC(=O)C1=CC=C(CN2CCCC2=O)C=C1)C1=NNN=N1	REAL000000000899	1	47	0.0	-13.27	378.00	5.08	-8.18
CCCC(NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1=NNN=N1	REAL000000000900	1	48	0.0	-14.19	389.50	1.82	-12.37
CCCC(NC(=O)CCC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000000901	1	44	0.0	-17.16	377.99	0.09	-17.07
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)NC)C=C1)C1=NNN=N1	REAL000000000902	1	47	0.0	-14.08	393.17	0.98	-13.10
CCCC(NC(=O)CN1C=C(C(F)(F)F)C=CC1=O)C1=NNN=N1	REAL000000000903	1	39	0.0	-19.16	345.29	3.91	-15.25
CCCC(NC(=O)CCC1=CC=C(OC)C(Br)=C1)C1=NNN=N1	REAL000000000904	1	43	0.0	-12.54	373.67	5.11	-7.43
CCCC(NC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000000905	1	50	0.0	-18.88	398.01	2.74	-16.14
CCCC(NC(=O)C=CC1=CC=C(N2C=CN=C2)C=C1)C1=NNN=N1	REAL000000000906	1	44	0.0	-15.42	368.07	7.25	-8.18
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000000907	1	45	0.0	-15.83	386.69	1.51	-14.33
CCCC(NC(=O)CSC1=NC=CN1C1=CC(C)=CC(C)=C1)C1=NNN=N1	REAL000000000908	1	50	0.0	-13.35	425.51	8.04	-5.31
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC=C1C)C1=NNN=N1	REAL000000000909	1	47	0.0	-13.11	399.17	7.06	-6.05
CCCC(NC(=O)CSC1=NC=CN1C1=CC=CC(C)=C1C)C1=NNN=N1	REAL000000000910	1	50	0.0	-10.52	408.96	7.28	-3.24
CCCC(NC(=O)CSC1=NC=CN1C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000000911	1	50	0.0	-13.02	420.59	7.74	-5.29
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000000912	1	44	0.0	-12.29	364.23	5.49	-6.80
CCCC(NC(=O)C1=CC=C(N2N=C(C)C(Cl)=C2C)C=C1)C1=NNN=N1	REAL000000000913	1	46	0.0	-14.41	392.68	6.35	-8.06
CCCC(NC(=O)C1=CC=C2NC(=O)COC2=C1)C1=NNN=N1	REAL000000000914	1	39	0.0	-15.69	328.38	0.89	-14.79
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000000915	1	48	0.0	-13.66	412.21	6.01	-7.66
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(Cl)C=C2)C1)C1=NNN=N1	REAL000000000916	1	50	0.0	-12.66	411.48	5.95	-6.71
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=NNN=N1	REAL000000000917	1	40	0.0	-15.89	336.01	4.85	-11.04
CCCC(NC(=O)COC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000000918	1	40	0.0	-15.76	353.09	5.55	-10.21
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)N(C)OC)=C1)C1=NNN=N1	REAL000000000919	1	45	0.0	-15.09	378.64	1.51	-13.58
CCCC(NC(=O)COCC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000920	1	42	0.0	-19.19	368.50	4.13	-15.06
CCCC(NC(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1=NNN=N1	REAL000000000921	1	42	0.0	-11.65	356.54	4.16	-7.49
CCCC(NC(=O)C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1)C1=NNN=N1	REAL000000000922	1	50	0.0	-9.91	401.41	4.87	-5.03
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000000923	1	53	0.0	-11.99	399.05	4.28	-7.71
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2S1)C1=NNN=N1	REAL000000000924	1	36	0.0	-9.48	323.23	5.13	-4.35
CCCC(NC(=O)C=CC1=CC(Cl)=C2OCCCOC2=C1)C1=NNN=N1	REAL000000000925	1	46	0.0	-13.06	391.08	5.34	-7.72
CCCC(NC(=O)C=CC1=CC=CC(OC)=C1OC(F)F)C1=NNN=N1	REAL000000000926	1	45	0.0	-17.18	381.47	4.49	-12.69
CCCC(NC(=O)CCCN1C(=O)CN(C)C1=O)C1=NNN=N1	REAL000000000927	1	44	0.0	-16.31	360.48	2.14	-14.17
CCCC(NC(=O)CC1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000000928	1	40	0.0	-15.20	341.61	3.90	-11.30
CCCC(NC(=O)C1=CC=C(F)C=C1Br)C1=NNN=N1	REAL000000000929	1	33	0.0	-10.91	300.39	4.35	-6.56
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2S(C)(=O)=O)C1=NNN=N1	REAL000000000930	1	45	0.0	-17.62	375.95	2.39	-15.22
CCCC(NC(=O)C1=CC(OC)=C2OCCOC2=C1)C1=NNN=N1	REAL000000000931	1	43	0.0	-14.85	351.34	2.72	-12.13
CCCC(NC(=O)C1=CC=C(OC)C(Br)=C1)C1=NNN=N1	REAL000000000932	1	37	0.0	-13.36	327.53	3.65	-9.71
CCCC(NC(=O)C1=CC=C2C(=C1)CC(C)N2S(C)(=O)=O)C1=NNN=N1	REAL000000000933	1	48	0.0	-16.91	391.52	3.21	-13.70
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCCO2)C1=NNN=N1	REAL000000000934	1	42	0.0	-13.37	364.54	3.97	-9.40
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2F)N=C1)C1=NNN=N1	REAL000000000935	1	43	0.0	-15.20	361.89	5.40	-9.80
CCCC(NC(=O)CN(C)C1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000000936	1	45	0.0	-26.67	380.49	1.75	-24.92
CCCC(NC(=O)C=CC1=C(Cl)C2=CC=CC=C2S1)C1=NNN=N1	REAL000000000937	1	40	0.0	-11.65	364.16	6.77	-4.88
CCCC(NC(=O)CN1C=C(C(=O)OC)C2=CC=CC=C21)C1=NNN=N1	REAL000000000938	1	46	0.0	-19.00	383.49	6.09	-12.91
CCCC(NC(=O)CCN1C(=O)COC2=CC=CC=C21)C1=NNN=N1	REAL000000000939	1	45	0.0	-13.00	369.87	3.57	-9.43
CCCC(NC(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=NNN=N1	REAL000000000940	1	41	0.0	-10.30	331.40	6.12	-4.19
CCCC(NC(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000000941	1	42	0.0	-19.39	355.57	1.53	-17.86
CCCC(NC(=O)C1=CC=C(CN2N=C(C)C([N+](=O)[O-])=C2C)C=C1)C1=NNN=N1	REAL000000000942	1	51	0.0	-16.90	430.08	6.99	-9.91
CCCC(NC(=O)COC1=CC=C(C2SCCCS2)C=C1)C1=NNN=N1	REAL000000000943	1	49	0.0	-14.96	415.94	7.79	-7.18
CCCC(NC(=O)C1=CC=C2C(=C1)CCCN2S(C)(=O)=O)C1=NNN=N1	REAL000000000944	1	48	0.0	-17.59	387.61	2.99	-14.60
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CC2)=C1)C1=NNN=N1	REAL000000000945	1	49	0.0	-16.45	407.68	0.99	-15.46
CCCC(NC(=O)C1=CC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000946	1	36	0.0	-10.37	316.83	5.06	-5.31
CCCC(NC(=O)CC1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000000947	1	43	0.0	-15.01	351.54	2.89	-12.12
CCCC(NC(=O)C1=CC=C(CNC(C)=O)C=C1)C1=NNN=N1	REAL000000000948	1	43	0.0	-12.64	352.73	2.32	-10.32
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=NNN=N1	REAL000000000949	1	40	0.0	-8.46	338.55	5.81	-2.65
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(F)C=C2F)CC1)C1=NNN=N1	REAL000000000950	1	50	0.0	-19.09	404.55	5.56	-13.53
CCCC(NC(=O)CCCNC(=O)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000000951	1	46	0.0	-17.60	391.28	3.73	-13.86
CCCC(NC(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=NNN=N1	REAL000000000952	1	38	0.0	-19.81	325.88	3.83	-15.98
CCCC(NC(=O)CCC1=CC=CC=C1OCC)C1=NNN=N1	REAL000000000953	1	46	0.0	-11.67	373.92	5.44	-6.23
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CS2)=C1)C1=NNN=N1	REAL000000000954	1	44	0.0	-20.95	381.93	4.66	-16.29
CCCC(NC(=O)CCN1C(C)=CSC1=O)C1=NNN=N1	REAL000000000955	1	39	0.0	-13.11	328.98	2.52	-10.59
CCCC(NC(=O)COC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000000956	1	46	0.0	-13.75	371.47	6.16	-7.59
CCCC(NC(=O)C1=CC=C(CN2C(=O)CCC2=O)C=C1)C1=NNN=N1	REAL000000000957	1	46	0.0	-13.52	378.69	4.47	-9.05
CCCC(NC(=O)C1=CC=C(CN2C(=O)CNC2=O)C=C1)C1=NNN=N1	REAL000000000958	1	45	0.0	-14.23	373.35	1.94	-12.30
CCCC(NC(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=NNN=N1	REAL000000000959	1	44	0.0	-16.87	357.73	3.82	-13.05
CCCC(NC(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000000960	1	51	0.0	-9.79	399.95	7.47	-2.32
CCCC(NC(=O)CCCN1C(=O)OC2=CC([N+](=O)[O-])=CC=C21)C1=NNN=N1	REAL000000000961	1	47	0.0	-23.61	406.52	6.11	-17.50
CCCC(NC(=O)C=CC1=CC2=C(C=C1)N(CC)C1=C2C=CC=C1)C1=NNN=N1	REAL000000000962	1	53	0.0	-14.77	433.62	9.58	-5.19
CCCC(NC(=O)C=CC1=C(Cl)N(CC(C)C)N=C1C)C1=NNN=N1	REAL000000000963	1	49	0.0	-10.67	415.52	6.08	-4.59
CCCC(NC(=O)C=CC1=CC(C)=CC=C1OC)C1=NNN=N1	REAL000000000964	1	44	0.0	-13.38	362.02	4.90	-8.48
CCCC(NC(=O)CN1C=CC(=O)N(C)C1=O)C1=NNN=N1	REAL000000000965	1	39	0.0	-23.92	330.08	2.39	-21.54
CCCC(NC(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000000966	1	44	0.0	-23.38	355.53	4.80	-18.58
CCCC(NC(=O)CSC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000000967	1	37	0.0	-12.47	333.57	4.93	-7.54
CCCC(NC(=O)CCC1=C(C)N=C(SC)N=C1C)C1=NNN=N1	REAL000000000968	1	47	0.0	-13.60	391.36	4.66	-8.95
CCCC(NC(=O)C1=CC=CC(NC(N)=O)=C1)C1=NNN=N1	REAL000000000969	1	39	0.0	-18.15	319.56	-0.56	-18.71
CCCC(NC(=O)CCCOC1=CC=CC=C1OCC)C1=NNN=N1	REAL000000000970	1	50	0.0	-17.02	404.82	5.58	-11.43
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NNN=N1	REAL000000000971	1	50	0.0	-12.61	425.58	8.82	-3.79
CCCC(NC(=O)CCCCC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000000972	1	47	0.0	-14.59	398.42	6.12	-8.47
CCCC(NC(=O)C1=CC=C(CNC(N)=O)C=C1)C1=NNN=N1	REAL000000000973	1	42	0.0	-13.40	345.65	-0.46	-13.86
CCCC(NC(=O)CC1OC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000000974	1	42	0.0	-11.46	343.52	1.98	-9.47
CCCC(NC(=O)C1=C2C=CC=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000000975	1	45	0.0	-12.45	363.57	6.07	-6.38
CCCC(NC(=O)CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000000976	1	46	0.0	-12.98	361.69	0.76	-12.21
CCCC(NC(=O)C1=CC=C(N2N=CC=C2C)C=C1)C1=NNN=N1	REAL000000000977	1	43	0.0	-15.28	354.95	5.26	-10.02
CCCC(NC(=O)CC1CCS(=O)(=O)C1)C1=NNN=N1	REAL000000000978	1	39	0.0	-18.21	324.13	-0.02	-18.24
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000000979	1	50	0.0	-11.57	392.51	3.58	-7.99
CCCC(NC(=O)CCCCC1CCSS1)C1=NNN=N1	REAL000000000980	1	44	0.0	-10.69	363.80	6.58	-4.11
CCCC(NC(=O)CC1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000000981	1	48	0.0	-8.17	376.32	6.67	-1.50
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000000982	1	44	0.0	-17.71	379.52	5.82	-11.89
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000000983	1	50	0.0	-18.29	399.81	3.91	-14.38
CCCC(NC(=O)CC1=CC=C(OC)C(F)=C1)C1=NNN=N1	REAL000000000984	1	40	0.0	-14.94	338.09	3.72	-11.22
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000000985	1	41	0.0	-18.03	346.74	1.64	-16.39
CCCC(NC(=O)COC1=C2C=CC=CC2=C(Cl)C=C1)C1=NNN=N1	REAL000000000986	1	43	0.0	-14.89	370.67	6.94	-7.95
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C1=NNN=N1	REAL000000000987	1	41	0.0	-16.70	354.29	-0.15	-16.85
CCCC(NC(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000000988	1	44	0.0	-13.44	374.65	3.79	-9.65
CCCC(NC(=O)CC1=CC(C)=CC=C1OC)C1=NNN=N1	REAL000000000989	1	43	0.0	-12.82	352.08	4.37	-8.45
CCCC(NC(=O)CSC1CCS(=O)(=O)C1)C1=NNN=N1	REAL000000000990	1	40	0.0	-18.46	343.14	0.32	-18.14
CCCC(NC(=O)C1=NC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000000991	1	32	0.0	-9.57	304.36	2.87	-6.70
CCCC(NC(=O)C1=CC(Cl)=NC(Cl)=C1)C1=NNN=N1	REAL000000000992	1	32	0.0	-7.12	299.48	2.41	-4.72
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000000993	1	42	0.0	-11.21	361.61	5.17	-6.03
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CS2)S1)C1=NNN=N1	REAL000000000994	1	39	0.0	-10.23	353.97	4.28	-5.95
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000000995	1	42	0.0	-10.69	368.01	5.24	-5.45
CCCC(NC(=O)C1=CC=C(OCC(N)=O)C=C1)C1=NNN=N1	REAL000000000996	1	41	0.0	-21.60	345.72	1.09	-20.51
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000000997	1	42	0.0	-9.12	347.72	3.54	-5.58
CCCC(NC(=O)C1CC(=O)N(C2=CC(Cl)=CC=C2OC)C1)C1=NNN=N1	REAL000000000998	1	48	0.0	-17.27	411.05	4.79	-12.48
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2Cl)C1)C1=NNN=N1	REAL000000000999	1	44	0.0	-17.81	381.01	5.63	-12.19
CCCC(NC(=O)C1=C(C)C2=C(F)C=CC=C2S1)C1=NNN=N1	REAL000000001000	1	39	0.0	-11.23	335.27	5.68	-5.55
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000001001	1	33	0.0	-9.13	312.81	4.74	-4.39
CCCC(NC(=O)C1=C(COC)C2=C(F)C=CC=C2S1)C1=NNN=N1	REAL000000001002	1	43	0.0	-10.53	361.73	4.41	-6.12
CCCC(NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2S1)C1=NNN=N1	REAL000000001003	1	38	0.0	-12.58	344.88	5.72	-6.86
CCCC(NC(=O)CN1N=C(C2=CC=CC=C2)OC1=O)C1=NNN=N1	REAL000000001006	1	42	0.0	-18.77	365.83	2.23	-16.54
CCCC(NC(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001007	1	44	0.0	-14.54	371.88	6.10	-8.44
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1)C1=NNN=N1	REAL000000001008	1	40	0.0	-6.90	366.42	6.03	-0.87
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2Cl)O1)C1=NNN=N1	REAL000000001009	1	40	0.0	-10.83	358.35	5.95	-4.88
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000001010	1	39	0.0	-9.82	361.71	4.97	-4.85
CCCC(NC(=O)C1=CC(OC)=C(Br)C(OC)=C1)C1=NNN=N1	REAL000000001011	1	41	0.0	-12.48	356.16	3.00	-9.48
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001012	1	51	0.0	-13.65	412.09	6.35	-7.30
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=NNN=N1	REAL000000001013	1	40	0.0	-9.19	331.98	3.36	-5.82
CCCC(NC(=O)C=CC1=CC(OC)=CC(OC)=C1)C1=NNN=N1	REAL000000001014	1	45	0.0	-12.61	371.20	3.46	-9.15
CCCC(NC(=O)C1=CC2=C(CCCCC2)S1)C1=NNN=N1	REAL000000001015	1	43	0.0	-7.02	343.59	5.57	-1.46
CCCC(NC(=O)C1=CC2=C(CCCC2)S1)C1=NNN=N1	REAL000000001016	1	40	0.0	-9.90	333.49	5.29	-4.61
CCCC(NC(=O)C1=CC=C2C(=O)OC(C3=CC=CC=C3)CC2=C1)C1=NNN=N1	REAL000000001017	1	50	0.0	-14.42	413.39	8.34	-6.08
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=C(C)C=C2)C(C)=C1)C1=NNN=N1	REAL000000001018	1	54	0.0	-12.10	441.75	9.54	-2.56
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000001019	1	40	0.0	-10.78	354.25	6.41	-4.37
CCCCC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001020	1	48	0.0	-11.20	388.24	7.32	-3.87
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001021	1	41	0.0	-27.37	354.46	7.30	-20.07
CCCC(NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1=NNN=N1	REAL000000001022	1	41	0.0	-25.25	349.67	1.04	-24.21
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000001023	1	51	0.0	-12.37	417.09	8.77	-3.60
CCCC(NC(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=NNN=N1	REAL000000001024	1	51	0.0	-9.59	368.03	2.88	-6.70
CCCC(NC(=O)C1=CC=C(SC(F)(F)F)C=C1)C1=NNN=N1	REAL000000001025	1	37	0.0	-6.58	326.76	4.79	-1.79
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2O1)C1=NNN=N1	REAL000000001026	1	43	0.0	-10.85	356.28	4.04	-6.82
CCCC(NC(=O)C1=C(C)C2=CC(CCC(C)=O)=CC=C2O1)C1=NNN=N1	REAL000000001027	1	50	0.0	-13.46	414.29	6.86	-6.61
CCCC(NC(=O)C1=C(C)C2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000001028	1	39	0.0	-6.71	340.83	5.03	-1.69
CCCC(NC(=O)C1=C(C)C2=CC(OCC)=CC=C2O1)C1=NNN=N1	REAL000000001029	1	46	0.0	-10.64	378.13	4.97	-5.67
CCCC(NC(=O)C1=C(COC)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000001030	1	43	0.0	-11.77	360.39	3.79	-7.98
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2O1)C1=NNN=N1	REAL000000001031	1	39	0.0	-7.18	326.05	4.47	-2.71
CCCC(NC(=O)C1=C(C)C2=CC=CC(F)=C2O1)C1=NNN=N1	REAL000000001032	1	39	0.0	-11.23	333.15	4.81	-6.43
CCCC(NC(=O)C1=C(C)C2=CC(Cl)=CC=C2O1)C1=NNN=N1	REAL000000001033	1	39	0.0	-8.88	343.44	5.25	-3.63
CCCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000001034	1	53	0.0	-9.06	399.36	4.25	-4.81
CCCC(NC(=O)C=CC1=C(CC)OC2=CC=CC=C21)C1=NNN=N1	REAL000000001035	1	46	0.0	-12.00	385.80	6.93	-5.07
CCCC(NC(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001036	1	46	0.0	-11.76	375.40	6.01	-5.75
CCCC(NC(=O)CCCC1=CC=C(Br)S1)C1=NNN=N1	REAL000000001037	1	39	0.0	-12.42	357.15	5.75	-6.67
CCCC(NC(=O)CCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000001038	1	49	0.0	-13.47	390.36	1.90	-11.57
CCCC(NC(=O)CCSC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000001039	1	42	0.0	-15.13	377.74	5.26	-9.87
CCCC(NC(=O)C1CN(C(C)=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000001040	1	45	0.0	-18.31	363.64	4.35	-13.97
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OC)C1=NNN=N1	REAL000000001041	1	44	0.0	-12.83	363.21	3.97	-8.86
CCCC(NC(=O)COC1=CC=CC=C1C(C)(C)C)C1=NNN=N1	REAL000000001042	1	49	0.0	-12.72	382.44	6.76	-5.96
CCCC(NC(=O)CC1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000001043	1	44	0.0	-10.81	352.99	2.67	-8.14
CCCC(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=NNN=N1	REAL000000001044	1	47	0.0	-17.71	387.20	1.45	-16.27
CCCC(NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1Cl)C1=NNN=N1	REAL000000001045	1	47	0.0	-13.69	394.22	7.78	-5.92
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=NNN=N1	REAL000000001046	1	41	0.0	-12.17	338.45	6.45	-5.72
CCCC(NC(=O)CC1=CSC(C2=CC=C(C)C=C2)=N1)C1=NNN=N1	REAL000000001047	1	45	0.0	-15.10	387.45	5.96	-9.14
CCCC(NC(=O)CC1=CSC(C2=CC=CC(C)=C2)=N1)C1=NNN=N1	REAL000000001050	1	45	0.0	-15.17	387.45	5.96	-9.21
CCCC(NC(=O)CN1C=NC2=C(OC3=CC=CC=C32)C1=O)C1=NNN=N1	REAL000000001051	1	44	0.0	-29.53	375.79	5.34	-24.19
CCCC(NC(=O)CCC1=CC(OC)=CC(OC)=C1)C1=NNN=N1	REAL000000001052	1	47	0.0	-12.45	382.76	3.75	-8.69
CCCC(NC(=O)COC1=CC=C(N2CCCC2=O)C=C1)C1=NNN=N1	REAL000000001053	1	48	0.0	-19.19	389.11	5.35	-13.84
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2F)O1)C1=NNN=N1	REAL000000001054	1	46	0.0	-12.31	385.24	6.81	-5.49
CCCC(NC(=O)C1COC2=CC=CC=C2C1)C1=NNN=N1	REAL000000001055	1	41	0.0	-10.40	332.35	4.17	-6.22
CCCC(NC(=O)CCC1=CC(C(C)=O)=C(C)O1)C1=NNN=N1	REAL000000001056	1	44	0.0	-13.17	367.42	4.66	-8.51
CCCC(NC(=O)C(=O)C1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000001057	1	41	0.0	-13.34	348.18	2.37	-10.97
CCCC(NC(=O)C1COC2=CC=C(Cl)C=C2C1)C1=NNN=N1	REAL000000001058	1	41	0.0	-10.55	349.09	4.68	-5.86
CCCC(NC(=O)C1=CC(C2=CSC(C)=N2)=CN1)C1=NNN=N1	REAL000000001059	1	40	0.0	-18.37	352.07	2.85	-15.52
CCCC(NC(=O)CCC1=C(C)N(CC(C)C)N=C1C)C1=NNN=N1	REAL000000001060	1	54	0.0	-12.99	420.73	5.88	-7.11
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(Cl)C=C2)S1)C1=NNN=N1	REAL000000001061	1	42	0.0	-10.35	378.33	5.69	-4.66
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000001062	1	39	0.0	-12.66	328.76	2.95	-9.71
CCCC(NC(=O)C1=CC(C2=CC=C(Br)C=C2)=NN1)C1=NNN=N1	REAL000000001063	1	40	0.0	-11.30	360.47	4.31	-7.00
CCCC(NC(=O)CCC1=NC2=CC=CC=C2N1)C1=NNN=N1	REAL000000001064	1	42	0.0	-13.03	350.00	3.84	-9.19
CCCC(NC(=O)CC1=C(C)N2N=C(N)N=C2N=C1C)C1=NNN=N1	REAL000000001065	1	45	0.0	-24.01	369.72	5.92	-18.10
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1S2)C1=NNN=N1	REAL000000001066	1	39	0.0	-8.60	347.34	6.22	-2.39
CCCC(NC(=O)CCC1=NC(C2=CSC=C2)=NO1)C1=NNN=N1	REAL000000001067	1	41	0.0	-10.69	357.63	2.33	-8.36
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(C)=O)C=C2)O1)C1=NNN=N1	REAL000000001068	1	45	0.0	-15.19	382.42	5.82	-9.37
CCCC(NC(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)O1)C1=NNN=N1	REAL000000001069	1	42	0.0	-13.21	375.73	4.94	-8.26
CCCC(NC(=O)C1=C(C)C2=C(O1)C1=CC=CC=C1C=C2)C1=NNN=N1	REAL000000001070	1	45	0.0	-9.36	365.54	6.64	-2.72
CCCC(NC(=O)CCC1=CC=C(N(C)C)C=C1)C1=NNN=N1	REAL000000001071	1	47	0.0	-8.35	368.09	5.20	-3.15
CCCC(NC(=O)CCCNC(=O)C1=CC=CC=C1OCC)C1=NNN=N1	REAL000000001072	1	53	0.0	-18.61	429.51	5.09	-13.51
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001073	1	49	0.0	-18.04	398.66	6.45	-11.60
CCCC(NC(=O)C1=CC=C(NC(=O)OCC)C=C1)C1=NNN=N1	REAL000000001074	1	44	0.0	-16.19	366.67	2.84	-13.35
CCCC(NC(=O)C1CCN(S(=O)(=O)CC)CC1)C1=NNN=N1	REAL000000001075	1	47	0.0	-15.94	379.83	1.24	-14.70
CCCC(NC(=O)CC1=CSC(N2CCCC2=O)=N1)C1=NNN=N1	REAL000000001076	1	43	0.0	-24.52	370.38	3.78	-20.73
CCCC(NC(=O)C=CC1=C(C)N(CC2=CC=C(C)C=C2)N=C1C)C1=NNN=N1	REAL000000001077	1	56	0.0	-11.59	452.32	7.97	-3.62
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000001078	1	52	0.0	-14.33	408.89	5.30	-9.04
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)OC)C=C1)C1=NNN=N1	REAL000000001079	1	45	0.0	-17.12	384.83	1.64	-15.48
CCCC(NC(=O)CCN1C(=O)OC2=CC(Cl)=CC=C21)C1=NNN=N1	REAL000000001080	1	42	0.0	-13.59	373.58	5.15	-8.44
CCCC(NC(=O)CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001081	1	51	0.0	-10.27	410.78	8.06	-2.21
CCCC(NC(=O)CN1C(C)=CC2=CC=CC=C21)C1=NNN=N1	REAL000000001082	1	43	0.0	-15.27	354.59	6.25	-9.01
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001083	1	49	0.0	-15.85	409.89	7.74	-8.11
CCCC(NC(=O)C1=CC=C2C(=O)N3CCCC3=NC2=C1)C1=NNN=N1	REAL000000001084	1	45	0.0	-18.05	369.61	4.96	-13.09
CCCC(NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001085	1	50	0.0	-14.47	409.76	7.01	-7.45
CCCC(NC(=O)C=CC1=C(Cl)N(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001086	1	47	0.0	-12.48	408.96	6.99	-5.50
CCCC(NC(=O)C1=C(C)C2=C(N=C3CCCN3C2=O)S1)C1=NNN=N1	REAL000000001087	1	45	0.0	-18.47	375.56	4.79	-13.67
CCCC(NC(=O)CC1=CSC(C2=CC=CC=C2Cl)=N1)C1=NNN=N1	REAL000000001088	1	42	0.0	-16.12	376.37	5.59	-10.52
CCCC(NC(=O)C1=CC(N2CCCC2)=CC=N1)C1=NNN=N1	REAL000000001089	1	44	0.0	-10.77	353.00	2.44	-8.33
CCCC(NC(=O)C1=CC=C2N=C(C)C(C)=NC2=C1)C1=NNN=N1	REAL000000001090	1	43	0.0	-16.01	352.54	3.21	-12.80
CCCC(NC(=O)CC1=CSC(C2=CC=CN=C2)=N1)C1=NNN=N1	REAL000000001091	1	41	0.0	-14.28	353.85	3.19	-11.09
CCCC(NC(=O)CC1=CSC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001092	1	39	0.0	-12.96	350.46	4.00	-8.96
CCCC(NC(=O)C1=CSC(C2=CC=C(CC)C=C2)=N1)C1=NNN=N1	REAL000000001093	1	45	0.0	-8.13	380.69	5.57	-2.56
CCCC(NC(=O)CCN1C=NC2=CC=CC=C21)C1=NNN=N1	REAL000000001094	1	42	0.0	-14.42	351.09	5.90	-8.52
CCCC(NC(=O)CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)C1=NNN=N1	REAL000000001095	1	44	0.0	-17.74	377.04	3.77	-13.97
CCCC(NC(=O)CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=NNN=N1	REAL000000001096	1	44	0.0	-12.01	391.37	4.30	-7.71
CCCC(NC(=O)C1CCCN(C2=CN=CC=N2)C1)C1=NNN=N1	REAL000000001097	1	46	0.0	-11.74	364.44	2.33	-9.40
CCCC(NC(=O)CN1C=C(Br)C(=O)NC1=O)C1=NNN=N1	REAL000000001098	1	36	0.0	-22.06	331.86	0.82	-21.24
CCCC(NC(=O)C1=C(C)C2=C(N=CN(C)C2=O)S1)C1=NNN=N1	REAL000000001099	1	41	0.0	-15.94	342.95	3.85	-12.08
CCCC(NC(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001100	1	44	0.0	-14.60	375.29	1.10	-13.50
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C)N2C1=CC=CC=C1)C1=NNN=N1	REAL000000001101	1	49	0.0	-16.99	406.47	8.21	-8.78
CCCC(NC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000001102	1	42	0.0	-20.93	366.41	-0.00	-20.93
CCCC(NC(=O)CC1=C(C(=O)OC)C(C)=C(C(C)=O)N1)C1=NNN=N1	REAL000000001103	1	48	0.0	-21.18	405.96	3.86	-17.32
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000001104	1	53	0.0	-13.88	425.63	4.07	-9.80
CCCC(NC(=O)CCC(=O)C1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000001105	1	47	0.0	-12.25	390.01	7.20	-5.04
CCCC(NC(=O)CC1C2=CC=CC=C2C=CN1C(C)=O)C1=NNN=N1	REAL000000001106	1	48	0.0	-16.00	383.40	7.42	-8.57
CCCC(NC(=O)CC1C2=CC=CC=C2CCN1C(C)=O)C1=NNN=N1	REAL000000001107	1	50	0.0	-11.55	383.45	6.25	-5.30
CCCC(NC(=O)CN1C2=CC=CC=C2OCCC1=O)C1=NNN=N1	REAL000000001108	1	45	0.0	-15.13	361.04	3.49	-11.64
CCCC(NC(=O)C1=CC(F)=CC=C1Br)C1=NNN=N1	REAL000000001109	1	33	0.0	-9.63	300.40	4.35	-5.28
CCCC(NC(=O)CCC(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000001110	1	47	0.0	-9.38	375.16	5.85	-3.53
CCCC(NC(=O)C1=CC=C(OCC(N)=O)C(OC)=C1)C1=NNN=N1	REAL000000001111	1	45	0.0	-20.73	367.73	0.53	-20.20
CCCC(NC(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=NNN=N1	REAL000000001112	1	41	0.0	-19.38	344.75	3.07	-16.30
CCCC(NC(=O)CN1C=NC2=C(C=CS2)C1=O)C1=NNN=N1	REAL000000001113	1	38	0.0	-19.89	338.55	3.92	-15.97
CCCC(NC(=O)CCN1C=CC2=CC=CC=C21)C1=NNN=N1	REAL000000001114	1	43	0.0	-11.77	356.56	6.32	-5.45
CCCC(NC(=O)CC1=NOC2=CC=CC=C21)C1=NNN=N1	REAL000000001115	1	38	0.0	-15.88	318.52	3.33	-12.55
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=C(C)ON=C1C)C1=NNN=N1	REAL000000001116	1	46	0.0	-14.99	386.67	-0.37	-15.35
CCCC(NC(=O)CCCNC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000001117	1	46	0.0	-17.48	387.07	4.75	-12.72
CCCC(NC(=O)C1=CC2=C(CCCCCC2)S1)C1=NNN=N1	REAL000000001118	1	46	0.0	-6.86	351.85	5.86	-0.99
CCCC1=C(CC)C=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000001119	1	45	0.0	-9.42	372.75	6.27	-3.15
CCCC(NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)S1)C1=NNN=N1	REAL000000001120	1	52	0.0	-6.82	395.36	7.00	0.18
CCCC(NC(=O)C1=CC2=C(CCC(C)C2)S1)C1=NNN=N1	REAL000000001121	1	43	0.0	-9.75	354.29	5.91	-3.85
CCCC1=C(C)SC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000001122	1	42	0.0	-7.02	344.85	5.20	-1.82
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=NNN=N1	REAL000000001125	1	35	0.0	-13.36	318.43	4.84	-8.52
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=NNN=N1	REAL000000001126	1	36	0.0	-11.19	329.48	5.55	-5.64
CCCC(NC(=O)C1=C(Cl)C2=CC=C(Cl)C=C2S1)C1=NNN=N1	REAL000000001127	1	36	0.0	-9.40	346.20	6.06	-3.34
CCCC(NC(=O)C1=C(Cl)C2=CC=C(F)C=C2S1)C1=NNN=N1	REAL000000001128	1	36	0.0	-7.07	328.67	5.30	-1.77
CCCCN1N=C(C)C(C=CC(=O)NC(CCC)C2=NNN=N2)=C1Cl	REAL000000001129	1	49	0.0	-10.86	418.66	6.08	-4.79
CCCC(NC(=O)C=CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001130	1	50	0.0	-11.68	434.43	7.49	-4.19
CCCC(NC(=O)CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)C1=NNN=N1	REAL000000001131	1	49	0.0	-22.06	410.57	6.42	-15.64
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001132	1	43	0.0	-12.79	364.18	5.25	-7.53
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001133	1	40	0.0	-10.27	331.50	4.47	-5.80
CCCC(NC(=O)CC1=CSC(COC2=CC=C(C)C=C2)=N1)C1=NNN=N1	REAL000000001134	1	49	0.0	-18.46	419.06	5.49	-12.97
CCCC(NC(=O)C1=CNC2=CC([N+](=O)[O-])=CC=C12)C1=NNN=N1	REAL000000001135	1	39	0.0	-19.12	338.26	4.31	-14.81
CCCC(NC(=O)CN1C=NC2=C(C(C)=C(C)S2)C1=O)C1=NNN=N1	REAL000000001136	1	44	0.0	-23.02	376.39	5.35	-17.66
CCCC(NC(=O)CC1=CC=C(C)C(OC)=C1)C1=NNN=N1	REAL000000001137	1	43	0.0	-13.14	351.94	4.38	-8.76
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC(SC)=C2)C1)C1=NNN=N1	REAL000000001138	1	48	0.0	-21.14	397.14	5.64	-15.49
CCCC(NC(=O)C1CC2=CC=CC=C2C(=O)O1)C1=NNN=N1	REAL000000001139	1	40	0.0	-18.94	336.83	5.35	-13.59
CCCC(NC(=O)C1CC(=O)N(C2CCCC2)C1)C1=NNN=N1	REAL000000001140	1	47	0.0	-11.53	358.52	3.69	-7.84
CCCC(NC(=O)C1=CC(S(=O)(=O)N(CC)CC)=CN1C)C1=NNN=N1	REAL000000001141	1	51	0.0	-15.81	422.77	2.79	-13.03
CCCC(NC(=O)C1=CC=C(CCNS(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000001142	1	47	0.0	-21.67	399.16	1.25	-20.42
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CS(C)(=O)=O)C1=NNN=N1	REAL000000001143	1	48	0.0	-30.08	405.11	3.72	-26.36
CCCC(NC(=O)C1=CC=C2C(=O)N(C3CCCCC3)C(=O)C2=C1)C1=NNN=N1	REAL000000001144	1	53	0.0	-15.52	422.23	6.37	-9.15
CCCC(NC(=O)CC1=COC2=CC(C)=C(C)C=C12)C1=NNN=N1	REAL000000001145	1	45	0.0	-12.31	362.07	5.61	-6.70
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1CC2)C1=NNN=N1	REAL000000001146	1	44	0.0	-8.41	364.55	7.09	-1.32
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2)C1=NNN=N1	REAL000000001147	1	42	0.0	-12.07	363.10	5.61	-6.46
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NNN=N1	REAL000000001148	1	39	0.0	-12.81	344.37	1.27	-11.55
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001149	1	42	0.0	-8.59	348.71	2.60	-5.99
CCCC(NC(=O)CCCC1=NC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000001150	1	47	0.0	-17.57	382.63	4.08	-13.50
CCCC(NC(=O)C1=CC=C(CCNS(C)(=O)=O)S1)C1=NNN=N1	REAL000000001151	1	44	0.0	-16.79	384.53	0.06	-16.73
CCCC(NC(=O)CCC1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000001152	1	45	0.0	-14.12	365.64	3.94	-10.18
CCCC(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1=NNN=N1	REAL000000001153	1	48	0.0	-12.69	375.55	2.07	-10.62
CCCC(NC(=O)CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)C1=NNN=N1	REAL000000001154	1	52	0.0	-18.10	418.58	4.16	-13.93
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=CC=C2)C1=O)C1=NNN=N1	REAL000000001155	1	48	0.0	-17.29	397.52	3.41	-13.88
CCCC(NC(=O)CN1C(=O)NC(C)(C2=CC=C(C)C=C2)C1=O)C1=NNN=N1	REAL000000001156	1	51	0.0	-13.25	411.69	3.71	-9.54
CCCC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=NNN=N1	REAL000000001157	1	45	0.0	-16.00	372.06	2.32	-13.67
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OC)C=C2OC)C1)C1=NNN=N1	REAL000000001158	1	52	0.0	-17.25	416.54	3.27	-13.98
CCCC(NC(=O)C=CC1=CC=C(C2CC2C)O1)C1=NNN=N1	REAL000000001159	1	44	0.0	-12.33	365.02	6.01	-6.33
CCCC(NC(=O)COC1=CC=C(C#N)C=C1OC)C1=NNN=N1	REAL000000001160	1	42	0.0	-19.51	361.30	4.40	-15.10
CCCC(NC(=O)CN1C=NC2=C(C)C=CC=C2C1=O)C1=NNN=N1	REAL000000001161	1	44	0.0	-17.92	360.97	5.35	-12.57
CCCC(NC(=O)C1=CN(CC)C2=CC=CC=C12)C1=NNN=N1	REAL000000001162	1	43	0.0	-16.71	354.38	6.26	-10.45
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)C1=NNN=N1	REAL000000001163	1	50	0.0	-13.43	404.86	8.84	-4.59
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=NNN=N1	REAL000000001164	1	44	0.0	-11.63	372.80	6.58	-5.05
CCCC(NC(=O)C1=CC=CC(OCC2=CSC(C)=N2)=C1)C1=NNN=N1	REAL000000001165	1	46	0.0	-14.64	394.03	4.76	-9.88
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCOCC2)=CN1C)C1=NNN=N1	REAL000000001166	1	50	0.0	-16.02	412.96	0.61	-15.41
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001167	1	45	0.0	-13.05	365.78	6.18	-6.87
CCCC(NC(=O)CCC1=C(C)N2N=C3C=CC=CC3=C2N=C1C)C1=NNN=N1	REAL000000001168	1	53	0.0	-18.90	426.78	7.18	-11.71
CCCC(NC(=O)CCC1=CC=C(C2CC2C)O1)C1=NNN=N1	REAL000000001169	1	46	0.0	-10.62	376.59	6.34	-4.28
CCCC(NC(=O)CCN1N=NC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000001170	1	43	0.0	-15.79	365.26	2.47	-13.32
CCCC(NC(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001171	1	42	0.0	-19.03	358.21	2.93	-16.10
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001172	1	39	0.0	-7.85	329.19	4.34	-3.51
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=N1)C1=NNN=N1	REAL000000001173	1	42	0.0	-15.38	359.40	5.23	-10.15
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C1=NNN=N1	REAL000000001174	1	44	0.0	-14.06	349.34	4.38	-9.68
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NNN=N1	REAL000000001175	1	45	0.0	-21.30	374.08	2.19	-19.11
CCCC(NC(=O)CN1N=NC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000001176	1	40	0.0	-19.44	344.24	1.95	-17.49
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OC)C=C2)S1)C1=NNN=N1	REAL000000001177	1	46	0.0	-11.97	391.02	4.49	-7.48
CCCC(NC(=O)C1CCCN(S(=O)(=O)C2=CC=CS2)C1)C1=NNN=N1	REAL000000001178	1	48	0.0	-17.05	407.81	2.49	-14.56
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CSC)C1=NNN=N1	REAL000000001179	1	46	0.0	-19.56	394.20	6.21	-13.35
CCCC(NC(=O)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000001180	1	48	0.0	-19.19	397.85	4.99	-14.20
CCCC(NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1=NNN=N1	REAL000000001181	1	51	0.0	-16.33	398.75	2.67	-13.66
CCCC(NC(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=NNN=N1	REAL000000001182	1	36	0.0	-11.41	332.71	5.54	-5.87
CCCC(NC(=O)CCN1C(=O)N(CCC)C2=CC=CC=C21)C1=NNN=N1	REAL000000001183	1	52	0.0	-13.68	419.09	6.93	-6.75
CCCC(NC(=O)CN1N=NC(C2=CC=C(C)C=C2)=N1)C1=NNN=N1	REAL000000001184	1	44	0.0	-19.13	375.44	4.00	-15.13
CCCC(NC(=O)CCC1=NC(C2=CC=CS2)=NO1)C1=NNN=N1	REAL000000001185	1	41	0.0	-13.46	365.56	2.80	-10.66
CCCC(NC(=O)CC1=CC(Cl)=CC=C1OC)C1=NNN=N1	REAL000000001186	1	40	0.0	-12.15	347.40	4.22	-7.93
CCCC(NC(=O)C=CC1=CC=C(OCC(N)=O)C=C1)C1=NNN=N1	REAL000000001187	1	45	0.0	-21.45	380.27	2.27	-19.17
CCCC(NC(=O)C1=NN(CCOC)C(=O)C=C1)C1=NNN=N1	REAL000000001188	1	42	0.0	-9.85	348.22	0.45	-9.41
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=NNN=N1	REAL000000001189	1	40	0.0	-10.30	364.57	6.85	-3.46
CCCC(NC(=O)C1=CC=C(C2=CC=C3OCCOC3=C2)S1)C1=NNN=N1	REAL000000001190	1	46	0.0	-13.13	392.32	5.49	-7.63
CCCC(NC(=O)C1=CC2=C(F)C=CC=C2S1)C1=NNN=N1	REAL000000001191	1	36	0.0	-12.18	323.21	5.12	-7.06
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000001192	1	40	0.0	-10.41	347.86	6.34	-4.07
CCCC(NC(=O)CC1=CSC(C2=CC=CC(F)=C2)=N1)C1=NNN=N1	REAL000000001193	1	42	0.0	-16.27	372.46	5.36	-10.91
CCCC(NC(=O)CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000001194	1	42	0.0	-13.82	382.77	5.80	-8.02
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001195	1	39	0.0	-11.00	336.70	3.26	-7.73
CCCC(NC(=O)C1=C(C)C2=C(CC(C)(C)CC2=O)N1)C1=NNN=N1	REAL000000001196	1	49	0.0	-14.79	376.19	4.27	-10.52
CCCC(NC(=O)C1=C(C)C(C(=O)OC(C)C)=C(C)N1)C1=NNN=N1	REAL000000001197	1	49	0.0	-15.49	402.68	5.04	-10.45
CCCC(NC(=O)C1=C(C)C(C(=O)OC)=C(CC)N1)C1=NNN=N1	REAL000000001198	1	46	0.0	-12.03	375.05	3.81	-8.22
CCCC(NC(=O)C1=C(C)C2=C(CCCC2=O)N1)C1=NNN=N1	REAL000000001199	1	43	0.0	-19.42	346.55	3.67	-15.75
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2S1)C1=NNN=N1	REAL000000001200	1	36	0.0	-10.02	323.23	5.12	-4.90
CCCC(NC(=O)CC1=CSC(C2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000001201	1	41	0.0	-17.47	354.27	3.07	-14.40
CCCC(NC(=O)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1)C1=NNN=N1	REAL000000001202	1	48	0.0	-20.54	403.12	5.97	-14.57
CCCC(NC(=O)C1=CC=C(Br)C=C1F)C1=NNN=N1	REAL000000001203	1	33	0.0	-12.85	303.57	4.35	-8.49
CCCCC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001204	1	45	0.0	-7.27	356.41	6.33	-0.95
CCCC(NC(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=NNN=N1	REAL000000001205	1	44	0.0	-10.64	354.75	7.42	-3.22
CCCC(NC(=O)CN1C(=O)N(CC)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000001206	1	48	0.0	-21.00	393.93	5.37	-15.63
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C(C)=CC1=O)C1=NNN=N1	REAL000000001207	1	47	0.0	-31.76	396.25	7.33	-24.44
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=CC1=O)C1=NNN=N1	REAL000000001208	1	45	0.0	-19.42	377.99	6.08	-13.33
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001209	1	43	0.0	-14.26	382.79	3.25	-11.01
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CO2)=N1)C1=NNN=N1	REAL000000001210	1	43	0.0	-18.70	382.05	2.58	-16.12
CCCC(NC(=O)C1=CSC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000001211	1	35	0.0	-18.53	325.31	-2.41	-20.94
CCCC(NC(=O)C=CC1=CC=C(OCC(N)=O)C(OC)=C1)C1=NNN=N1	REAL000000001212	1	49	0.0	-24.86	409.47	2.04	-22.81
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000001213	1	49	0.0	-19.57	415.18	-0.72	-20.28
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000001214	1	39	0.0	-8.26	344.22	4.20	-4.06
CCCC(NC(=O)C1=CSC(C2=CC=C(OC)C(OC)=C2)=N1)C1=NNN=N1	REAL000000001215	1	47	0.0	-12.89	403.64	3.71	-9.18
CCCC(NC(=O)COC1=CC=CC(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000001216	1	48	0.0	-26.08	388.56	5.35	-20.73
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1C)C1=NNN=N1	REAL000000001217	1	37	0.0	-7.40	310.19	2.86	-4.54
CCCC(NC(=O)C1=CC(Br)=CN1)C1=NNN=N1	REAL000000001218	1	31	0.0	-9.17	279.33	1.74	-7.43
CCCC(NC(=O)C1=CSC(C2=CC=C(OC)C=C2)=N1)C1=NNN=N1	REAL000000001219	1	43	0.0	-10.95	374.42	3.78	-7.17
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=NNN=N1	REAL000000001222	1	39	0.0	-7.91	333.09	4.35	-3.55
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000001223	1	50	0.0	-9.65	391.29	7.57	-2.08
CCCC(NC(=O)C1=CC=C(C)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000001224	1	41	0.0	-20.43	347.37	-0.62	-21.05
CCCC(NC(=O)CSCC1=CSC(C)=N1)C1=NNN=N1	REAL000000001225	1	39	0.0	-15.08	353.37	3.40	-11.68
CCCC(NC(=O)CCSC1=CC=CC=C1F)C1=NNN=N1	REAL000000001226	1	40	0.0	-11.77	348.32	5.66	-6.11
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000001227	1	43	0.0	-19.94	381.12	1.17	-18.78
CCCC(NC(=O)C1=CC(OC)=C(OCC(N)=O)C(OC)=C1)C1=NNN=N1	REAL000000001228	1	49	0.0	-21.47	408.10	0.68	-20.79
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)C1=NNN=N1	REAL000000001229	1	52	0.0	-15.56	416.07	8.12	-7.44
CCCC(NC(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000001230	1	37	0.0	-9.92	345.73	5.88	-4.04
CCCC(NC(=O)CCC1=CC=C(OC)C(F)=C1)C1=NNN=N1	REAL000000001231	1	43	0.0	-13.90	359.48	4.51	-9.38
CCCC(NC(=O)CSC1=NC2=CC=CC=C2O1)C1=NNN=N1	REAL000000001232	1	39	0.0	-13.17	339.17	1.44	-11.73
CCCC(NC(=O)CSC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000001233	1	37	0.0	-14.28	335.89	5.26	-9.02
CCCC(NC(=O)C=CC1=CC=C(OC)C(OCC)=C1)C1=NNN=N1	REAL000000001234	1	48	0.0	-14.51	392.74	5.02	-9.49
CCCC(NC(=O)CCC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000001235	1	43	0.0	-11.86	353.26	4.44	-7.42
CCCC(NC(=O)COC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000001236	1	37	0.0	-13.98	344.03	5.28	-8.71
CCCC(NC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000001237	1	33	0.0	-8.84	309.61	4.63	-4.21
CCCC(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000001238	1	45	0.0	-13.77	369.52	2.85	-10.92
CCCC(NC(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000001239	1	38	0.0	-14.04	327.73	3.91	-10.13
CCCC(NC(=O)COC1=CC=CC=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000001240	1	47	0.0	-15.74	390.00	7.93	-7.81
CCCC(NC(=O)CSC1=NC=CN1C1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000001241	1	53	0.0	-12.81	442.90	8.63	-4.18
CCCC(NC(=O)C1=C(C)N=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000001242	1	45	0.0	-15.88	364.70	4.00	-11.89
CCCC(NC(=O)CC1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000001243	1	48	0.0	-17.94	394.26	3.49	-14.45
CCCC(NC(=O)COC1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000001244	1	43	0.0	-13.86	352.76	5.61	-8.25
CCCC(NC(=O)C1=CC=C(OCC(C)C)C=C1)C1=NNN=N1	REAL000000001245	1	46	0.0	-11.21	370.59	5.40	-5.82
CCCC(NC(=O)C1=C(C)N(CC(F)(F)F)C(C)=C1)C1=NNN=N1	REAL000000001246	1	43	0.0	-12.65	358.96	5.36	-7.29
CCCC(NC(=O)CN1N=C(C2=CC=CS2)OC1=O)C1=NNN=N1	REAL000000001247	1	39	0.0	-18.67	356.80	1.23	-17.44
CCCC(NC(=O)C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1)C1=NNN=N1	REAL000000001248	1	50	0.0	-15.21	407.67	7.14	-8.07
CCCC(NC(=O)C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1)C1=NNN=N1	REAL000000001249	1	44	0.0	-12.12	394.59	6.37	-5.75
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001250	1	40	0.0	-11.61	343.10	2.22	-9.39
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)N2CCCC2)S1)C1=NNN=N1	REAL000000001251	1	48	0.0	-16.15	409.52	2.31	-13.84
CCCC(NC(=O)CCNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000001252	1	55	0.0	-16.32	427.75	4.80	-11.53
CCCC(NC(=O)CCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000001253	1	43	0.0	-11.54	353.26	4.44	-7.09
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000001254	1	39	0.0	-18.16	338.38	1.19	-16.97
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001255	1	46	0.0	-12.01	384.01	7.02	-4.99
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=NNN=N1	REAL000000001256	1	38	0.0	-12.32	321.88	4.84	-7.48
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000001257	1	44	0.0	-15.44	386.54	2.14	-13.30
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000001258	1	36	0.0	-10.45	316.42	4.65	-5.80
CCCC(NC(=O)C1=CC=C(CSC2=NC(C)=CS2)C=C1)C1=NNN=N1	REAL000000001259	1	46	0.0	-15.06	407.27	6.21	-8.85
CCCC(NC(=O)COC1=CC(C)=CC=C1C(C)C)C1=NNN=N1	REAL000000001260	1	49	0.0	-10.37	384.10	6.45	-3.91
CCCC(NC(=O)CCOC1=CC=CC=C1F)C1=NNN=N1	REAL000000001261	1	40	0.0	-12.00	338.45	4.05	-7.95
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001262	1	39	0.0	-10.17	340.48	5.65	-4.53
CCCC(NC(=O)CC1=CC(Cl)=C2OCCOC2=C1)C1=NNN=N1	REAL000000001263	1	42	0.0	-15.47	362.83	4.03	-11.44
CCCC(NC(=O)CCOC1=CC=CC=C1OC)C1=NNN=N1	REAL000000001264	1	44	0.0	-12.91	361.47	3.89	-9.01
CCCC(NC(=O)C1=C(C)N(C2CCCCC2)C(C)=C1)C1=NNN=N1	REAL000000001265	1	53	0.0	-10.63	396.55	7.27	-3.36
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC)C=C1)C1=NNN=N1	REAL000000001266	1	45	0.0	-17.58	388.82	1.03	-16.55
CCCC(NC(=O)C=CC1=C(C)N(CC)C(C)=C1C(=O)OCC)C1=NNN=N1	REAL000000001267	1	56	0.0	-15.05	460.56	8.04	-7.01
CCCC(NC(=O)C1=C(C)C(C(=O)OC)=C(C)N1)C1=NNN=N1	REAL000000001268	1	43	0.0	-12.30	353.39	3.07	-9.23
CCCC(NC(=O)C1=CSC2=C1CCCC2)C1=NNN=N1	REAL000000001269	1	40	0.0	-10.51	328.69	5.23	-5.28
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2Cl)N=C1)C1=NNN=N1	REAL000000001270	1	43	0.0	-13.22	376.73	5.72	-7.51
CCCC(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C1=NNN=N1	REAL000000001271	1	50	0.0	-20.89	403.93	1.98	-18.91
CCCC(NC(=O)CCN1C(=O)C(C)OC2=CC=CC=C21)C1=NNN=N1	REAL000000001272	1	48	0.0	-12.65	390.18	4.26	-8.39
CCCC(NC(=O)C1=CC=C(C#CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001273	1	45	0.0	-12.47	386.65	8.81	-3.65
CCCC(NC(=O)C1=C(C)C2=C(OC)N=C(COC)N=C2S1)C1=NNN=N1	REAL000000001274	1	48	0.0	-11.95	406.20	1.24	-10.71
CCCC(NC(=O)C1=CC=CC(CS(C)=O)=C1)C1=NNN=N1	REAL000000001275	1	41	0.0	-17.61	353.38	2.89	-14.72
C=CCC1=CC(C(=O)NC(CCC)C2=NNN=N2)=CC(OC)=C1OC	REAL000000001276	1	48	0.0	-12.14	392.35	4.94	-7.20
CCCC(NC(=O)CCN1C(=O)NC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000001277	1	45	0.0	-13.46	367.31	2.36	-11.10
CCCC(NC(=O)C1CC(=O)N(C2=CC(C)=CC=C2OC)C1)C1=NNN=N1	REAL000000001278	1	51	0.0	-17.65	415.73	4.96	-12.69
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001279	1	39	0.0	-10.28	344.99	4.46	-5.81
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(Cl)=C2)S1)C1=NNN=N1	REAL000000001280	1	42	0.0	-7.60	371.16	5.35	-2.24
CCCC(NC(=O)CC1=CSC(C2=CSC=C2)=N1)C1=NNN=N1	REAL000000001281	1	39	0.0	-15.59	357.05	4.22	-11.37
CCCC(NC(=O)C1=CC(Br)=CN1C)C1=NNN=N1	REAL000000001282	1	34	0.0	-9.64	304.75	3.71	-5.92
CCCC(NC(=O)C1CC(=O)N(C2=C3C=CC=CC3=CC=C2)C1)C1=NNN=N1	REAL000000001283	1	50	0.0	-18.59	410.05	7.49	-11.10
CCCC(NC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001284	1	49	0.0	-19.86	404.21	4.92	-14.95
CCCC(NC(=O)C1=CC2=C(OC(C)C2)C(OC)=C1)C1=NNN=N1	REAL000000001285	1	45	0.0	-13.27	364.21	3.58	-9.69
CCCC(NC(=O)COC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000001286	1	43	0.0	-13.86	352.75	5.61	-8.25
CCCC(NC(=O)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)C1=NNN=N1	REAL000000001287	1	58	0.0	-7.66	420.89	6.09	-1.57
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1F)C1=NNN=N1	REAL000000001288	1	44	0.0	-16.90	377.81	1.76	-15.14
CCCC(NC(=O)C=CC1=CC=CC=C1OCC)C1=NNN=N1	REAL000000001289	1	44	0.0	-13.61	362.48	5.16	-8.45
CCCC(NC(=O)C=CC1=CC=C(C)C(Cl)=C1)C1=NNN=N1	REAL000000001290	1	40	0.0	-11.59	347.68	5.95	-5.64
CCCC(NC(=O)CCOC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000001291	1	43	0.0	-11.08	353.63	4.65	-6.43
CCCC(NC(=O)CNC(=O)C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000001292	1	40	0.0	-12.52	358.00	2.77	-9.75
CCCC(NC(=O)CCSC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000001293	1	44	0.0	-11.51	372.03	4.91	-6.59
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000001294	1	50	0.0	-13.05	401.17	5.51	-7.55
CCCC(NC(=O)C1=C(C)N=C(CC2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000001295	1	45	0.0	-12.50	391.65	5.97	-6.53
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000001296	1	37	0.0	-10.88	343.24	5.80	-5.09
CCCC(NC(=O)CC1=CC(F)=CC2=C1OCOC2)C1=NNN=N1	REAL000000001297	1	42	0.0	-14.44	352.07	3.51	-10.94
CCCC(NC(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000001298	1	44	0.0	-16.28	369.04	5.29	-10.99
CCCC(NC(=O)CCC1=C(C)C2=CC=C(OC)C=C2OC1=O)C1=NNN=N1	REAL000000001299	1	51	0.0	-18.99	413.96	6.36	-12.63
CCCC(NC(=O)CCN1C=NC2=C(C)C=CC=C2C1=O)C1=NNN=N1	REAL000000001300	1	47	0.0	-16.25	389.19	6.13	-10.13
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C=NN2C(C)C)C1=NNN=N1	REAL000000001301	1	47	0.0	-13.69	381.07	5.05	-8.64
CCCC(NC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=NNN=N1	REAL000000001302	1	41	0.0	-14.41	337.47	2.84	-11.57
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC)C=C2)C(C)=C1)C1=NNN=N1	REAL000000001303	1	51	0.0	-11.93	413.82	6.91	-5.02
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=NNN=N1	REAL000000001304	1	39	0.0	-14.84	331.57	-2.35	-17.19
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000001305	1	39	0.0	-12.48	341.08	5.32	-7.16
CCCC(NC(=O)C=CC1=CC=C(OC)C(Cl)=C1)C1=NNN=N1	REAL000000001306	1	41	0.0	-12.04	357.69	4.73	-7.32
CCCC(NC(=O)C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000001307	1	53	0.0	-10.33	409.49	7.29	-3.04
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1)C1=NNN=N1	REAL000000001308	1	46	0.0	-21.54	384.78	3.89	-17.65
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=NNN=N1	REAL000000001309	1	50	0.0	-10.92	409.01	6.10	-4.82
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCCC2)=CN1C)C1=NNN=N1	REAL000000001310	1	52	0.0	-12.73	415.42	2.67	-10.06
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)C1=NNN=N1	REAL000000001311	1	42	0.0	-9.64	356.95	3.93	-5.70
CCCC(NC(=O)C1=C(C)N=C2C=CC(OC)=CC2=C1)C1=NNN=N1	REAL000000001312	1	45	0.0	-12.66	364.66	3.99	-8.67
CCCC(NC(=O)C1CCN(C(=O)COC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000001313	1	54	0.0	-19.40	420.88	6.11	-13.28
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)O1)C1=NNN=N1	REAL000000001314	1	41	0.0	-13.35	359.95	-0.27	-13.62
CCCC(NC(=O)C1=CC=C(N2CC(C)OC(C)C2)N=C1)C1=NNN=N1	REAL000000001315	1	51	0.0	-11.53	401.76	3.40	-8.13
CCCC(NC(=O)CN1C=C(Br)C=CC1=O)C1=NNN=N1	REAL000000001316	1	36	0.0	-15.98	327.82	3.54	-12.44
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001317	1	41	0.0	-15.80	364.55	-0.37	-16.17
CCCC(NC(=O)CCC1=NC(C2=CC=CC=N2)=NO1)C1=NNN=N1	REAL000000001318	1	43	0.0	-16.68	370.00	1.89	-14.80
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NN1)C1=NNN=N1	REAL000000001319	1	40	0.0	-11.74	355.91	4.20	-7.54
CCCC(NC(=O)CCC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000001320	1	39	0.0	-10.58	340.48	5.64	-4.94
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1=NNN=N1	REAL000000001321	1	40	0.0	-13.94	348.56	4.36	-9.58
CCCC(NC(=O)C1=CSC(C2=CC=C(OCC)C=C2)=N1)C1=NNN=N1	REAL000000001322	1	46	0.0	-8.75	389.09	4.38	-4.36
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCCC2)O1)C1=NNN=N1	REAL000000001323	1	45	0.0	-14.01	386.32	0.85	-13.16
CCCC(NC(=O)CCC1=C(C)N2N=CC(C#N)=C2N=C1C)C1=NNN=N1	REAL000000001324	1	48	0.0	-18.45	401.32	5.44	-13.01
CCCC(NC(=O)CCCNC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000001325	1	50	0.0	-16.40	409.74	2.92	-13.49
CCCC(NC(=O)CCOC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000001326	1	40	0.0	-10.29	353.52	4.59	-5.70
CCCC(NC(=O)C1COC2=CC=C(OC)C=C2C1)C1=NNN=N1	REAL000000001327	1	45	0.0	-11.63	361.83	3.48	-8.15
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001328	1	38	0.0	-15.65	348.38	-0.96	-16.61
CCCC(NC(=O)C=CC1=CC(OC)=C2OCCOC2=C1)C1=NNN=N1	REAL000000001329	1	47	0.0	-15.79	385.89	3.90	-11.88
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1SC(F)F)C1=NNN=N1	REAL000000001330	1	43	0.0	-20.64	383.87	6.16	-14.48
CCCC(NC(=O)C1=NN2C(=N1)N=C(C)C=C2C)C1=NNN=N1	REAL000000001331	1	40	0.0	-19.46	341.84	5.00	-14.45
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001332	1	43	0.0	-12.84	353.67	5.23	-7.61
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Br)N=N1)C1=NNN=N1	REAL000000001333	1	39	0.0	-13.42	350.79	4.01	-9.41
CCCC(NC(=O)C1=CC(Br)=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000001334	1	44	0.0	-8.06	375.35	4.28	-3.78
CCCC(NC(=O)CSC1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000001335	1	43	0.0	-15.76	365.37	3.95	-11.82
CCCC(NC(=O)C=CC1=CC(Br)=CC=C1OC)C1=NNN=N1	REAL000000001336	1	41	0.0	-9.13	354.66	4.51	-4.61
CCCC(NC(=O)C1=CC=C2NC(C)=C(C)C2=C1)C1=NNN=N1	REAL000000001337	1	43	0.0	-10.53	343.22	4.57	-5.96
CCCC(NC(=O)C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3)C1=NNN=N1	REAL000000001338	1	42	0.0	-9.67	366.76	4.36	-5.32
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1)C1=NNN=N1	REAL000000001339	1	46	0.0	-13.37	391.71	6.54	-6.83
CCCC(NC(=O)C1=CC(N2CCOCC2)=CC=N1)C1=NNN=N1	REAL000000001340	1	45	0.0	-9.24	352.05	0.44	-8.80
CCCC(NC(=O)C1=CSC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001341	1	36	0.0	-10.44	336.62	3.50	-6.94
CCCC(NC(=O)C1=C(C)N(C2CC2)C(C)=C1)C1=NNN=N1	REAL000000001342	1	44	0.0	-11.51	353.48	5.74	-5.76
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)C=C1)C1=NNN=N1	REAL000000001343	1	45	0.0	-11.78	380.77	4.67	-7.12
CCCC(NC(=O)C=CC1=CC=C(OCC#N)C=C1)C1=NNN=N1	REAL000000001344	1	42	0.0	-18.04	362.89	4.87	-13.17
CCCC(NC(=O)C1=CC=C(N2N=CC(C(=O)OCC)=C2C)C=C1)C1=NNN=N1	REAL000000001345	1	52	0.0	-15.57	429.49	6.80	-8.78
CCCC(NC(=O)CN1C(=O)N(CC)C2=CC=CC=C21)C1=NNN=N1	REAL000000001346	1	46	0.0	-18.51	383.75	6.04	-12.47
CCCC(NC(=O)CSC1=NC(C)=C(C)C(C)=C1C#N)C1=NNN=N1	REAL000000001347	1	46	0.0	-16.25	392.35	5.14	-11.11
CCCC(NC(=O)C1=CC2=C(C)C=C(C)C=C2N1)C1=NNN=N1	REAL000000001348	1	43	0.0	-11.32	353.64	4.89	-6.43
CCCC(NC(=O)C=CC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000001349	1	42	0.0	-15.36	359.19	-0.52	-15.88
CCCC(NC(=O)CCC1=CC=C(C)C(Cl)=C1)C1=NNN=N1	REAL000000001350	1	42	0.0	-7.69	351.99	5.90	-1.78
CCCC(NC(=O)C1=CC(C)=C(C)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000001351	1	44	0.0	-16.21	356.37	-0.45	-16.66
CCCC(NC(=O)CC1=C(C2=CC=C(C)C=C2)N=C(C)S1)C1=NNN=N1	REAL000000001352	1	48	0.0	-14.27	401.66	6.12	-8.15
CCCC(NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000001353	1	44	0.0	-16.03	374.73	0.71	-15.32
CCCC(NC(=O)C1=CC=C(OCC)C(OC)=C1)C1=NNN=N1	REAL000000001354	1	44	0.0	-13.87	358.20	3.83	-10.04
CCCC(NC(=O)C1=CC=C(OC)C(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000001355	1	45	0.0	-21.04	382.22	-0.31	-21.36
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)CC)C=C1)C1=NNN=N1	REAL000000001356	1	50	0.0	-15.96	415.15	2.16	-13.80
CCCC(NC(=O)C1=CC=C2C(=O)N3CCCCCC3=NC2=C1)C1=NNN=N1	REAL000000001357	1	51	0.0	-16.65	400.51	6.07	-10.58
CCCC(NC(=O)CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000001358	1	53	0.0	-20.28	436.92	7.19	-13.09
CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001359	1	43	0.0	-11.29	350.49	4.73	-6.56
CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCC	REAL000000001360	1	50	0.0	-13.49	401.55	5.56	-7.93
CCCC(NC(=O)C1=CC=C(CSC)C=C1)C1=NNN=N1	REAL000000001361	1	40	0.0	-11.52	343.85	5.54	-5.99
CCCC(NC(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000001362	1	39	0.0	-13.98	322.19	2.82	-11.15
CCCC(NC(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000001363	1	40	0.0	-12.61	350.97	5.85	-6.77
CCCC(NC(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)S1)C1=NNN=N1	REAL000000001364	1	42	0.0	-12.59	383.69	5.98	-6.61
CCCC(NC(=O)CCCSC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001365	1	43	0.0	-12.87	380.77	6.88	-5.98
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2F)C1)C1=NNN=N1	REAL000000001366	1	44	0.0	-19.52	371.28	4.96	-14.56
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(NC(C)=O)=C1)C1=NNN=N1	REAL000000001367	1	47	0.0	-26.15	389.93	1.48	-24.67
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC(CCC)C1=NNN=N1	REAL000000001368	1	42	0.0	-18.80	357.14	4.96	-13.83
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=N2)CC1)C1=NNN=N1	REAL000000001369	1	48	0.0	-15.60	390.41	4.62	-10.98
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)C1=NNN=N1	REAL000000001370	1	47	0.0	-12.78	392.64	6.69	-6.09
CCCC(NC(=O)C1=CC=C(C)C(N2C=CC=C2)=C1)C1=NNN=N1	REAL000000001371	1	44	0.0	-13.74	359.76	7.21	-6.53
CCCC(NC(=O)CC1=CC=C2OCCC2=C1)C1=NNN=N1	REAL000000001372	1	41	0.0	-11.06	331.06	3.85	-7.21
CCCC(NC(=O)CNC(=O)NC1=CC=CC=C1)C1=NNN=N1	REAL000000001373	1	42	0.0	-13.32	351.45	1.39	-11.93
CCCC(NC(=O)C=CC1=CC2=CC=CC=C2O1)C1=NNN=N1	REAL000000001374	1	40	0.0	-11.64	342.47	5.42	-6.22
CCCC(NC(=O)C=CC1=CC=C2OCCC2=C1)C1=NNN=N1	REAL000000001375	1	42	0.0	-9.63	340.95	4.38	-5.25
CCCC(NC(=O)CN1C(=O)C(C)OC2=CC=CC=C21)C1=NNN=N1	REAL000000001376	1	45	0.0	-18.53	369.16	3.80	-14.73
CCCC(NC(=O)C1=C(C)C=C(NC(=O)C2=CC=CO2)S1)C1=NNN=N1	REAL000000001377	1	44	0.0	-11.58	375.62	3.15	-8.43
CCCC(NC(=O)C(C)NC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001378	1	40	0.0	-11.57	348.41	1.99	-9.58
CCCC(NC(=O)C=CC1=CC=C(N2CCCC2=O)C=C1)C1=NNN=N1	REAL000000001379	1	48	0.0	-14.50	382.69	5.66	-8.84
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)N=N1)C1=NNN=N1	REAL000000001380	1	39	0.0	-10.67	356.31	3.96	-6.71
CCCC(NC(=O)C=CC1=C(Cl)N(C)N=C1C)C1=NNN=N1	REAL000000001381	1	40	0.0	-11.50	353.85	3.66	-7.84
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(C)C=C2)O1)C1=NNN=N1	REAL000000001382	1	48	0.0	-10.31	393.11	3.95	-6.35
CCCC(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NN1)C1=NNN=N1	REAL000000001384	1	40	0.0	-12.67	351.53	4.36	-8.31
CCCC(NC(=O)CCOC1=CC=CC=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000001385	1	50	0.0	-11.99	410.96	7.74	-4.25
CCCC(NC(=O)C1=CC=C(S(C)=O)C=C1)C1=NNN=N1	REAL000000001386	1	38	0.0	-19.78	322.72	1.93	-17.86
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C2=C1CCC2)C1=NNN=N1	REAL000000001387	1	47	0.0	-13.67	384.60	6.57	-7.10
CCCC(NC(=O)C1=CC=C(N2CCNC2=O)C=C1)C1=NNN=N1	REAL000000001388	1	43	0.0	-16.96	350.08	2.40	-14.56
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C(C)C)C1=NNN=N1	REAL000000001389	1	44	0.0	-10.24	357.60	4.06	-6.18
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C(C)C)=C1)C1=NNN=N1	REAL000000001390	1	46	0.0	-13.54	372.37	2.41	-11.13
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001391	1	44	0.0	-14.46	358.08	2.68	-11.78
CCCC(NC(=O)C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001392	1	51	0.0	-13.88	423.51	8.12	-5.76
CCCC(NC(=O)C1CCN(C2=NC3=CC=CC=C3O2)CC1)C1=NNN=N1	REAL000000001393	1	50	0.0	-15.78	399.60	2.54	-13.25
CCCC(NC(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=NNN=N1	REAL000000001395	1	41	0.0	-13.70	356.92	3.27	-10.44
CCCC(NC(=O)CC1SC2=CC=C(Cl)C=C2NC1=O)C1=NNN=N1	REAL000000001396	1	42	0.0	-11.85	375.49	3.85	-8.00
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000001397	1	44	0.0	-18.48	356.96	4.64	-13.84
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=N1)C1=NNN=N1	REAL000000001398	1	39	0.0	-10.78	351.75	3.86	-6.91
CCCC(NC(=O)C1=CSC2=CC=CC=C12)C1=NNN=N1	REAL000000001399	1	36	0.0	-12.33	312.10	4.97	-7.37
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C1=NNN=N1	REAL000000001400	1	46	0.0	-17.14	405.49	8.19	-8.95
CCCC(NC(=O)C1=C(C)N=C2C=C(F)C=CC2=C1)C1=NNN=N1	REAL000000001402	1	41	0.0	-10.30	334.51	4.41	-5.89
C#CCNS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001403	1	43	0.0	-17.39	381.10	1.17	-16.22
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCCOC)C=C1)C1=NNN=N1	REAL000000001404	1	48	0.0	-17.22	408.69	-0.22	-17.44
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C)C=C1)C1=NNN=N1	REAL000000001405	1	50	0.0	-15.65	411.66	3.08	-12.57
CCCC(NC(=O)C1=CC=C2C=C(OC)C=CC2=N1)C1=NNN=N1	REAL000000001406	1	42	0.0	-11.25	350.54	3.39	-7.86
CCCC(NC(=O)CCC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000001407	1	45	0.0	-9.97	360.50	6.27	-3.70
CCCC(NC(=O)C1=CC(Cl)=C(OCC(N)=O)C(OC)=C1)C1=NNN=N1	REAL000000001408	1	45	0.0	-17.90	394.92	1.51	-16.39
CCCC(NC(=O)C1=CC(S(=O)(=O)NC2CC2)=CC=C1C)C1=NNN=N1	REAL000000001409	1	48	0.0	-12.14	395.61	1.87	-10.27
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000001410	1	51	0.0	-13.53	424.03	6.07	-7.46
CCCC(NC(=O)C1=C2C=NN(CC)C2=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001411	1	51	0.0	-14.60	418.23	7.26	-7.35
CCCC(NC(=O)C1=CC(OC)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001412	1	39	0.0	-8.70	328.20	3.31	-5.40
CCCC(NC(=O)C1=C2C=NN(C(C)C)C2=NC(C)=C1)C1=NNN=N1	REAL000000001413	1	47	0.0	-14.68	384.00	4.93	-9.75
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2F)O1)C1=NNN=N1	REAL000000001414	1	45	0.0	-11.30	379.23	3.38	-7.92
CCCC(NC(=O)CCOC1=CC=CC(C)=C1C)C1=NNN=N1	REAL000000001415	1	46	0.0	-8.58	362.11	4.94	-3.64
CCCC(NC(=O)C=CC1=CC=CC(OCC2=CSC(C)=N2)=C1)C1=NNN=N1	REAL000000001416	1	50	0.0	-14.22	428.56	5.95	-8.27
CCCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)C1=NNN=N1	REAL000000001417	1	44	0.0	-16.37	358.36	0.34	-16.03
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000001418	1	49	0.0	-14.50	416.29	8.52	-5.98
CCCC(NC(=O)C=CC1=C2N=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001419	1	42	0.0	-17.58	353.08	5.38	-12.20
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(C)=NN2C)C1=NNN=N1	REAL000000001420	1	53	0.0	-13.76	410.36	5.35	-8.41
CCCC(NC(=O)COC1=CC=C(OC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001421	1	48	0.0	-15.45	399.96	7.05	-8.40
CCCC(NC(=O)C=CC1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000001422	1	44	0.0	-18.10	368.55	3.75	-14.35
CCCC(NC(=O)C1=CC(Cl)=C(Cl)N1)C1=NNN=N1	REAL000000001423	1	31	0.0	-9.69	298.67	2.36	-7.33
CCCC(NC(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000001424	1	41	0.0	-14.17	337.27	2.40	-11.77
CCCC(NC(=O)CCNC(=O)CC1=CC=CC=C1)C1=NNN=N1	REAL000000001425	1	46	0.0	-17.58	376.28	3.13	-14.46
CCCC(NC(=O)C=CC1=CC=C(OCC2=CSC(C)=N2)C=C1)C1=NNN=N1	REAL000000001426	1	50	0.0	-13.62	428.50	5.96	-7.66
CCCC(NC(=O)CCC1CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000001427	1	47	0.0	-12.41	379.38	4.04	-8.36
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=NNN=N1	REAL000000001428	1	42	0.0	-12.80	357.74	4.20	-8.60
CCCC(NC(=O)CC1=C(C)NC2=CC=CC=C21)C1=NNN=N1	REAL000000001429	1	43	0.0	-13.81	353.70	4.89	-8.92
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2Cl)O1)C1=NNN=N1	REAL000000001430	1	45	0.0	-13.03	394.23	4.01	-9.02
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)C1=NNN=N1	REAL000000001431	1	45	0.0	-9.83	388.48	3.79	-6.04
CCCC(NC(=O)CCC1=NC=C(C2=CC=C(F)C=C2F)O1)C1=NNN=N1	REAL000000001432	1	45	0.0	-14.23	393.65	3.82	-10.41
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1)C1=NNN=N1	REAL000000001433	1	48	0.0	-10.83	396.74	6.35	-4.49
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC)C=C2)N=N1)C1=NNN=N1	REAL000000001434	1	46	0.0	-11.46	381.09	3.15	-8.30
CCCC(NC(=O)C1=CC(C2=CC=C(C)C=C2)=NN1)C1=NNN=N1	REAL000000001435	1	43	0.0	-9.16	353.38	4.03	-5.14
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1)C1=NNN=N1	REAL000000001436	1	40	0.0	-11.35	355.90	4.19	-7.15
CCCC(NC(=O)C1=CC=C(NC(N)=O)C=C1)C1=NNN=N1	REAL000000001437	1	39	0.0	-19.43	326.91	-0.26	-19.69
CCCC(NC(=O)C1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=NNN=N1	REAL000000001438	1	39	0.0	-9.61	353.10	5.19	-4.42
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=NNN=N1	REAL000000001439	1	39	0.0	-11.24	344.44	4.80	-6.43
CCCC(NC(=O)C1CC(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000001440	1	41	0.0	-14.70	337.94	2.67	-12.03
CCCC(NC(=O)C1=CC=C(SCC2=CSC(C)=N2)C=C1)C1=NNN=N1	REAL000000001441	1	46	0.0	-10.62	398.56	5.91	-4.71
CCCC(NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C1=NNN=N1	REAL000000001442	1	43	0.0	-11.37	372.01	5.77	-5.60
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=NNN=N1	REAL000000001443	1	44	0.0	-11.44	397.24	8.14	-3.30
CCCC(NC(=O)CCC1=NC(C2=CC=C(C(C)C)C=C2)=NO1)C1=NNN=N1	REAL000000001444	1	53	0.0	-12.75	434.81	5.71	-7.04
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=NNN=N1	REAL000000001445	1	50	0.0	-14.77	410.38	7.60	-7.16
CCCC(NC(=O)C1=CN=C2C(=C1)C(C)=NN2C)C1=NNN=N1	REAL000000001446	1	41	0.0	-13.43	344.17	3.41	-10.02
CCCC(NC(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000001447	1	43	0.0	-13.64	362.82	4.18	-9.47
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C(OC)=C2N1)C1=NNN=N1	REAL000000001448	1	49	0.0	-13.19	407.34	2.86	-10.33
CCCC(NC(=O)CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000001449	1	48	0.0	-21.50	387.14	6.91	-14.59
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001450	1	45	0.0	-18.38	378.71	3.47	-14.91
CCCC(NC(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000001451	1	42	0.0	-12.77	360.26	3.82	-8.96
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2OC)=C1)C1=NNN=N1	REAL000000001452	1	43	0.0	-11.63	367.26	4.11	-7.51
CCCC(NC(=O)COC1=CC=CC(C(C)C)=C1)C1=NNN=N1	REAL000000001453	1	46	0.0	-14.14	371.48	6.15	-7.99
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C)=C1)C1=NNN=N1	REAL000000001454	1	44	0.0	-14.35	355.94	3.99	-10.36
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000001455	1	45	0.0	-11.09	357.22	0.42	-10.66
CCCC(NC(=O)C1=C(C)N=C(COC2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000001456	1	46	0.0	-9.87	392.95	4.47	-5.40
CCCC(NC(=O)CCN1C(=O)N(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000001457	1	46	0.0	-15.71	382.97	5.54	-10.17
CCCC(NC(=O)C1=CC2=C(OC(F)F)C=CC=C2N1)C1=NNN=N1	REAL000000001458	1	41	0.0	-14.79	350.84	3.16	-11.63
CCCC(NC(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001459	1	45	0.0	-12.99	378.94	3.62	-9.38
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=NNN=N1	REAL000000001460	1	40	0.0	-11.74	345.58	3.75	-7.99
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=C(C)C=C2)C1)C1=NNN=N1	REAL000000001461	1	53	0.0	-13.22	416.16	6.11	-7.10
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C)=C1)C1=NNN=N1	REAL000000001462	1	40	0.0	-15.88	329.92	1.29	-14.59
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000001463	1	44	0.0	-11.67	362.83	2.09	-9.58
CCCC(NC(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=NNN=N1	REAL000000001464	1	43	0.0	-15.98	361.50	5.29	-10.69
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=C(C)OC(C)=C2)=C1)C1=NNN=N1	REAL000000001465	1	50	0.0	-14.49	408.38	4.58	-9.91
CCCC(NC(=O)CCCNC(=O)C(C)(C)C)C1=NNN=N1	REAL000000001466	1	48	0.0	-14.23	383.38	2.54	-11.69
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CS1)C1=NNN=N1	REAL000000001467	1	42	0.0	-14.47	358.16	-0.15	-14.62
CCCC(NC(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=NNN=N1	REAL000000001469	1	41	0.0	-14.24	344.81	4.67	-9.57
CCCC(NC(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=NNN=N1	REAL000000001470	1	42	0.0	-14.90	349.06	6.40	-8.50
CCCC(NC(=O)C1=CC=C(N2CCOCC2)N=C1)C1=NNN=N1	REAL000000001471	1	45	0.0	-9.11	352.19	1.56	-7.54
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC(C)=C2C)C1)C1=NNN=N1	REAL000000001472	1	50	0.0	-16.35	400.94	6.47	-9.88
CCCC(NC(=O)C(C)N1C(=O)OC2=CC=CC=C21)C1=NNN=N1	REAL000000001473	1	42	0.0	-18.91	341.93	4.67	-14.24
CCCC(NC(=O)CCC1=C(C)NC(=O)NC1=O)C1=NNN=N1	REAL000000001474	1	42	0.0	-17.73	349.13	-0.21	-17.95
CCCC(NC(=O)C1CC2=CC=CC=C2S1)C1=NNN=N1	REAL000000001475	1	38	0.0	-8.71	318.12	4.84	-3.87
CCCC(NC(=O)C1=C(C)N(C2=NOC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000001476	1	46	0.0	-12.48	371.45	6.31	-6.17
CCCC(NC(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000001477	1	43	0.0	-16.87	354.71	4.75	-12.12
CCCC(NC(=O)C1=CC=C(SC(F)F)C=C1)C1=NNN=N1	REAL000000001478	1	37	0.0	-11.17	327.38	4.92	-6.25
CCCC(NC(=O)C=CC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001479	1	43	0.0	-12.83	355.57	6.99	-5.84
CCCC(NC(=O)CCN1C=NC2=C(C=CS2)C1=O)C1=NNN=N1	REAL000000001480	1	41	0.0	-19.49	359.58	4.38	-15.11
CCCC(NC(=O)C1=CC=CC(N2CCCS2(=O)=O)=C1)C1=NNN=N1	REAL000000001481	1	45	0.0	-24.71	368.01	1.93	-22.78
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001482	1	46	0.0	-16.03	400.80	6.91	-9.12
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1=NNN=N1	REAL000000001483	1	39	0.0	-11.37	346.27	1.77	-9.60
CCCC(NC(=O)CNC(=O)NCC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000001484	1	48	0.0	-12.29	398.68	2.20	-10.08
CCCC(NC(=O)CNC(=O)NCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001485	1	45	0.0	-12.85	383.68	1.60	-11.25
CCCC(NC(=O)C=CC1=CC=C(SC(F)(F)F)C=C1)C1=NNN=N1	REAL000000001486	1	41	0.0	-7.91	361.21	5.98	-1.93
CCCC(NC(=O)COC1=CC=CC=C1C(C)CC)C1=NNN=N1	REAL000000001487	1	49	0.0	-13.82	388.34	6.86	-6.96
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2OC1)C1=NNN=N1	REAL000000001488	1	39	0.0	-7.85	337.65	4.45	-3.40
CCCC(NC(=O)CN1C(=O)COC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000001489	1	42	0.0	-16.66	365.55	3.63	-13.04
CCCC(NC(=O)C1=CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000001490	1	39	0.0	-13.62	326.92	2.99	-10.63
CCCC(NC(=O)CSC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000001491	1	49	0.0	-12.01	397.03	7.13	-4.88
CCCC(NC(=O)C1CC2=CC=C(C)C=C2S1)C1=NNN=N1	REAL000000001492	1	41	0.0	-11.40	347.37	5.83	-5.57
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000001493	1	41	0.0	-16.47	351.13	0.38	-16.09
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1=CSC(C)=N1)C1=NNN=N1	REAL000000001494	1	50	0.0	-14.93	427.44	6.02	-8.91
CCCC(NC(=O)CCC1=NC(C2=CC=C(OC)C=C2)=NO1)C1=NNN=N1	REAL000000001495	1	48	0.0	-11.35	396.87	2.77	-8.58
CCCC(NC(=O)CCC1=CC=C(OC)C(Cl)=C1)C1=NNN=N1	REAL000000001496	1	43	0.0	-12.62	369.29	5.00	-7.63
CCCC(NC(=O)C1CC(=O)N(C2=CC=CC=C2OC)C1)C1=NNN=N1	REAL000000001497	1	48	0.0	-19.67	394.23	4.30	-15.38
CCCC(NC(=O)C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1)C1=NNN=N1	REAL000000001499	1	51	0.0	-14.65	414.90	3.89	-10.76
CCCC(NC(=O)CN1N=C2C=CC=CN2C1=O)C1=NNN=N1	REAL000000001502	1	39	0.0	-21.42	336.06	4.04	-17.38
CCCC(NC(=O)C1=CC=CC(CN2C(=O)CSC2=O)=C1)C1=NNN=N1	REAL000000001503	1	44	0.0	-17.40	383.33	4.44	-12.96
CCCC(NC(=O)C1CCN(C2=NN3N=NN=C3C=C2)CC1)C1=NNN=N1	REAL000000001504	1	48	0.0	-27.86	386.05	3.54	-24.33
CCCC(NC(=O)C1=NN2C(=N1)N=CC=C2C)C1=NNN=N1	REAL000000001505	1	37	0.0	-20.20	320.18	4.38	-15.82
CCCC(NC(=O)C1CSC2(C)CCC(=O)N12)C1=NNN=N1	REAL000000001506	1	42	0.0	-15.00	337.91	3.64	-11.35
CCCC(NC(=O)C1=NC(SC)=NC=C1Cl)C1=NNN=N1	REAL000000001508	1	35	0.0	-7.42	318.50	2.44	-4.98
CCCC(NC(=O)C1=CC=C(C2=NC(C)=NO2)C=C1)C1=NNN=N1	REAL000000001509	1	41	0.0	-12.75	350.08	3.00	-9.75
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001510	1	47	0.0	-19.17	389.68	5.69	-13.48
CCCC(NC(=O)C1=CC2=CC(OC)=CC(OC)=C2N1)C1=NNN=N1	REAL000000001511	1	45	0.0	-9.99	363.31	1.86	-8.14
CCCC(NC(=O)CCC1=NN=C(C2=CSC=C2)O1)C1=NNN=N1	REAL000000001512	1	41	0.0	-14.39	365.41	-0.02	-14.41
CCCC(NC(=O)CSC1=NN=CN1C(C)C)C1=NNN=N1	REAL000000001513	1	42	0.0	-14.42	361.06	5.37	-9.05
CCCC(NC(=O)CSC1=NN=NN1C1CCCC1)C1=NNN=N1	REAL000000001514	1	45	0.0	-12.92	381.00	3.81	-9.10
CCCC(NC(=O)CSC1=NN=NN1C1CC1)C1=NNN=N1	REAL000000001515	1	39	0.0	-11.61	340.26	2.24	-9.37
CCCC(NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=C(C)C=C2)=C1)C1=NNN=N1	REAL000000001516	1	50	0.0	-12.53	399.31	4.73	-7.80
CCCC(NC(=O)C1=CC=C(C(=O)OC)N=C1)C1=NNN=N1	REAL000000001517	1	38	0.0	-12.50	328.45	2.50	-10.00
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=C(C)S1)C1=NNN=N1	REAL000000001518	1	47	0.0	-12.31	398.30	6.27	-6.04
CCCC(NC(=O)CC1=C(C)N=C2C=CC=CC2=C1C)C1=NNN=N1	REAL000000001519	1	47	0.0	-16.66	374.30	5.57	-11.09
CCCC(NC(=O)C1=CC=C2N=C(CC)C(CC)=NC2=C1)C1=NNN=N1	REAL000000001520	1	49	0.0	-11.76	386.12	4.26	-7.50
CCCC(NC(=O)C1=CC(SC)=CC=C1C)C1=NNN=N1	REAL000000001521	1	40	0.0	-9.55	333.97	5.36	-4.20
CCCC(NC(=O)C1=C(Cl)C2=C(C)C=CC=C2S1)C1=NNN=N1	REAL000000001522	1	39	0.0	-11.11	344.06	6.01	-5.10
CCCC(NC(=O)C1C2CC3CC(C2)CC1C3)C1=NNN=N1	REAL000000001523	1	47	0.0	-9.34	337.96	5.50	-3.84
CCCC(NC(=O)CCCOC1=CC=CC=C1C)C1=NNN=N1	REAL000000001524	1	46	0.0	-13.71	373.80	5.50	-8.22
CCCC(NC(=O)CSCC1=CN2C=C(C)C=CC2=N1)C1=NNN=N1	REAL000000001525	1	46	0.0	-20.17	395.15	6.83	-13.34
CCCC(NC(=O)C1=NN(C2=NNC=N2)C(C)=N1)C1=NNN=N1	REAL000000001526	1	38	0.0	-21.24	329.81	4.99	-16.24
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)N=C1)C1=NNN=N1	REAL000000001528	1	38	0.0	-13.69	328.12	5.51	-8.18
CCCC(NC(=O)C1=CN=C2ON=C(C)C2=C1)C1=NNN=N1	REAL000000001529	1	37	0.0	-12.99	316.16	1.09	-11.90
CCCC(NC(=O)CCCOC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001530	1	43	0.0	-13.93	360.14	4.80	-9.13
CCCC(NC(=O)CN1C(=S)N=NC1C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001531	1	43	0.0	-18.19	389.74	4.75	-13.44
CCCC(NC(=O)CN1C(=S)N=NC1C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000001532	1	46	0.0	-14.16	387.20	4.57	-9.58
CCCC(NC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O)C1=NNN=N1	REAL000000001534	1	54	0.0	-15.45	421.71	3.66	-11.79
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001535	1	51	0.0	-11.16	403.82	6.69	-4.47
CCCC(NC(=O)C1=CC=C(COC2=CC=C(F)C=C2)O1)C1=NNN=N1	REAL000000001536	1	44	0.0	-10.00	372.97	4.83	-5.17
CCCC(NC(=O)COC1=CC=C2OC3=C(CCCC3)C2=C1)C1=NNN=N1	REAL000000001537	1	50	0.0	-17.86	402.21	7.25	-10.62
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=NNN=N1	REAL000000001538	1	40	0.0	-16.14	343.38	2.91	-13.23
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001539	1	47	0.0	-13.45	359.05	5.90	-7.55
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=NNN=N1	REAL000000001540	1	39	0.0	-13.46	333.31	4.14	-9.32
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000001541	1	50	0.0	-19.11	415.47	3.27	-15.84
CCCC(NC(=O)C1=CC=C(C(=O)OC)S1)C1=NNN=N1	REAL000000001542	1	36	0.0	-8.83	319.70	3.12	-5.72
CCCC(NC(=O)CCN1C=NC2=C(C=NN2C)C1=O)C1=NNN=N1	REAL000000001543	1	44	0.0	-19.01	372.27	4.04	-14.97
CCCC(NC(=O)C1=C(C)N2N=C(C)C=C2N=C1)C1=NNN=N1	REAL000000001544	1	41	0.0	-10.32	330.76	3.48	-6.85
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000001545	1	44	0.0	-11.81	359.12	2.94	-8.87
CCCC(NC(=O)CCCNC(=O)NC1CCCCC1)C1=NNN=N1	REAL000000001546	1	54	0.0	-12.95	416.05	2.37	-10.58
CCCC(NC(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C1=NNN=N1	REAL000000001547	1	39	0.0	-19.75	334.23	0.67	-19.08
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1F)C1=NNN=N1	REAL000000001548	1	33	0.0	-12.25	301.12	3.94	-8.31
CCCC(NC(=O)C1=CSC2=C1CCC(C)C2)C1=NNN=N1	REAL000000001549	1	43	0.0	-10.27	349.49	5.83	-4.44
CCCCC1CCC(C(=O)NC(CCC)C2=NNN=N2)CC1	REAL000000001550	1	51	0.0	-9.28	379.05	6.58	-2.70
CCCC(NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1)C1=NNN=N1	REAL000000001551	1	57	0.0	-8.43	416.53	3.96	-4.47
CCCC(NC(=O)C1=CC=C(CN2C=CC=CC2=O)O1)C1=NNN=N1	REAL000000001552	1	43	0.0	-21.74	369.07	4.58	-17.17
CCCC(NC(=O)CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001553	1	46	0.0	-14.79	390.65	4.26	-10.53
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001554	1	47	0.0	-18.41	396.57	6.87	-11.54
CCCC(NC(=O)C(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000001557	1	48	0.0	-14.06	403.52	5.71	-8.36
CCCC(NC(=O)CC1=C2N=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001558	1	41	0.0	-12.21	335.21	4.51	-7.70
CCCC(NC(=O)COC1=CC=C2NC(=O)CCC2=C1)C1=NNN=N1	REAL000000001559	1	45	0.0	-18.19	371.11	3.40	-14.79
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C(C)C)C=C2)C(C)=C1)C1=NNN=N1	REAL000000001560	1	56	0.0	-10.97	444.52	9.53	-1.44
CCCC(NC(=O)C(C)NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000001561	1	55	0.0	-11.25	432.37	5.34	-5.92
CCCC(NC(=O)C1OC2=CC=CC=C2OC1C)C1=NNN=N1	REAL000000001562	1	42	0.0	-14.12	336.55	4.80	-9.32
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=NNN=N1	REAL000000001573	1	44	0.0	-18.40	385.34	1.01	-17.39
CCCC(NC(=O)C1=C2C=NN(CC3=CC=CS3)C2=NC(C)=C1)C1=NNN=N1	REAL000000001574	1	48	0.0	-11.42	406.10	5.98	-5.43
CCCC(NC(=O)C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=NNN=N1	REAL000000001575	1	44	0.0	-10.86	397.23	8.14	-2.72
CCCC(NC(=O)C1=CSC(COC2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000001576	1	43	0.0	-12.25	383.20	4.03	-8.22
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)C1)C1=NNN=N1	REAL000000001577	1	46	0.0	-16.78	383.62	0.86	-15.92
CCCC(NC(=O)C1=CC=C(C)C(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000001578	1	44	0.0	-21.39	368.78	1.16	-20.23
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C(C)C)=CC=C1F)C1=NNN=N1	REAL000000001579	1	50	0.0	-16.46	416.21	3.15	-13.31
CCCC(NC(=O)COC1=CC=C(OC2=CC=CC=N2)C=C1)C1=NNN=N1	REAL000000001580	1	47	0.0	-17.75	397.91	4.56	-13.19
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=C1)C1=NNN=N1	REAL000000001581	1	46	0.0	-12.87	375.02	5.89	-6.98
CCCC(NC(=O)CC1=C(C)N(C2=NC(C)=CC(C)=N2)N=C1C)C1=NNN=N1	REAL000000001582	1	53	0.0	-23.57	431.98	7.94	-15.63
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C1=NNN=N1	REAL000000001583	1	42	0.0	-14.86	349.72	5.00	-9.86
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000001584	1	39	0.0	-11.66	335.02	3.35	-8.31
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)CC)=C1)C1=NNN=N1	REAL000000001585	1	44	0.0	-23.34	376.45	1.17	-22.17
CCCC(NC(=O)C1=CSC(C2=CC=C(C(C)C)C=C2)=N1)C1=NNN=N1	REAL000000001586	1	48	0.0	-9.78	405.15	6.39	-3.39
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=C1)C1=NNN=N1	REAL000000001587	1	46	0.0	-12.37	376.69	5.92	-6.45
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)CCC)=C1)C1=NNN=N1	REAL000000001588	1	47	0.0	-18.89	390.75	1.64	-17.25
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C(F)(F)F)=C2)N=C1)C1=NNN=N1	REAL000000001589	1	46	0.0	-13.92	392.34	6.22	-7.70
CCCC(NC(=O)CSCC(=O)N1CCCCC1)C1=NNN=N1	REAL000000001590	1	47	0.0	-21.22	384.02	4.29	-16.93
CCCC(NC(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=NNN=N1	REAL000000001591	1	41	0.0	-15.28	356.13	1.80	-13.48
CCCC(NC(=O)CN1N=NC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001592	1	41	0.0	-15.82	346.88	3.00	-12.82
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)S1)C1=NNN=N1	REAL000000001593	1	44	0.0	-12.07	389.89	7.80	-4.26
CCCC(NC(=O)CSC1=CC=CC=[N+]1[O-])C1=NNN=N1	REAL000000001594	1	37	0.0	-30.30	319.65	2.98	-27.32
CCCC(NC(=O)C1CC(=O)N(CCOC)C1)C1=NNN=N1	REAL000000001595	1	44	0.0	-12.22	352.90	0.99	-11.23
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=NNN=N1	REAL000000001598	1	41	0.0	-22.26	364.30	0.49	-21.76
CCCC(NC(=O)CN1N=NC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000001599	1	41	0.0	-17.77	370.77	3.85	-13.92
CCCC(NC(=O)COC1CC(C)CCC1C(C)C)C1=NNN=N1	REAL000000001600	1	55	0.0	-12.38	411.42	6.65	-5.72
CCCC(NC(=O)CSCC(=O)N(C)C1CCCCC1)C1=NNN=N1	REAL000000001601	1	53	0.0	-18.01	415.03	5.31	-12.70
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=N1)C1=NNN=N1	REAL000000001602	1	38	0.0	-10.68	329.90	2.59	-8.09
CCCC(NC(=O)C1CCN(C(=O)C(C)C)CC1)C1=NNN=N1	REAL000000001603	1	49	0.0	-18.10	378.61	4.06	-14.04
CCCC(NC(=O)C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1)C1=NNN=N1	REAL000000001604	1	39	0.0	-10.68	352.42	1.29	-9.39
CCCC(NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1)C1=NNN=N1	REAL000000001605	1	45	0.0	-15.76	376.64	2.87	-12.89
CCCC(NC(=O)CCC1=C(C)N(CCC#N)N=C1C)C1=NNN=N1	REAL000000001606	1	49	0.0	-16.77	408.32	5.30	-11.47
CCCC(NC(=O)CN1C=CC=C(C(F)(F)F)C1=O)C1=NNN=N1	REAL000000001607	1	39	0.0	-26.46	344.31	3.97	-22.49
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001608	1	42	0.0	-18.54	369.71	2.41	-16.13
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001609	1	37	0.0	-12.16	334.12	5.00	-7.16
CCCC(NC(=O)COC1=CC=C(C(C)(C)C)C=C1C(C)(C)C)C1=NNN=N1	REAL000000001610	1	61	0.0	-12.24	458.61	9.10	-3.14
CCCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000001611	1	46	0.0	-8.34	359.12	1.03	-7.30
CCCC(NC(=O)C(=O)NC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001612	1	37	0.0	-7.47	324.46	2.11	-5.35
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2F)C1)C1=NNN=N1	REAL000000001613	1	44	0.0	-12.67	370.55	4.71	-7.96
CCCC(NC(=O)C1=C(C)SC(C2=CC=CO2)=N1)C1=NNN=N1	REAL000000001614	1	39	0.0	-11.92	345.60	3.32	-8.61
CCCC(NC(=O)C1=NOC(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000001615	1	36	0.0	-9.41	328.39	3.82	-5.59
CCCC(NC(=O)CSC1=NN=CN1C1=CC=CC=C1CC)C1=NNN=N1	REAL000000001616	1	49	0.0	-14.20	415.91	8.48	-5.72
CCCC(NC(=O)CSCC1=CC(=O)N2C=CSC2=N1)C1=NNN=N1	REAL000000001617	1	42	0.0	-18.66	376.22	4.39	-14.27
CCCC(NC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000001618	1	46	0.0	-15.23	396.24	4.08	-11.16
CCCC(NC(=O)CN1N=C2CCCCCN2C1=O)C1=NNN=N1	REAL000000001619	1	46	0.0	-18.17	362.70	4.06	-14.11
CCCC(NC(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000001620	1	44	0.0	-17.58	354.88	4.42	-13.16
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000001621	1	46	0.0	-14.57	399.31	7.98	-6.59
CCCC(NC(=O)CSC1=NN=CN1C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000001622	1	47	0.0	-15.06	407.39	6.62	-8.44
CCCC(NC(=O)CSC1=NN=CN1C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000001623	1	43	0.0	-11.74	387.44	7.50	-4.25
CCCC(NC(=O)C1=C2C(C)=NN(C)C2=NC(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000001624	1	48	0.0	-13.28	408.15	5.92	-7.36
CCCC(NC(=O)C1=CC(C)=C(OCC2=CC=CN=C2)C(C)=C1)C1=NNN=N1	REAL000000001625	1	52	0.0	-14.21	427.83	6.79	-7.42
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000001626	1	52	0.0	-10.25	426.22	7.97	-2.29
CCCC(NC(=O)C(C#N)=CC1=C(C)N(CCC(C)C)C(C)=C1)C1=NNN=N1	REAL000000001627	1	57	0.0	-12.48	454.90	8.56	-3.92
CCCC(NC(=O)C(C#N)=CC1=C(C)N(C2CCCCC2)C(C)=C1)C1=NNN=N1	REAL000000001628	1	58	0.0	-12.16	445.61	8.63	-3.53
CCCC(NC(=O)C1=CC2=CC=C(OC)C=C2N1)C1=NNN=N1	REAL000000001629	1	41	0.0	-11.80	340.89	2.89	-8.91
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C1=NNN=N1	REAL000000001630	1	37	0.0	-11.27	328.19	4.09	-7.17
CCCC(NC(=O)CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000001632	1	53	0.0	-12.31	417.25	4.25	-8.06
CCCC(NC(=O)CCC1=NC2=C(C=NN2C)C(=O)N1)C1=NNN=N1	REAL000000001633	1	44	0.0	-15.34	364.38	2.04	-13.30
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C(N)=O)C1)C1=NNN=N1	REAL000000001634	1	46	0.0	-14.65	382.88	0.60	-14.05
CCCC(NC(=O)CCNC1=CC=CC=C1C)C1=NNN=N1	REAL000000001637	1	44	0.0	-12.15	355.19	4.07	-8.08
CCCC(NC(=O)C1=CC(Cl)=CC=C1Br)C1=NNN=N1	REAL000000001638	1	33	0.0	-9.41	310.72	4.80	-4.61
CCCC(NC(=O)C1=CSC(C2=CC=CO2)=N1)C1=NNN=N1	REAL000000001639	1	36	0.0	-12.34	327.53	2.50	-9.84
CCCC(NC(=O)C=CC1=CC(Br)=C(O)C(OC)=C1)C1=NNN=N1	REAL000000001640	1	42	0.0	-12.86	372.83	2.68	-10.18
CCCC(NC(=O)C1=CC(C(C)C)=CC(C(C)C)=C1O)C1=NNN=N1	REAL000000001641	1	52	0.0	-11.11	405.27	6.10	-5.01
CCCC(NC(=O)C1=C(Cl)C2=C(C)C=C(C)C=C2S1)C1=NNN=N1	REAL000000001642	1	42	0.0	-10.73	365.47	6.68	-4.05
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O)C1=NNN=N1	REAL000000001644	1	58	0.0	-10.87	432.39	7.16	-3.70
CCCC(NC(=O)C1=C(C)N(C(C)C2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000001646	1	53	0.0	-10.88	402.90	7.72	-3.16
CCCC(NC(=O)C(C)OC1=CC=CC=C1F)C1=NNN=N1	REAL000000001647	1	40	0.0	-17.84	334.13	4.93	-12.91
CCCC(NC(=O)COC1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000001648	1	37	0.0	-13.40	333.86	4.79	-8.61
CCCC(NC(=O)C=CC1=CC=C(C(=O)NC)C=C1)C1=NNN=N1	REAL000000001649	1	44	0.0	-18.18	368.67	3.13	-15.05
CCCC(NC(=O)C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)C1=NNN=N1	REAL000000001650	1	50	0.0	-14.61	418.28	6.34	-8.27
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C=C1)C1=NNN=N1	REAL000000001651	1	40	0.0	-14.67	333.53	6.05	-8.62
CCCC(NC(=O)CC1=CSC(C2=CC=C(OCC)C=C2)=N1)C1=NNN=N1	REAL000000001652	1	49	0.0	-12.21	410.17	5.20	-7.01
CCCC(NC(=O)C1CCN(C2=NN3C=NN=C3C=C2)CC1)C1=NNN=N1	REAL000000001653	1	49	0.0	-23.54	390.69	6.65	-16.89
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000001654	1	51	0.0	-14.25	425.58	2.65	-11.60
CCCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)C1=NNN=N1	REAL000000001655	1	43	0.0	-16.54	351.66	-2.29	-18.83
C=CCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001656	1	41	0.0	-8.31	334.70	4.15	-4.15
CCCC(NC(=O)C1=CC=C(OCC2=CSC=N2)C(OC)=C1)C1=NNN=N1	REAL000000001657	1	47	0.0	-14.78	401.22	3.94	-10.84
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=NNN=N1	REAL000000001658	1	44	0.0	-11.39	368.25	3.39	-8.00
CCCC(NC(=O)CCNC(=O)C1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000001659	1	49	0.0	-17.86	397.73	4.70	-13.16
CCCC(NC(=O)C1=CC2=C(OC)C=CC(Br)=C2N1)C1=NNN=N1	REAL000000001660	1	41	0.0	-8.92	355.19	3.17	-5.75
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C1=NNN=N1	REAL000000001661	1	39	0.0	-10.56	350.97	1.45	-9.11
CCCC(NC(=O)C1=CC=CC(NC2=NC=CC=N2)=C1)C1=NNN=N1	REAL000000001662	1	43	0.0	-16.97	359.59	6.20	-10.77
CCCC(NC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1)C1=NNN=N1	REAL000000001663	1	47	0.0	-23.39	385.02	0.05	-23.34
CCCC(NC(=O)C1=CC=CC(OCC(N)=O)=C1)C1=NNN=N1	REAL000000001664	1	41	0.0	-24.27	345.79	1.08	-23.19
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(OC)C=C2)C1)C1=NNN=N1	REAL000000001665	1	48	0.0	-16.24	386.52	3.91	-12.33
CCCC(NC(=O)CN1CCS(=O)(=O)CC1)C1=NNN=N1	REAL000000001666	1	41	0.0	-18.20	336.48	-2.09	-20.29
CCCC(NC(=O)C1=C(Cl)C2=C(Cl)C=CC=C2S1)C1=NNN=N1	REAL000000001668	1	36	0.0	-9.92	333.83	5.56	-4.36
CCCC(NC(=O)C=CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000001669	1	48	0.0	-14.21	393.07	4.52	-9.69
CCCC(NC(=O)CCC1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000001670	1	43	0.0	-12.90	363.01	4.70	-8.20
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=NNN=N1	REAL000000001671	1	44	0.0	-12.60	360.18	3.03	-9.57
CCCC(NC(=O)C1=CC(C2=CC=CO2)=NN1)C1=NNN=N1	REAL000000001672	1	37	0.0	-10.48	315.08	1.49	-8.99
CCCC(NC(=O)C1=C2C=C([N+](=O)[O-])C=CC2=NN1)C1=NNN=N1	REAL000000001673	1	38	0.0	-15.44	332.69	3.00	-12.44
CCCC(NC(=O)C1=CC=C(NC(=O)OC)C=C1)C1=NNN=N1	REAL000000001674	1	41	0.0	-16.53	344.81	1.91	-14.62
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)N=C1)C1=NNN=N1	REAL000000001675	1	39	0.0	-11.51	323.61	4.99	-6.52
CCCC(NC(=O)CN1N=CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000001676	1	41	0.0	-20.35	349.17	3.39	-16.96
CCCC(NC(=O)C1=CC=C(CSC2=NC=CN2C)O1)C1=NNN=N1	REAL000000001677	1	44	0.0	-13.00	388.26	5.33	-7.67
CCCC(NC(=O)C1=C(C)C2=C(C)C=CN=C2S1)C1=NNN=N1	REAL000000001678	1	41	0.0	-10.03	333.35	3.93	-6.10
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C(C)N1)C1=NNN=N1	REAL000000001679	1	46	0.0	-11.89	383.95	3.43	-8.46
CCCC(NC(=O)C1=CC=C2NC3=C(CCCCC3)C2=C1)C1=NNN=N1	REAL000000001680	1	50	0.0	-13.75	386.57	6.59	-7.16
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OCC)C=C2)S1)C1=NNN=N1	REAL000000001681	1	49	0.0	-9.00	405.69	5.09	-3.91
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1)C1=NNN=N1	REAL000000001682	1	42	0.0	-15.95	364.46	4.47	-11.48
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1)C1=NNN=N1	REAL000000001693	1	48	0.0	-18.81	406.83	2.25	-16.56
CCCC(NC(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001694	1	39	0.0	-21.26	339.48	4.90	-16.36
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC2)=C1)C1=NNN=N1	REAL000000001695	1	48	0.0	-19.14	402.92	2.78	-16.36
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C(C)=NN2C)C1=NNN=N1	REAL000000001696	1	44	0.0	-14.09	360.42	4.07	-10.02
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1)C1=NNN=N1	REAL000000001697	1	51	0.0	-14.49	412.35	2.39	-12.10
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=C1)C1=NNN=N1	REAL000000001698	1	43	0.0	-9.12	354.50	4.99	-4.13
CCCC(NC(=O)C1=COC(Br)=C1)C1=NNN=N1	REAL000000001699	1	30	0.0	-12.37	282.81	2.35	-10.02
CCCC(NC(=O)CCC1=NC(C2=CC=C(OCC)C=C2)=NO1)C1=NNN=N1	REAL000000001700	1	51	0.0	-13.42	425.95	4.03	-9.39
CCCC(NC(=O)COC1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000001701	1	37	0.0	-13.83	316.68	3.94	-9.89
CCCC(NC(=O)C1=CC=C(OCC2=CC=CN=C2)C=C1)C1=NNN=N1	REAL000000001702	1	46	0.0	-15.00	383.73	5.17	-9.83
CCCC(NC(=O)C1=CC=C(OCC2=CC=CN=C2)C(OCC)=C1)C1=NNN=N1	REAL000000001703	1	53	0.0	-13.47	427.60	5.67	-7.80
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC=C1C)C1=NNN=N1	REAL000000001704	1	48	0.0	-10.34	373.47	1.17	-9.17
CCCC(NC(=O)CCOC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000001705	1	46	0.0	-11.15	373.71	5.40	-5.75
CCCC1=CC=C(N2CC(C(=O)NC(CCC)C3=NNN=N3)CC2=O)C=C1	REAL000000001706	1	53	0.0	-14.82	420.90	6.81	-8.01
CCCC(NC(=O)C1CCN(C2=CN=CC=N2)CC1)C1=NNN=N1	REAL000000001707	1	46	0.0	-13.97	364.53	2.35	-11.62
CCCCC1=CC=C(N2CC(C(=O)NC(CCC)C3=NNN=N3)CC2=O)C=C1	REAL000000001708	1	56	0.0	-14.80	442.40	7.60	-7.20
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C1C(=O)NC(=O)N2C)C1=NNN=N1	REAL000000001709	1	48	0.0	-15.06	395.04	4.53	-10.53
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C1C(=O)NC(=O)N2CC)C1=NNN=N1	REAL000000001710	1	51	0.0	-15.00	416.85	5.47	-9.53
CCCC(NC(=O)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1)C1=NNN=N1	REAL000000001711	1	51	0.0	-15.74	402.11	6.53	-9.21
CCCC(NC(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=NNN=N1	REAL000000001712	1	41	0.0	-18.94	350.64	4.50	-14.44
CCCC(NC(=O)CCC(=O)CCC(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001713	1	46	0.0	-13.13	399.88	5.55	-7.58
CCCC(NC(=O)C1CCC(C(F)(F)F)NC1=O)C1=NNN=N1	REAL000000001714	1	40	0.0	-10.00	328.72	1.05	-8.95
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C(C)=N1)C1=NNN=N1	REAL000000001715	1	44	0.0	-9.56	368.03	4.01	-5.54
CCCC(NC(=O)CC(NC(N)=O)C1=CC=CC(C)=C1)C1=NNN=N1	REAL000000001716	1	48	0.0	-19.93	395.60	1.92	-18.01
CCCC(NC(=O)C(C)OC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000001717	1	40	0.0	-15.87	343.94	5.39	-10.47
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=N2)C(C)=C1)C1=NNN=N1	REAL000000001718	1	46	0.0	-12.16	368.28	6.19	-5.97
CCCC(NC(=O)C1=C(C)N(C2=NC=CS2)C(C)=C1)C1=NNN=N1	REAL000000001719	1	43	0.0	-12.92	366.85	5.52	-7.41
CCCC(NC(=O)C1=C(C)N(C2=CC=CN=C2)C(C)=C1)C1=NNN=N1	REAL000000001720	1	46	0.0	-12.61	376.02	5.67	-6.95
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=N2)C(C)=C1)C1=NNN=N1	REAL000000001721	1	49	0.0	-15.49	397.56	6.44	-9.04
CCCC(NC(=O)CCOC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000001722	1	40	0.0	-8.27	331.44	3.72	-4.55
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2N2C(=O)CCC21C)C1=NNN=N1	REAL000000001723	1	52	0.0	-25.53	414.67	4.94	-20.59
CCCC(NC(=O)CCOC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001724	1	40	0.0	-10.85	338.64	4.04	-6.81
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=C1)C1=NNN=N1	REAL000000001725	1	43	0.0	-9.11	363.16	5.41	-3.70
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1OCCCC	REAL000000001726	1	59	0.0	-13.18	466.05	7.93	-5.25
CCCC(NC(=O)C1=CC=C(CN2CCCCC2=O)C=C1)C1=NNN=N1	REAL000000001727	1	50	0.0	-18.40	398.14	6.03	-12.37
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001728	1	49	0.0	-21.58	419.77	5.11	-16.47
CCCC(NC(=O)C1=CC=CC(NC(=O)C2CCCCC2)=C1)C1=NNN=N1	REAL000000001729	1	53	0.0	-16.57	408.29	5.62	-10.95
CCCC(NC(=O)C1CCN(C(=O)N(CC)CC)CC1)C1=NNN=N1	REAL000000001730	1	54	0.0	-14.41	398.25	4.35	-10.06
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)N=C1)C1=NNN=N1	REAL000000001731	1	41	0.0	-20.86	361.00	-2.25	-23.11
CCCC(NC(=O)C1CCN(C(=O)N(C)C)CC1)C1=NNN=N1	REAL000000001732	1	48	0.0	-19.19	364.65	2.93	-16.26
CCCC(NC(=O)C1=C(Cl)C2=CC(C)=CC=C2N1)C1=NNN=N1	REAL000000001733	1	40	0.0	-12.52	347.52	4.81	-7.71
CCCC(NC(=O)C1CCN(C(=O)NC2CC2)CC1)C1=NNN=N1	REAL000000001734	1	49	0.0	-18.52	384.59	3.37	-15.15
CCCC(NC(=O)C1=CSC(CC2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000001735	1	42	0.0	-11.59	385.05	5.64	-5.94
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCC(C)C)C1=NNN=N1	REAL000000001736	1	53	0.0	-14.81	433.85	6.75	-8.06
CCCC(NC(=O)C1=CC=C2NC(=O)CCCC2=C1)C1=NNN=N1	REAL000000001737	1	44	0.0	-14.27	353.11	3.79	-10.48
CCCC(NC(=O)CCOC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000001738	1	40	0.0	-10.31	348.95	4.49	-5.82
CCCC(NC(=O)C1=C(C)N=C(CC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000001739	1	45	0.0	-11.25	385.24	5.90	-5.34
CCCC(NC(=O)CC1=C(C)NC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000001740	1	43	0.0	-13.16	375.09	5.50	-7.65
CCCC(NC(=O)CCOC1=CC(C)=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000001741	1	45	0.0	-12.78	372.47	5.76	-7.02
CCCC(NC(=O)C(C)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000001742	1	43	0.0	-14.41	356.61	5.41	-8.99
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001743	1	40	0.0	-12.45	339.11	4.82	-7.63
CCCC(NC(=O)C1=CC=C(N2C=C(Br)C=N2)C=C1)C1=NNN=N1	REAL000000001744	1	40	0.0	-10.63	350.52	5.14	-5.49
CCCC(NC(=O)C1CC(=O)N(C2CCCCC2)C1)C1=NNN=N1	REAL000000001746	1	50	0.0	-13.36	383.79	4.70	-8.66
CCCC(NC(=O)CC1=CC=C(N2C=CC=C2)C=C1)C1=NNN=N1	REAL000000001747	1	44	0.0	-13.89	363.24	7.12	-6.77
CCCC(NC(=O)COC1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000001748	1	40	0.0	-18.34	348.75	5.28	-13.05
CCCC(NC(=O)C1=CC2=C(C(F)(F)F)C=C(C)N=C2O1)C1=NNN=N1	REAL000000001749	1	41	0.0	-11.12	364.66	2.64	-8.48
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1)C1=NNN=N1	REAL000000001750	1	42	0.0	-19.13	362.55	-0.63	-19.76
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000001751	1	36	0.0	-8.96	330.23	4.66	-4.30
CCCC(NC(=O)C1=C2C=CC(F)=CC2=NC(C)=C1)C1=NNN=N1	REAL000000001753	1	41	0.0	-12.22	341.89	4.70	-7.52
CCCC(NC(=O)C1=CC(S(=O)(=O)NC(C)C)=CC=C1F)C1=NNN=N1	REAL000000001754	1	47	0.0	-16.84	399.09	1.41	-15.43
CCCC(NC(=O)C1=CC2=CC=CC(OC)=C2O1)C1=NNN=N1	REAL000000001755	1	40	0.0	-10.39	331.29	3.02	-7.37
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=NNN=N1	REAL000000001756	1	40	0.0	-12.29	345.52	4.89	-7.41
CCCC(NC(=O)CCOC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000001757	1	40	0.0	-11.21	364.13	4.96	-6.25
CCCC(NC(=O)CCOC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000001758	1	40	0.0	-11.01	348.26	4.54	-6.47
CCCC(NC(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C1=NNN=N1	REAL000000001759	1	48	0.0	-12.75	393.96	6.63	-6.13
CCCC(NC(=O)CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=NNN=N1	REAL000000001761	1	47	0.0	-16.88	412.87	5.08	-11.80
CCCC(NC(=O)CCOC1=C(C)C=CC=C1C)C1=NNN=N1	REAL000000001762	1	46	0.0	-11.41	373.97	5.51	-5.90
CCCC(NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C1=NNN=N1	REAL000000001763	1	40	0.0	-14.23	338.21	2.33	-11.90
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(OC)=NN2C)C1=NNN=N1	REAL000000001764	1	54	0.0	-15.03	432.00	3.27	-11.76
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1)C1=NNN=N1	REAL000000001765	1	47	0.0	-21.82	396.20	5.74	-16.08
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)C)=C1)C1=NNN=N1	REAL000000001766	1	47	0.0	-18.20	401.40	1.44	-16.77
CCCC(NC(=O)C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1)C1=NNN=N1	REAL000000001767	1	50	0.0	-18.71	410.92	1.74	-16.98
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2C)N=C1)C1=NNN=N1	REAL000000001768	1	46	0.0	-12.49	372.99	6.15	-6.33
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)N=C1)C1=NNN=N1	REAL000000001769	1	45	0.0	-14.23	373.11	5.62	-8.61
CCCC(NC(=O)C1=C(Cl)C2=CC(Cl)=CC=C2N1)C1=NNN=N1	REAL000000001770	1	37	0.0	-12.54	342.86	4.65	-7.90
CCCC(NC(=O)CC1=CSC(C2=CC=C(C)O2)=N1)C1=NNN=N1	REAL000000001771	1	42	0.0	-20.22	370.47	4.16	-16.06
CCCC(NC(=O)CN(C)C(=O)C1=CC=CS1)C1=NNN=N1	REAL000000001772	1	40	0.0	-14.43	335.92	2.69	-11.74
CCCC(NC(=O)C1CC(=O)N(C2=C(C)C=C(C)C=C2C)C1)C1=NNN=N1	REAL000000001783	1	53	0.0	-15.66	415.69	7.42	-8.24
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=N1)C1=NNN=N1	REAL000000001784	1	42	0.0	-10.52	358.00	3.92	-6.61
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2F)S1)C1=NNN=N1	REAL000000001785	1	40	0.0	-11.32	357.22	6.51	-4.81
CCCC(NC(=O)C1=CSC(NC(C)=O)=N1)C1=NNN=N1	REAL000000001786	1	36	0.0	-13.48	321.31	0.73	-12.75
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)O1)C1=NNN=N1	REAL000000001787	1	46	0.0	-13.82	392.75	-0.72	-14.54
CCCC(NC(=O)C1CCCN(C(=O)C2CC2)C1)C1=NNN=N1	REAL000000001788	1	47	0.0	-14.31	361.64	3.90	-10.41
CCCC(NC(=O)COC1=CC=CC(NC(=O)C2CC2)=C1)C1=NNN=N1	REAL000000001789	1	48	0.0	-18.80	398.46	4.72	-14.08
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2Cl)=C1)C1=NNN=N1	REAL000000001790	1	39	0.0	-10.51	352.93	5.18	-5.33
CCCC(NC(=O)C1CCN(C(=O)CCC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000001791	1	56	0.0	-15.06	440.56	7.31	-7.75
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001792	1	50	0.0	-22.71	408.26	6.58	-16.13
CCCC(NC(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C1=NNN=N1	REAL000000001793	1	46	0.0	-18.02	373.62	4.05	-13.97
CCCC(NC(=O)COC1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=NNN=N1	REAL000000001794	1	48	0.0	-20.28	400.09	3.83	-16.45
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(C)C)C=C1)C1=NNN=N1	REAL000000001795	1	50	0.0	-16.05	416.37	2.16	-13.89
CCCC(NC(=O)C1=CC2=C(F)C=C(Br)C=C2N1)C1=NNN=N1	REAL000000001796	1	37	0.0	-8.17	332.07	3.93	-4.24
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2N1)C1=NNN=N1	REAL000000001797	1	37	0.0	-10.32	328.19	4.09	-6.23
CCCC(NC(=O)C1=CC=C2NC(=O)NC2=C1)C1=NNN=N1	REAL000000001798	1	37	0.0	-16.38	313.44	0.48	-15.90
CCCC(NC(=O)C1=CC(C2=CC=C(C)C=C2)=NO1)C1=NNN=N1	REAL000000001799	1	42	0.0	-9.96	357.80	5.32	-4.64
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000001800	1	44	0.0	-21.46	377.65	2.03	-19.43
CCCC(NC(=O)C(C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000001801	1	50	0.0	-15.11	402.06	8.29	-6.82
CCCC(NC(=O)CCC1=NC(C(C)C)=NO1)C1=NNN=N1	REAL000000001802	1	43	0.0	-9.42	350.41	1.47	-7.94
CCCC(NC(=O)CC1=CSC(CC2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000001803	1	44	0.0	-19.11	383.64	4.17	-14.94
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=NNN=N1	REAL000000001804	1	40	0.0	-15.56	343.61	4.98	-10.58
CCCC(NC(=O)CC1=C(C)N=C(C)NC1=O)C1=NNN=N1	REAL000000001805	1	41	0.0	-20.09	340.31	1.53	-18.56
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(C)O2)S1)C1=NNN=N1	REAL000000001806	1	42	0.0	-10.80	366.73	4.12	-6.68
CCCC(NC(=O)C1CC(=O)N(CC2=CC=CC=N2)C1)C1=NNN=N1	REAL000000001807	1	46	0.0	-14.71	381.58	3.40	-11.31
CCCC(NC(=O)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)C1=NNN=N1	REAL000000001808	1	45	0.0	-16.22	376.69	5.79	-10.43
CCCC(NC(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=NNN=N1	REAL000000001809	1	49	0.0	-16.64	398.55	3.13	-13.51
CCCC(NC(=O)CC1=CC=C(C(C)=O)C=C1)C1=NNN=N1	REAL000000001810	1	41	0.0	-13.56	336.45	4.42	-9.14
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2N1C)C1=NNN=N1	REAL000000001811	1	40	0.0	-10.65	356.07	5.66	-5.00
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CN=C1)C1=NNN=N1	REAL000000001812	1	43	0.0	-20.42	372.05	0.27	-20.15
CCCC(NC(=O)C1=CC=C(F)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000001813	1	38	0.0	-19.91	337.35	-1.32	-21.22
CCCC(NC(=O)CCCC1=NC(C2=CC=C(OC)C=C2)=NO1)C1=NNN=N1	REAL000000001814	1	51	0.0	-18.81	425.60	3.89	-14.92
CCCC(NC(=O)C1CCCN(C(=O)N2CCCC2)C1)C1=NNN=N1	REAL000000001815	1	52	0.0	-13.01	385.88	3.82	-9.19
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2N1C)C1=NNN=N1	REAL000000001816	1	40	0.0	-10.76	351.77	5.57	-5.19
CCCC(NC(=O)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)C1=NNN=N1	REAL000000001817	1	42	0.0	-19.09	367.37	5.50	-13.59
CCCC(NC(=O)C1=CSC(C2=CC=C(C)O2)=N1)C1=NNN=N1	REAL000000001818	1	39	0.0	-11.01	342.27	3.00	-8.01
CCCC(NC(=O)CC1=CSC(CC2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001819	1	45	0.0	-11.98	381.99	5.64	-6.33
CCCC(NC(=O)C1=C(C)C2=C(CCCC2=O)O1)C1=NNN=N1	REAL000000001820	1	42	0.0	-15.85	344.54	4.17	-11.68
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C=C2F)N=C1)C1=NNN=N1	REAL000000001821	1	43	0.0	-13.29	368.41	5.47	-7.82
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CS2)=C1)C1=NNN=N1	REAL000000001822	1	44	0.0	-10.92	372.01	5.69	-5.23
CCCC(NC(=O)C1=CSC(CC2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001824	1	42	0.0	-9.09	361.12	4.80	-4.29
CCCC(NC(=O)C1=CC=CC(NC(=O)NC(C)C)=C1)C1=NNN=N1	REAL000000001825	1	48	0.0	-22.23	390.80	2.88	-19.35
CCCC(NC(=O)C1CC(=O)N(C(CC)CC)C1)C1=NNN=N1	REAL000000001826	1	49	0.0	-13.81	383.18	4.98	-8.82
CCCC(NC(=O)C1=CSC(C2=CC=CC(Cl)=C2)=N1)C1=NNN=N1	REAL000000001827	1	39	0.0	-9.26	354.53	4.64	-4.62
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NC(CCC)C3=NNN=N3)=C12	REAL000000001828	1	50	0.0	-14.49	400.38	4.30	-10.19
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001829	1	50	0.0	-14.60	395.75	4.05	-10.55
CCCC(NC(=O)C1=C2C(CC(C)(C)C)=NOC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001830	1	56	0.0	-13.57	431.96	5.67	-7.89
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC=C2F)C1)C1=NNN=N1	REAL000000001831	1	52	0.0	-12.95	413.85	5.44	-7.51
CCCC(NC(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000001832	1	54	0.0	-16.23	433.11	6.56	-9.67
CCCC(NC(=O)CCNC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000001833	1	47	0.0	-17.37	395.74	3.05	-14.32
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001834	1	46	0.0	-12.50	379.54	5.73	-6.77
CCCC(NC(=O)C1=CC=C(C(N)=S)C=C1)C1=NNN=N1	REAL000000001835	1	37	0.0	-17.16	318.22	2.56	-14.59
CCCC(NC(=O)C=CC1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000001836	1	37	0.0	-12.28	325.97	5.02	-7.27
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1)C1=NNN=N1	REAL000000001837	1	33	0.0	-9.15	305.44	4.34	-4.81
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001838	1	40	0.0	-10.35	348.96	4.49	-5.86
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000001840	1	37	0.0	-12.29	329.86	4.21	-8.08
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=NNN=N1	REAL000000001841	1	43	0.0	-15.06	356.35	7.17	-7.89
CCCC(NC(=O)COCCOC1=CC=CC=C1)C1=NNN=N1	REAL000000001842	1	44	0.0	-17.00	366.75	4.49	-12.51
CCCC(NC(=O)COCC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000001843	1	44	0.0	-16.21	366.34	4.02	-12.19
CCCC(NC(=O)C1=CN(C2=CC=C(C)C=C2)N=N1)C1=NNN=N1	REAL000000001844	1	42	0.0	-10.06	349.24	3.69	-6.37
CCCC(NC(=O)CS(=O)(=O)CCOC)C1=NNN=N1	REAL000000001845	1	39	0.0	-24.24	339.01	-1.68	-25.92
CCCC(NC(=O)C1CCCN(C2=NC3=CC=CC=C3S2)C1)C1=NNN=N1	REAL000000001846	1	50	0.0	-10.10	401.12	5.21	-4.89
CCCC(NC(=O)CC1=CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000001847	1	42	0.0	-15.11	345.54	3.05	-12.06
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000001849	1	39	0.0	-11.69	344.53	4.56	-7.13
CCCC(NC(=O)CCCN1C(=O)CCC1=O)C1=NNN=N1	REAL000000001850	1	42	0.0	-18.59	350.59	2.61	-15.97
CCCC(NC(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000001851	1	40	0.0	-11.82	354.81	4.54	-7.28
CCCC(NC(=O)C1=C(C)OC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000001852	1	39	0.0	-10.24	346.92	1.87	-8.37
CCCC(NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=NNN=N1	REAL000000001863	1	46	0.0	-11.57	358.87	4.11	-7.46
CCCC(NC(=O)CCC(=O)C1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001864	1	47	0.0	-13.12	385.33	7.21	-5.91
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000001865	1	42	0.0	-21.08	363.72	6.80	-14.28
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C(C)C)=C2)C(C)=C1)C1=NNN=N1	REAL000000001866	1	56	0.0	-11.08	444.55	9.53	-1.55
CCCC(NC(=O)COC1=CC=C(Cl)C(CC)=C1)C1=NNN=N1	REAL000000001867	1	43	0.0	-13.73	366.75	6.03	-7.69
CCCC(NC(=O)C(C)OC1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000001868	1	47	0.0	-14.52	373.44	6.77	-7.75
CCCC(NC(=O)CCCC1=NC(C2=CC=C(F)C=C2)=NO1)C1=NNN=N1	REAL000000001869	1	47	0.0	-17.11	402.56	4.64	-12.47
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001870	1	50	0.0	-10.53	406.10	7.52	-3.01
CCCC(NC(=O)C(C)OC1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000001871	1	40	0.0	-17.05	359.12	5.86	-11.19
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1Br)C1=NNN=N1	REAL000000001872	1	40	0.0	-15.11	354.74	5.56	-9.55
CCCC(NC(=O)CCCC1=NC(C2=CC=CS2)=NO1)C1=NNN=N1	REAL000000001873	1	44	0.0	-18.52	387.06	3.58	-14.94
CCCC(NC(=O)C1=CC=CC(C)=C1I)C1=NNN=N1	REAL000000001874	1	36	0.0	-7.75	309.84	4.95	-2.80
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=NNN=N1	REAL000000001875	1	51	0.0	-17.09	429.05	2.52	-14.58
CCCC(NC(=O)C=CC1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000001876	1	49	0.0	-17.20	421.22	2.70	-14.51
CCCNS(=O)(=O)C1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000001877	1	51	0.0	-14.01	424.15	2.31	-11.70
CCCC(NC(=O)C1=CC2=C(OC)C=C(OC)C(OC)=C2N1)C1=NNN=N1	REAL000000001878	1	49	0.0	-14.31	403.64	2.22	-12.08
CCCC(NC(=O)C1=CC=C(F)C=C1I)C1=NNN=N1	REAL000000001879	1	33	0.0	-6.94	298.68	4.47	-2.47
CCCC(NC(=O)C(C)OCC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000001880	1	47	0.0	-16.37	386.13	4.72	-11.65
CCCC(NC(=O)CCCC1=NN=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001881	1	47	0.0	-19.41	396.79	1.88	-17.53
CCCC(NC(=O)C1=C(C)N=C(C(C)C)S1)C1=NNN=N1	REAL000000001882	1	41	0.0	-9.87	346.11	3.51	-6.36
CCCC1=NC(C)=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000001883	1	41	0.0	-9.94	346.84	3.69	-6.25
CCCC(NC(=O)CCCC1=NC=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000001884	1	48	0.0	-17.30	400.44	4.39	-12.90
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2C#N)C=C1)C1=NNN=N1	REAL000000001885	1	48	0.0	-13.61	406.41	7.37	-6.24
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC=C2F)=C1)C1=NNN=N1	REAL000000001886	1	50	0.0	-27.50	412.82	6.66	-20.83
CCCC(NC(=O)C1=CC=C(N2CCOC2=O)C=C1)C1=NNN=N1	REAL000000001887	1	42	0.0	-22.27	346.27	3.75	-18.52
CCCC(NC(=O)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)C1=NNN=N1	REAL000000001888	1	42	0.0	-15.10	366.90	5.47	-9.63
CCCC(NC(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=NNN=N1	REAL000000001889	1	43	0.0	-21.12	342.99	2.07	-19.05
CCCC(NC(=O)C1=CC=C(N2CCC(C)=N2)C=C1)C1=NNN=N1	REAL000000001890	1	45	0.0	-13.74	367.77	5.11	-8.63
CCCC(NC(=O)C1=CC=C(NC(=O)C2=CNC(=O)C=C2)C=C1)C1=NNN=N1	REAL000000001891	1	47	0.0	-22.93	394.29	2.61	-20.32
CCCC(NC(=O)C1=CC=C(OC(C)C)N=C1)C1=NNN=N1	REAL000000001892	1	42	0.0	-10.55	346.83	2.24	-8.31
CCCC(NC(=O)CC1=NN2C=CC=NC2=N1)C1=NNN=N1	REAL000000001893	1	37	0.0	-21.72	312.38	3.92	-17.80
CCCC(NC(=O)CCS(=O)(=O)CC(C)C)C1=NNN=N1	REAL000000001895	1	44	0.0	-13.62	357.02	1.05	-12.57
CCCC(NC(=O)C1=CC(Cl)=C(Br)N1)C1=NNN=N1	REAL000000001896	1	31	0.0	-9.63	303.17	2.43	-7.19
C=CCNS(=O)(=O)C1=CC(C(=O)NC(CCC)C2=NNN=N2)=CC=C1F	REAL000000001897	1	45	0.0	-14.61	379.17	0.66	-13.95
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000001898	1	39	0.0	-8.24	329.21	4.31	-3.93
CCCC(NC(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000001899	1	40	0.0	-12.45	348.35	4.11	-8.34
CCCC(NC(=O)C1=CC=C(N(C)C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001900	1	47	0.0	-11.49	388.18	6.99	-4.50
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=NNN=N1	REAL000000001901	1	49	0.0	-17.08	406.17	6.54	-10.54
CCCC(NC(=O)CSCC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000001902	1	41	0.0	-13.21	360.46	5.76	-7.45
CCCC(NC(=O)C1=C2C(C)=NN(C(C)(C)C)C2=NC(C(C)C)=C1)C1=NNN=N1	REAL000000001904	1	59	0.0	-10.00	445.68	6.95	-3.05
CCCC(NC(=O)C1=CC=C(OC)C(OC(F)F)=C1)C1=NNN=N1	REAL000000001905	1	41	0.0	-17.44	346.11	3.17	-14.27
CCCC(NC(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=NNN=N1	REAL000000001906	1	42	0.0	-22.06	339.27	3.40	-18.66
CCCC(NC(=O)C1=C(C)N(C(C)(C)C)N=C1)C1=NNN=N1	REAL000000001907	1	45	0.0	-11.61	351.24	3.68	-7.93
CCCC(NC(=O)C1=CC=C(N2C=CC(C)=N2)C=C1)C1=NNN=N1	REAL000000001908	1	43	0.0	-16.29	357.94	5.45	-10.85
CCCC(NC(=O)CC1=CC=C(N2N=C(C)C=C2C)C=C1)C1=NNN=N1	REAL000000001909	1	49	0.0	-17.78	401.48	6.53	-11.24
CCCC(NC(=O)CS(=O)(=O)C1CCCC1)C1=NNN=N1	REAL000000001910	1	42	0.0	-20.99	340.13	0.86	-20.13
CCCC(NC(=O)C1=CC2=CC=CC(OCC)=C2OC1)C1=NNN=N1	REAL000000001911	1	46	0.0	-13.58	374.74	4.96	-8.62
CCCC(NC(=O)CN1C(=O)SC(C)=C1C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000001912	1	46	0.0	-16.96	394.13	5.75	-11.22
CCCC(NC(=O)C1=CC(C2=CC=CC=C2OC)=NN1)C1=NNN=N1	REAL000000001913	1	44	0.0	-11.21	359.26	2.96	-8.25
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2OC)=NN1)C1=NNN=N1	REAL000000001914	1	48	0.0	-14.61	395.88	2.60	-12.01
CCCC(NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=NNN=N1	REAL000000001915	1	37	0.0	-11.92	331.42	2.82	-9.10
CCCC(NC(=O)CCCOC1=CC=C(C#N)C=C1OC)C1=NNN=N1	REAL000000001916	1	48	0.0	-18.60	403.76	5.07	-13.53
CCCC(NC(=O)C1=C(C)C(C(=O)OCCOC)=C(C)N1)C1=NNN=N1	REAL000000001917	1	50	0.0	-16.35	416.07	3.53	-12.82
CCCC(NC(=O)C(C)NC(=O)C1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000001918	1	43	0.0	-11.95	376.77	3.67	-8.28
CCCC(NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=NNN=N1	REAL000000001919	1	38	0.0	-11.56	337.07	4.71	-6.84
CCCC(NC(=O)C(CC)OC1=CC=CC=C1C)C1=NNN=N1	REAL000000001920	1	46	0.0	-13.52	363.07	6.16	-7.36
CCCC(NC(=O)C1=CC(C2=CC=C3OCOC3=C2)=NN1)C1=NNN=N1	REAL000000001921	1	43	0.0	-11.72	358.10	2.02	-9.70
CCCC(NC(=O)C1=CC(C2=CC=CC=C2OCC)=NN1)C1=NNN=N1	REAL000000001922	1	47	0.0	-11.03	381.14	3.89	-7.14
CCCC(NC(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=NNN=N1	REAL000000001923	1	43	0.0	-17.28	360.71	5.53	-11.75
CCCC(NC(=O)CCCOC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000001924	1	49	0.0	-15.42	398.76	7.06	-8.36
CCCC(NC(=O)C1=C2C(C)=NN(C(C)(C)C)C2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000001925	1	57	0.0	-13.53	442.46	7.48	-6.04
CCCC(NC(=O)CN1C=CC2=CC(OC)=CC=C21)C1=NNN=N1	REAL000000001926	1	44	0.0	-17.31	365.07	5.10	-12.21
CCCC(NC(=O)C1=CC2=C(Cl)C(Cl)=CC=C2N1)C1=NNN=N1	REAL000000001927	1	37	0.0	-13.09	343.25	4.55	-8.54
CCCC(NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001928	1	49	0.0	-11.44	405.71	5.27	-6.16
CCCC(NC(=O)CC1=CSC(N2C(C)=CC=C2C)=N1)C1=NNN=N1	REAL000000001929	1	46	0.0	-16.51	384.33	6.71	-9.80
CCCC(NC(=O)CCSC1=CC=CC=C1Br)C1=NNN=N1	REAL000000001930	1	40	0.0	-10.92	361.75	6.16	-4.76
CCCC(NC(=O)CCCOC1=CC=C(C(C)=O)C=C1OC)C1=NNN=N1	REAL000000001931	1	52	0.0	-22.35	425.60	5.17	-17.18
CCCC(NC(=O)C1=CC=C(C)C(NC(C)=O)=C1)C1=NNN=N1	REAL000000001932	1	43	0.0	-21.63	352.58	3.47	-18.16
CCCC(NC(=O)C1=NN(C(C)(C)C)C(C)=C1)C1=NNN=N1	REAL000000001933	1	45	0.0	-12.41	355.05	3.70	-8.71
CCCC(NC(=O)CC1=CSC(NC(=O)C2=C(C)OC=C2)=N1)C1=NNN=N1	REAL000000001935	1	46	0.0	-14.83	392.31	3.04	-11.79
CCCC(NC(=O)CS(=O)(=O)CC(C)C)C1=NNN=N1	REAL000000001936	1	41	0.0	-24.49	342.09	0.81	-23.68
CCCC(NC(=O)CCS(=O)(=O)C1CCCC1)C1=NNN=N1	REAL000000001937	1	45	0.0	-13.65	362.19	1.43	-12.22
CCCC(NC(=O)CS(=O)(=O)CC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000001938	1	43	0.0	-30.17	386.10	2.65	-27.52
CCCC(NC(=O)CSC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000001939	1	46	0.0	-12.09	381.06	6.73	-5.36
CCCC(NC(=O)C1=C(Br)C=CS1)C1=NNN=N1	REAL000000001940	1	30	0.0	-10.78	287.53	3.27	-7.51
CCCC(NC(=O)C1=CC2=CC(Cl)=C(Cl)C=C2N1)C1=NNN=N1	REAL000000001941	1	37	0.0	-10.60	343.30	4.56	-6.04
CCCC(NC(=O)C1=NC(N2CCCC2)=NC=C1Cl)C1=NNN=N1	REAL000000001942	1	43	0.0	-9.26	362.07	4.12	-5.14
CCCC(NC(=O)CC1=C(C)N(C2=CC=C(Cl)C=C2)N=C1C)C1=NNN=N1	REAL000000001953	1	49	0.0	-16.79	416.48	6.98	-9.81
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001954	1	42	0.0	-20.03	356.03	4.17	-15.87
CCCC(NC(=O)CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)C1=NNN=N1	REAL000000001955	1	45	0.0	-12.39	376.92	2.68	-9.70
CCCC(NC(=O)C1=CC=C(N2C=CNC2=S)C=C1)C1=NNN=N1	REAL000000001956	1	41	0.0	-26.81	360.21	6.40	-20.41
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2OC)O1)C1=NNN=N1	REAL000000001957	1	48	0.0	-12.35	395.81	4.68	-7.67
CCCCCCCCCCCCCCCCC(=O)NC(CCC)C1=NNN=N1	REAL000000001958	1	71	0.0	-9.67	543.32	12.31	2.65
CCCCCCCCCCC(=O)NC(CCC)C1=NNN=N1	REAL000000001959	1	53	0.0	-9.76	414.33	7.61	-2.15
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000001960	1	39	0.0	-17.45	332.50	4.31	-13.14
CCCC(NC(=O)C(C)NC(=O)C1CCCC1)C1=NNN=N1	REAL000000001961	1	46	0.0	-10.52	363.91	2.60	-7.92
CCCC(NC(=O)CCCCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000001962	1	45	0.0	-10.92	388.05	7.32	-3.60
CCCC(NC(=O)C1=CC(C2=C(C)N(C)N=C2C)=NN1)C1=NNN=N1	REAL000000001963	1	46	0.0	-15.50	384.25	2.54	-12.96
CCCC(NC(=O)C1=CC(C2=CC=C(C)O2)=NN1)C1=NNN=N1	REAL000000001964	1	40	0.0	-13.60	344.20	2.65	-10.95
CCCC(NC(=O)CCCOC1=CC=CC=C1Br)C1=NNN=N1	REAL000000001965	1	43	0.0	-15.38	374.14	5.42	-9.97
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)CC1)C1=NNN=N1	REAL000000001966	1	47	0.0	-9.38	383.00	4.42	-4.96
CCCC(NC(=O)C1=CC=C(CNC(=O)C2=CC=CS2)C=C1)C1=NNN=N1	REAL000000001967	1	47	0.0	-12.21	400.57	4.43	-7.78
CCCC(NC(=O)C1=CC2=C(C)NN=C2N=C1)C1=NNN=N1	REAL000000001968	1	38	0.0	-17.23	320.78	2.22	-15.01
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCC2)=C(C)O1)C1=NNN=N1	REAL000000001969	1	48	0.0	-16.47	401.42	1.39	-15.07
CCCC(NC(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=NNN=N1	REAL000000001970	1	44	0.0	-8.70	355.94	2.97	-5.74
CCCC(NC(=O)C1=C(Cl)N=C2C=CC=CN21)C1=NNN=N1	REAL000000001972	1	36	0.0	-16.94	325.16	4.32	-12.61
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1Cl)C1=NNN=N1	REAL000000001973	1	44	0.0	-9.53	371.19	2.64	-6.89
CCCC(NC(=O)C1=NC(NCC2=CC=CO2)=NC=C1Cl)C1=NNN=N1	REAL000000001974	1	43	0.0	-8.63	374.78	4.35	-4.28
CCCC(NC(=O)CCCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000001975	1	42	0.0	-12.36	361.99	6.43	-5.93
CCCC(NC(=O)CCOC1=CC=C(F)C=C1Cl)C1=NNN=N1	REAL000000001976	1	40	0.0	-7.90	347.47	4.27	-3.63
CCCC(NC(=O)CCOC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000001977	1	40	0.0	-10.44	364.99	5.05	-5.39
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)C)=N1)C1=NNN=N1	REAL000000001978	1	45	0.0	-17.22	382.02	2.95	-14.27
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000001979	1	49	0.0	-20.91	419.79	5.11	-15.81
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NNN=N1	REAL000000001980	1	46	0.0	-16.59	383.81	5.15	-11.44
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000001981	1	43	0.0	-11.88	364.38	4.00	-7.88
CCCC(NC(=O)C1=C(C)C=C(Br)O1)C1=NNN=N1	REAL000000001982	1	33	0.0	-5.87	294.36	2.74	-3.14
CCCC(NC(=O)CCCN1C=NC2=CC=CC=C21)C1=NNN=N1	REAL000000001983	1	45	0.0	-19.86	372.59	6.70	-13.16
CCCC(NC(=O)CSCC1=COC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000001984	1	46	0.0	-18.67	403.45	4.11	-14.56
CCCCS(=O)(=O)N1CCC(C(=O)NC(CCC)C2=NNN=N2)CC1	REAL000000001985	1	53	0.0	-13.40	415.66	2.50	-10.90
CCCC(NC(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=NNN=N1	REAL000000001986	1	49	0.0	-12.09	386.01	5.14	-6.94
CCCC(NC(=O)C1=C(Cl)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000001987	1	37	0.0	-12.52	326.15	4.14	-8.38
CCCC(NC(=O)C1=C(Cl)C2=CC(Br)=CC=C2N1)C1=NNN=N1	REAL000000001988	1	37	0.0	-12.38	347.42	4.75	-7.63
CCCC(NC(=O)C1=C(Cl)C2=CC(F)=CC=C2N1)C1=NNN=N1	REAL000000001989	1	37	0.0	-13.40	332.32	4.17	-9.23
CCCC(NC(=O)CN1CCCS1(=O)=O)C1=NNN=N1	REAL000000001990	1	38	0.0	-21.88	324.98	-0.84	-22.72
CCCC(NC(=O)C(C)SCC1=CC=CC=C1)C1=NNN=N1	REAL000000001991	1	43	0.0	-13.19	365.23	6.27	-6.92
CCCOC1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000001992	1	43	0.0	-13.16	350.56	4.71	-8.45
CCCC(NC(=O)CC1=CSC2=CC=CC=C12)C1=NNN=N1	REAL000000001993	1	39	0.0	-13.12	338.72	5.67	-7.45
CCCC(NC(=O)COC1=CC=C(Cl)C=C1C1CCCCC1)C1=NNN=N1	REAL000000001994	1	53	0.0	-13.32	428.24	8.62	-4.70
CCCC(NC(=O)C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)C1=NNN=N1	REAL000000001995	1	47	0.0	-11.56	396.54	4.82	-6.74
CCCC(NC(=O)C1CCCC(C(F)(F)F)C1)C1=NNN=N1	REAL000000001996	1	42	0.0	-12.17	340.89	4.83	-7.34
CCCC(NC(=O)C1CC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000001997	1	41	0.0	-17.52	345.81	4.97	-12.56
CCCC(NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2)C1=NNN=N1	REAL000000001998	1	47	0.0	-12.24	398.92	6.77	-5.47
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=NNN=N1	REAL000000001999	1	40	0.0	-12.08	355.43	5.31	-6.77
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F)C1=NNN=N1	REAL000000002000	1	50	0.0	-8.56	396.92	8.55	-0.01
CCCC(NC(=O)C1=CC=C(OCC(=O)NC(C)C)C(OC)=C1)C1=NNN=N1	REAL000000002001	1	54	0.0	-24.03	438.98	3.96	-20.07
CCCC(NC(=O)C(C)OC1=CC(C(C)C)=CC=C1C)C1=NNN=N1	REAL000000002002	1	52	0.0	-9.78	401.78	7.02	-2.76
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)(C)C)=C1)C1=NNN=N1	REAL000000002003	1	52	0.0	-10.36	396.90	6.77	-3.59
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000002004	1	43	0.0	-15.40	369.73	6.17	-9.24
CCCC(NC(=O)C(C)OC1=CC=C(C(C)C)C(C)=C1)C1=NNN=N1	REAL000000002005	1	52	0.0	-13.77	406.35	7.29	-6.48
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C=C1)C1=NNN=N1	REAL000000002006	1	47	0.0	-8.88	374.23	5.40	-3.48
CCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002007	1	47	0.0	-11.66	385.03	5.91	-5.75
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)N=C1)C1=NNN=N1	REAL000000002008	1	40	0.0	-12.01	359.99	5.42	-6.59
CCCC(NC(=O)CNC(=O)CC(F)(F)F)C1=NNN=N1	REAL000000002009	1	36	0.0	-12.20	311.56	-0.07	-12.27
CCCC(NC(=O)CN1N=C(C)C(Cl)=C1C)C1=NNN=N1	REAL000000002010	1	39	0.0	-16.67	341.26	3.29	-13.38
CCCC(NC(=O)C1=CN(CCOC)C(=O)C=C1)C1=NNN=N1	REAL000000002011	1	43	0.0	-14.14	356.94	2.49	-11.65
CCCC(NC(=O)CCC1=CC=C(Cl)S1)C1=NNN=N1	REAL000000002012	1	36	0.0	-9.54	331.02	4.86	-4.69
CCCC(NC(=O)C1=CC=C(C)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002013	1	42	0.0	-18.12	342.66	1.49	-16.62
CCCC(NC(=O)CNC(=O)CC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002014	1	43	0.0	-14.20	367.73	2.89	-11.31
CCCC(NC(=O)CCC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000002015	1	48	0.0	-9.84	383.98	7.06	-2.78
CCCC(NC(=O)COC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000002016	1	40	0.0	-11.05	342.80	4.80	-6.25
CCCC(NC(=O)CCN1CCCS1(=O)=O)C1=NNN=N1	REAL000000002017	1	41	0.0	-21.17	346.01	-0.32	-21.49
CCCC(NC(=O)CC1=CSC(C2=NC=CC=N2)=N1)C1=NNN=N1	REAL000000002018	1	40	0.0	-18.74	350.56	2.30	-16.43
CCCC(NC(=O)C1=C(C)N=C(C2=NC=CC=N2)S1)C1=NNN=N1	REAL000000002019	1	40	0.0	-13.17	346.28	2.21	-10.96
CCCC(NC(=O)C1=CC=C(OC2CCCC2)C(OC)=C1)C1=NNN=N1	REAL000000002020	1	51	0.0	-10.03	394.19	5.46	-4.57
CCCC(NC(=O)C(C)SC1=NN=CN1C)C1=NNN=N1	REAL000000002021	1	39	0.0	-12.64	329.59	4.40	-8.25
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000002022	1	40	0.0	-12.29	360.61	5.79	-6.50
CCCC(NC(=O)COCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002023	1	44	0.0	-15.98	366.34	4.02	-11.96
CCCC(NC(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=NNN=N1	REAL000000002024	1	39	0.0	-13.98	349.66	2.25	-11.73
CCCC(NC(=O)CN1C=C(Br)C=N1)C1=NNN=N1	REAL000000002025	1	33	0.0	-15.92	304.27	2.37	-13.55
CCCC(NC(=O)C(C)NC(=O)C1=COC=C1)C1=NNN=N1	REAL000000002026	1	40	0.0	-12.02	332.47	0.65	-11.38
CCCC(NC(=O)CCCC(=O)C1=C(C)C=C(C)C=C1C)C1=NNN=N1	REAL000000002027	1	53	0.0	-17.73	428.37	7.68	-10.05
CCCC(NC(=O)CCSC1=C2C(C)=C(C)SC2=NC=N1)C1=NNN=N1	REAL000000002028	1	47	0.0	-16.19	404.92	6.15	-10.04
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)C(=O)NC2=C1)C1=NNN=N1	REAL000000002029	1	45	0.0	-14.25	373.65	3.19	-11.06
CCCC(NC(=O)C(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002030	1	42	0.0	-20.10	365.25	2.13	-17.98
CCCC(NC(=O)C1=C2NC(=O)C3=CC=CC=C3N2N=C1)C1=NNN=N1	REAL000000002031	1	42	0.0	-16.63	355.95	3.50	-13.13
CCCC(NC(=O)CCC1=C(C)N2N=CC=C2N=C1C)C1=NNN=N1	REAL000000002032	1	47	0.0	-15.98	380.12	4.96	-11.02
CCCC(NC(=O)C(C)SC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002033	1	40	0.0	-8.18	353.57	5.55	-2.63
CCCC(NC(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002034	1	42	0.0	-15.53	358.25	5.42	-10.11
CCCC(NC(=O)C1=CC2=CC=C(OCC)C=C2N1)C1=NNN=N1	REAL000000002035	1	44	0.0	-11.60	362.74	3.82	-7.78
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C(C)=C1)C1=NNN=N1	REAL000000002036	1	43	0.0	-13.43	364.15	5.92	-7.52
CCCC(NC(=O)C1=CC=CC(NC(=O)CC)=C1)C1=NNN=N1	REAL000000002037	1	43	0.0	-21.00	354.40	3.38	-17.63
CCCC(NC(=O)CCCOCCC1=CC=CC=C1)C1=NNN=N1	REAL000000002038	1	49	0.0	-12.94	400.78	5.97	-6.97
CCCC(NC(=O)C1CCCN(C(=O)CC)C1)C1=NNN=N1	REAL000000002039	1	46	0.0	-11.48	352.26	3.18	-8.30
CCCC(NC(=O)C1CC(C2=CC=C(Cl)C=C2Cl)=NO1)C1=NNN=N1	REAL000000002040	1	41	0.0	-16.68	367.81	5.73	-10.96
CCCC(NC(=O)C(C)OC1=CC(C)=CC=C1C(C)C)C1=NNN=N1	REAL000000002041	1	52	0.0	-13.76	408.75	7.46	-6.29
CCCC(NC(=O)C(C)OC1=CC(C)=CC=C1Cl)C1=NNN=N1	REAL000000002042	1	43	0.0	-15.66	366.17	6.02	-9.64
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)C)=C1)C1=NNN=N1	REAL000000002043	1	49	0.0	-14.00	388.91	6.74	-7.27
CCCC(NC(=O)C1=CC(C)=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000002044	1	41	0.0	-11.44	339.12	4.63	-6.81
CCCC(NC(=O)C1CCCN(C(=O)C2=CC(C)=CC(C)=C2)C1)C1=NNN=N1	REAL000000002045	1	56	0.0	-11.55	431.00	6.47	-5.07
CCCC(NC(=O)COC1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000002046	1	38	0.0	-18.31	332.13	4.62	-13.69
CCCC(NC(=O)C1=CC(S(=O)(=O)NCC)=CC=C1F)C1=NNN=N1	REAL000000002047	1	44	0.0	-17.07	379.89	0.77	-16.30
CCCC(NC(=O)C1=C(C)OC2=CC=C(OC)C=C21)C1=NNN=N1	REAL000000002048	1	43	0.0	-15.25	360.88	4.04	-11.21
CCCC(NC(=O)C1=NOC(C2=CC=NC=C2)=C1)C1=NNN=N1	REAL000000002049	1	38	0.0	-10.61	331.60	2.92	-7.69
CCCC(NC(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=NNN=N1	REAL000000002050	1	39	0.0	-14.79	332.02	2.05	-12.74
CCCC(NC(=O)C1=CC=C(COC2=CC=CC=C2C#N)O1)C1=NNN=N1	REAL000000002051	1	45	0.0	-18.64	393.99	5.52	-13.12
CCCC(NC(=O)C1=CC=C(SC(C)C)C=C1)C1=NNN=N1	REAL000000002052	1	43	0.0	-11.01	355.51	6.04	-4.96
CCCC(NC(=O)C1=CC=C(SCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000002053	1	47	0.0	-12.19	399.15	8.55	-3.64
CCCC(NC(=O)CSCC1=CC=CC=N1)C1=NNN=N1	REAL000000002054	1	39	0.0	-15.40	341.76	3.85	-11.55
CCCC(NC(=O)CSCC1=CC=NC=C1)C1=NNN=N1	REAL000000002055	1	39	0.0	-12.07	334.47	3.61	-8.46
CCCC(NC(=O)CN1N=C(C)C(Br)=C1C)C1=NNN=N1	REAL000000002056	1	39	0.0	-12.93	338.05	3.04	-9.89
CCCC(NC(=O)C1=CC=NC(N2C=CN=C2)=C1)C1=NNN=N1	REAL000000002057	1	39	0.0	-15.82	331.11	5.34	-10.48
CCCC(NC(=O)CCSCC1=CC=CC=N1)C1=NNN=N1	REAL000000002058	1	42	0.0	-12.92	363.44	4.65	-8.27
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)C1=NNN=N1	REAL000000002059	1	44	0.0	-12.18	366.57	4.79	-7.39
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1OC)C1=NNN=N1	REAL000000002060	1	41	0.0	-9.21	350.10	4.42	-4.79
CCCC(NC(=O)C1=CC2=CC=CC([N+](=O)[O-])=C2N1)C1=NNN=N1	REAL000000002061	1	39	0.0	-13.66	337.33	4.34	-9.32
CCCC(NC(=O)CCCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002062	1	48	0.0	-21.23	394.77	5.08	-16.16
CCCC(NC(=O)C(C)SC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000002063	1	40	0.0	-14.27	352.33	5.71	-8.56
CCCC(NC(=O)C(C)SC1=CC=C(NC(C)=O)C=C1)C1=NNN=N1	REAL000000002064	1	47	0.0	-14.19	393.32	4.09	-10.10
CCCC(NC(=O)C(C)SC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000002065	1	40	0.0	-8.50	362.12	5.91	-2.59
CCCC(NC(=O)C(C)SC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002066	1	44	0.0	-12.29	368.94	4.56	-7.73
CCCC(NC(=O)CCCOC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000002067	1	43	0.0	-13.40	370.45	5.26	-8.14
CCCC(NC(=O)CCOC1=CC=CC=C1Br)C1=NNN=N1	REAL000000002068	1	40	0.0	-10.92	352.64	4.65	-6.27
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000002069	1	40	0.0	-9.92	364.98	5.05	-4.87
CCCC(NC(=O)C1CCCN(C(=O)NC2=CC=CC(C)=C2)C1)C1=NNN=N1	REAL000000002070	1	55	0.0	-12.89	422.89	5.67	-7.22
CCCC(NC(=O)CC1CCCC(C(F)(F)F)C1)C1=NNN=N1	REAL000000002071	1	45	0.0	-9.72	359.57	5.52	-4.19
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=N2)N=C1C)C1=NNN=N1	REAL000000002072	1	48	0.0	-18.91	395.74	6.12	-12.79
CCCC(NC(=O)CCC1=CC=CC=C1Br)C1=NNN=N1	REAL000000002073	1	39	0.0	-9.83	339.94	5.58	-4.25
CCCC(NC(=O)C1=CC=C(Br)C=C1Cl)C1=NNN=N1	REAL000000002074	1	33	0.0	-10.84	311.54	4.79	-6.05
CCCC(NC(=O)C1=CC=C(Br)C=C1C)C1=NNN=N1	REAL000000002075	1	36	0.0	-8.96	315.07	4.96	-4.00
CCCC(NC(=O)CCCC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000002076	1	42	0.0	-10.24	369.98	6.56	-3.68
CCCC(NC(=O)C(C)N1C=C(Br)C=N1)C1=NNN=N1	REAL000000002077	1	36	0.0	-13.40	322.78	2.86	-10.53
CCCC(NC(=O)C1=CC=C(NC(=O)NC(C)C)C=C1)C1=NNN=N1	REAL000000002078	1	48	0.0	-18.94	390.96	2.85	-16.09
CCCC(NC(=O)CN1N=C(C2=CC=CC=C2)C=CC1=O)C1=NNN=N1	REAL000000002079	1	45	0.0	-19.23	378.63	4.76	-14.47
CCCC(NC(=O)C1=CC=C2C(=O)N(C(C)C)S(=O)(=O)C2=C1)C1=NNN=N1	REAL000000002080	1	47	0.0	-14.27	390.76	1.29	-12.99
CCCC(NC(=O)C1=CC=C2C(=O)N(C3CC3)S(=O)(=O)C2=C1)C1=NNN=N1	REAL000000002081	1	45	0.0	-18.23	387.20	1.72	-16.51
CCCC(NC(=O)COC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000002082	1	41	0.0	-16.86	340.77	3.54	-13.32
CCCC(NC(=O)C1=CC2=CC=C(OC(F)(F)F)C=C2N1)C1=NNN=N1	REAL000000002083	1	41	0.0	-10.50	357.37	3.36	-7.14
CCCC(NC(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1=NNN=N1	REAL000000002084	1	45	0.0	-23.88	363.88	3.02	-20.86
CCCC(NC(=O)CCCNC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000002085	1	50	0.0	-14.75	417.25	3.85	-10.90
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=NNN=N1	REAL000000002086	1	44	0.0	-21.13	373.74	3.69	-17.44
CCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C1=NN=N[N-]1	REAL000000002087	0	54	0.0	-70.92	413.88	6.41	-64.51
CCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C1=N[N-]N=N1	REAL000000002087	1	54	0.0	-70.93	413.82	6.42	-64.51
CCCC(NC(=O)CCC(=O)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000002088	1	41	0.0	-12.92	354.93	5.12	-7.80
CCCC(NC(=O)C1=CC(C)=NC2=CC(C)=NN21)C1=NNN=N1	REAL000000002089	1	41	0.0	-10.86	334.41	3.74	-7.13
CCCC(NC(=O)CS(=O)(=O)NC1=CC=C(OC(C)C)C=C1)C1=NNN=N1	REAL000000002090	1	51	0.0	-22.05	426.97	1.35	-20.70
CCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=NN=N[N-]1	REAL000000002091	0	55	0.0	-75.72	425.94	4.74	-70.98
CCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=N[N-]N=N1	REAL000000002091	1	55	0.0	-75.71	425.88	4.73	-70.99
CCCC(NC(=O)C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1)C1=NNN=N1	REAL000000002093	1	40	0.0	-9.52	381.31	7.36	-2.16
CCCC(NC(=O)CCCC1=NC(CC)=NO1)C1=NNN=N1	REAL000000002094	1	43	0.0	-16.71	358.31	2.12	-14.59
CCCC1=NOC(CCCC(=O)NC(CCC)C2=NNN=N2)=N1	REAL000000002095	1	46	0.0	-16.51	379.81	2.91	-13.59
CCCCC1=CC=C(C(=O)CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002096	1	53	0.0	-8.79	422.69	7.64	-1.15
CCCC(NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NNN=N1	REAL000000002097	1	47	0.0	-7.91	390.61	7.67	-0.24
CCCC(NC(=O)C1=C(CC)C(C(C)=O)=C(C)N1)C1=NNN=N1	REAL000000002098	1	45	0.0	-11.98	364.14	3.68	-8.30
CCCC(NC(=O)CN(C)C(=O)C1=CC=C(Br)O1)C1=NNN=N1	REAL000000002099	1	40	0.0	-16.01	359.62	3.31	-12.70
CCCC(NC(=O)C1=CC2=C(N=C(N(C)C)S2)S1)C1=NNN=N1	REAL000000002100	1	40	0.0	-12.33	358.45	4.04	-8.30
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=N1)C1=NNN=N1	REAL000000002101	1	45	0.0	-10.43	364.24	4.14	-6.29
CCCC(NC(=O)CCN1C=C(Br)C=N1)C1=NNN=N1	REAL000000002102	1	36	0.0	-8.26	319.22	2.60	-5.66
CCCC(NC(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000002103	1	44	0.0	-24.77	371.02	2.53	-22.24
CCCC(NC(=O)C1=CC2=C(N=C(N(CC)CC)S2)S1)C1=NNN=N1	REAL000000002104	1	46	0.0	-11.98	402.07	5.94	-6.04
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1=NNN=N1	REAL000000002105	1	35	0.0	-15.17	310.45	4.40	-10.77
CCCC(NC(=O)CS(=O)(=O)NC(C)(C)C)C1=NNN=N1	REAL000000002106	1	43	0.0	-21.39	346.78	-1.02	-22.40
CCCC(NC(=O)CCCS(=O)(=O)N1CCCC1)C1=NNN=N1	REAL000000002107	1	47	0.0	-21.62	388.05	1.35	-20.27
CCCC(NC(=O)CN(C)C(=O)C(C)N1C=CC=N1)C1=NNN=N1	REAL000000002108	1	46	0.0	-19.82	373.45	2.64	-17.18
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000002109	1	41	0.0	-9.11	346.22	3.98	-5.13
CCCC(NC(=O)C1=CC=C(N2N=CC(C#N)=C2N)C=C1)C1=NNN=N1	REAL000000002110	1	43	0.0	-16.38	369.55	4.25	-12.12
CCCC(NC(=O)CC1=CC=C(F)C(Br)=C1)C1=NNN=N1	REAL000000002111	1	36	0.0	-12.85	329.37	5.00	-7.85
CCCC(NC(=O)C1=CN=C(OC(C)C)C(Cl)=C1)C1=NNN=N1	REAL000000002112	1	42	0.0	-7.83	355.68	2.46	-5.36
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000002113	1	45	0.0	-11.50	369.87	7.36	-4.14
CCCC(NC(=O)C1=CC(F)=CC2=C1NC(=S)N2)C1=NNN=N1	REAL000000002114	1	37	0.0	-14.85	322.60	3.21	-11.64
CCCC(NC(=O)CNC(=O)NC1CCCCC1)C1=NNN=N1	REAL000000002115	1	48	0.0	-12.14	379.61	1.26	-10.88
CCCC(NC(=O)CCC(=O)N1CCC2=C(C=CS2)C1)C1=NNN=N1	REAL000000002116	1	47	0.0	-10.09	383.09	4.63	-5.47
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=C1)C1=NNN=N1	REAL000000002117	1	40	0.0	-12.42	355.43	5.31	-7.10
CCCC(C)N1CC(C(=O)NC(CCC)C2=NNN=N2)CC1=O	REAL000000002118	1	49	0.0	-14.07	384.17	4.68	-9.39
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=N1)C1=NNN=N1	REAL000000002119	1	45	0.0	-11.41	371.45	4.48	-6.93
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=N1)C1=NNN=N1	REAL000000002120	1	42	0.0	-12.13	368.34	4.36	-7.77
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000002121	1	42	0.0	-11.77	350.06	3.81	-7.96
CCCC(=O)N1CCCC(C(=O)NC(CCC)C2=NNN=N2)C1	REAL000000002122	1	49	0.0	-16.68	380.59	4.27	-12.40
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)S(=O)(=O)C2=C1)C1=NNN=N1	REAL000000002123	1	44	0.0	-18.03	382.32	1.02	-17.02
CCCC(NC(=O)C1=C(Br)C(C)=NN1)C1=NNN=N1	REAL000000002124	1	33	0.0	-10.88	300.14	1.34	-9.54
CCCC(NC(=O)C1=CC=CC(NC(=O)NC2CC2)=C1)C1=NNN=N1	REAL000000002125	1	46	0.0	-21.50	380.56	2.91	-18.59
CCCC(NC(=O)C1CCCN(S(=O)(=O)CC)C1)C1=NNN=N1	REAL000000002126	1	47	0.0	-14.86	379.28	1.23	-13.63
CCCC(NC(=O)CN(C)C1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000002127	1	43	0.0	-13.12	362.37	5.07	-8.06
CCCC(NC(=O)C1=CC=C(N2CCNC2=O)C(C)=C1)C1=NNN=N1	REAL000000002128	1	46	0.0	-18.42	376.51	3.57	-14.85
CCCC(NC(=O)C=CC1=CC=C2N=CC=CC2=C1)C1=NNN=N1	REAL000000002129	1	42	0.0	-14.16	353.41	5.22	-8.94
CCCC(NC(=O)C1=CN=C2ON=C(CC)C2=C1)C1=NNN=N1	REAL000000002131	1	40	0.0	-12.64	337.65	1.83	-10.81
CCCC(NC(=O)C1=CC=C2C(C)=NN(C3=CC=CC=C3)C2=N1)C1=NNN=N1	REAL000000002132	1	48	0.0	-14.02	403.23	6.94	-7.09
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2S1)C1=NNN=N1	REAL000000002133	1	39	0.0	-9.41	337.85	5.74	-3.67
CCCC(NC(=O)CSCC1=CC=CN=C1)C1=NNN=N1	REAL000000002134	1	39	0.0	-15.20	341.62	3.92	-11.28
CCCC(NC(=O)CC1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000002135	1	39	0.0	-15.13	328.42	3.00	-12.13
CCCC(NC(=O)C(C)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000002136	1	43	0.0	-12.13	347.75	4.19	-7.94
CCCC(NC(=O)C1=CC=C(CSCC)C=C1)C1=NNN=N1	REAL000000002137	1	43	0.0	-8.32	358.12	6.11	-2.21
CCCC(NC(=O)C1=CC=CC(OCC(=O)OC)=C1)C1=NNN=N1	REAL000000002138	1	43	0.0	-16.42	356.38	4.26	-12.16
CCCC(NC(=O)C1=CC=C(OCC(=O)OC)C=C1)C1=NNN=N1	REAL000000002139	1	43	0.0	-17.91	363.49	4.60	-13.31
CCCC(NC(=O)C1=CC2=C(C=CS2)S1)C1=NNN=N1	REAL000000002140	1	33	0.0	-10.22	307.01	4.13	-6.09
CCCC(NC(=O)CC1=CC(=O)OC2=CC(OC)=CC=C12)C1=NNN=N1	REAL000000002141	1	45	0.0	-18.60	369.31	4.71	-13.89
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C)=NN1C)C1=NNN=N1	REAL000000002142	1	38	0.0	-15.89	335.94	2.65	-13.24
CCCC(NC(=O)C1=C2C=CC=CN2C(SC)=N1)C1=NNN=N1	REAL000000002143	1	40	0.0	-14.04	348.74	5.18	-8.86
CCCC(NC(=O)CCNC(=O)OCC(F)(F)F)C1=NNN=N1	REAL000000002144	1	40	0.0	-16.02	355.42	0.44	-15.58
CCCC(NC(=O)CCCOC1=CC=CC=C1F)C1=NNN=N1	REAL000000002145	1	43	0.0	-17.15	359.95	4.83	-12.32
CCCC(NC(=O)C1=CC=C(NC2CC2)N=C1)C1=NNN=N1	REAL000000002146	1	41	0.0	-11.04	338.29	3.18	-7.86
CCCC(NC(=O)CCSC1=NN=NN1C)C1=NNN=N1	REAL000000002147	1	38	0.0	-19.00	337.25	1.72	-17.29
CCCC(NC(=O)CCOCC1=CC=CC=C1)C1=NNN=N1	REAL000000002148	1	43	0.0	-8.16	350.61	4.10	-4.05
CCCC(NC(=O)C(C)SC1=NN=NN1C1CC1)C1=NNN=N1	REAL000000002149	1	42	0.0	-12.88	364.32	3.25	-9.63
C=CC(=O)NCC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002150	1	44	0.0	-15.78	372.06	3.20	-12.58
CCCC(NC(=O)CCC1=CC=C(OC)C(OC)=C1OC)C1=NNN=N1	REAL000000002151	1	51	0.0	-11.94	403.64	3.84	-8.10
CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C=C2)C1=O)C1=NNN=N1	REAL000000002152	1	44	0.0	-12.03	372.09	5.31	-6.72
CCCC(NC(=O)C1=CC=NC(OCC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002153	1	46	0.0	-14.42	386.88	4.36	-10.06
CCCC(NC(=O)C1=CC=C(N2CCCC(C(N)=O)C2)C=C1)C1=NNN=N1	REAL000000002154	1	52	0.0	-15.71	406.33	1.57	-14.14
CCCC(NC(=O)CCCOC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002155	1	43	0.0	-15.25	360.13	4.81	-10.44
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(Cl)S2)CC1)C1=NNN=N1	REAL000000002156	1	47	0.0	-16.72	401.66	5.11	-11.61
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC)C1=NNN=N1	REAL000000002157	1	43	0.0	-8.05	344.07	5.74	-2.31
CCCC(NC(=O)C(C)NC(=O)C1CCCCC1)C1=NNN=N1	REAL000000002158	1	49	0.0	-8.54	374.89	2.94	-5.60
CCCC(NC(=O)CCC1=NC(C2=CC=C(C)C(F)=C2)=NO1)C1=NNN=N1	REAL000000002159	1	47	0.0	-11.25	394.12	4.17	-7.08
CCCC(NC(=O)CCC1=NC(C2=CC=C(F)C(C)=C2)=NO1)C1=NNN=N1	REAL000000002160	1	47	0.0	-12.32	401.35	4.50	-7.83
CCCCCCOC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002161	1	55	0.0	-12.54	439.71	7.73	-4.81
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1)C1=NNN=N1	REAL000000002162	1	40	0.0	-9.17	348.66	5.01	-4.17
CCCC(NC(=O)CNC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000002173	1	38	0.0	-12.26	329.63	3.23	-9.03
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000002174	1	45	0.0	-19.68	374.59	4.57	-15.12
CCCC(NC(=O)CCNC1=CC(Cl)=CC=C1OC)C1=NNN=N1	REAL000000002175	1	45	0.0	-12.40	382.49	3.21	-9.19
CCCC(NC(=O)C1=C(Cl)N=C(N2CCCC2)S1)C1=NNN=N1	REAL000000002176	1	41	0.0	-11.45	357.91	2.97	-8.48
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1)C1=NNN=N1	REAL000000002177	1	44	0.0	-12.95	368.59	4.13	-8.82
CCCC(NC(=O)CC(C)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000002178	1	45	0.0	-8.02	368.74	6.23	-1.79
CCCC(NC(=O)CCCCOC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000002179	1	49	0.0	-9.40	389.44	5.87	-3.53
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NC(CCC)C3=NNN=N3)=C12	REAL000000002180	1	50	0.0	-13.53	412.28	4.04	-9.50
CCCC(NC(=O)C(C)OC1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000002181	1	41	0.0	-17.96	349.52	5.21	-12.75
CCCC(NC(=O)C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002182	1	50	0.0	-18.66	410.02	7.88	-10.78
CCCC(NC(=O)COC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000002183	1	41	0.0	-17.99	338.53	0.60	-17.39
CCCC(NC(=O)C1=CC(F)=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002184	1	35	0.0	-16.64	310.86	5.05	-11.59
CCCC(NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)C(C)=C1)C1=NNN=N1	REAL000000002185	1	47	0.0	-11.56	397.84	8.01	-3.55
CCCC(NC(=O)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1=NNN=N1	REAL000000002186	1	43	0.0	-17.43	377.17	5.81	-11.62
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002187	1	41	0.0	-16.22	359.39	1.53	-14.69
CCCC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=NNN=N1	REAL000000002188	1	52	0.0	-16.97	387.23	4.09	-12.87
CCCC(NC(=O)C1=NC(OCC)=CC=C1Cl)C1=NNN=N1	REAL000000002189	1	39	0.0	-7.53	334.33	1.63	-5.90
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)S2)=N1)C1=NNN=N1	REAL000000002190	1	36	0.0	-10.05	353.65	4.11	-5.94
CCCC(NC(=O)CC1=CSC(C2=CC=C(Cl)S2)=N1)C1=NNN=N1	REAL000000002191	1	39	0.0	-15.86	374.68	4.95	-10.91
CCCC(NC(=O)C1=CN(CCOC)C2=CC=CC=C12)C1=NNN=N1	REAL000000002192	1	47	0.0	-11.87	380.87	4.97	-6.89
CCCC(NC(=O)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000002193	1	46	0.0	-10.40	387.66	4.50	-5.90
C=CCOC1=CC=C(Cl)C(C(=O)NC(CCC)C2=NNN=N2)=N1	REAL000000002194	1	40	0.0	-9.61	354.42	2.53	-7.09
CCCC(NC(=O)C1=CC=C(OCC2CC2)C=C1)C1=NNN=N1	REAL000000002195	1	44	0.0	-7.85	353.46	5.18	-2.67
CCCC(NC(=O)CSCC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000002196	1	40	0.0	-12.89	377.57	6.64	-6.25
CCCC(NC(=O)C1=C(C)C2=C(C)C=CC(C)=C2O1)C1=NNN=N1	REAL000000002197	1	45	0.0	-10.38	363.61	5.91	-4.47
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2F)S1)C1=NNN=N1	REAL000000002198	1	39	0.0	-11.97	341.81	4.48	-7.49
CCCC(NC(=O)C1=C(C(C)C)OC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000002199	1	48	0.0	-9.94	397.38	4.35	-5.59
CCCCCCCCCCCC(=O)NC(CCC)C1=NNN=N1	REAL000000002200	1	56	0.0	-6.76	428.66	8.06	1.30
CCCC(NC(=O)CCSC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002201	1	40	0.0	-10.11	363.84	6.22	-3.89
CCCC(NC(=O)C1CCN(C2=CC=C(F)C=C2)C1=O)C1=NNN=N1	REAL000000002202	1	44	0.0	-12.56	361.78	4.86	-7.70
CCCC(NC(=O)C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O)C1=NNN=N1	REAL000000002203	1	44	0.0	-13.39	386.51	5.79	-7.60
CCCC(NC(=O)C1CCN(C2=CC(C)=CC(C)=C2)C1=O)C1=NNN=N1	REAL000000002204	1	50	0.0	-12.48	398.45	6.11	-6.37
CCCC(NC(=O)C1CCN(C2=CC(Cl)=CC=C2Cl)C1=O)C1=NNN=N1	REAL000000002205	1	44	0.0	-11.47	388.90	6.00	-5.47
CCCC(NC(=O)CN(CC)C1=CC=CC=C1)C1=NNN=N1	REAL000000002206	1	44	0.0	-11.85	354.98	5.49	-6.36
CCCC(NC(=O)C1=C(C)N(CCC#N)N=C1)C1=NNN=N1	REAL000000002207	1	40	0.0	-15.18	340.96	3.25	-11.93
CCCC(NC(=O)CC(O)(C1=NC(C)=CS1)C(F)(F)F)C1=NNN=N1	REAL000000002208	1	42	0.0	-12.23	365.82	1.59	-10.64
CCCC(NC(=O)C(OCC)C1=CC=CC=C1)C1=NNN=N1	REAL000000002209	1	43	0.0	-13.65	356.02	5.44	-8.21
CCCC(NC(=O)CNC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002210	1	40	0.0	-19.76	340.68	3.54	-16.22
CCCC(NC(=O)C1=CC=C2NC(=O)OC2=C1)C1=NNN=N1	REAL000000002211	1	36	0.0	-13.98	302.24	0.83	-13.14
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C1=NNN=N1	REAL000000002212	1	48	0.0	-14.61	406.48	7.36	-7.25
CCCC(NC(=O)C1=CC(Br)=C2OCOC2=C1)C1=NNN=N1	REAL000000002213	1	36	0.0	-8.42	317.83	2.62	-5.80
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1F)C1=NNN=N1	REAL000000002214	1	40	0.0	-18.44	338.36	2.65	-15.79
CCCC(NC(=O)C1=CC=C(F)C(NC(C)=O)=C1)C1=NNN=N1	REAL000000002215	1	40	0.0	-18.34	338.90	2.67	-15.67
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1)C1=NNN=N1	REAL000000002216	1	40	0.0	-12.28	372.55	6.04	-6.24
CCCC(NC(=O)CCC1=NC2=C(C(C)=C(C)S2)C(=O)N1)C1=NNN=N1	REAL000000002217	1	47	0.0	-15.34	395.49	4.04	-11.30
CCCC(NC(=O)CCC1=C(Cl)ON=C1C)C1=NNN=N1	REAL000000002218	1	38	0.0	-11.13	336.51	3.73	-7.40
CCCC(NC(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1=NNN=N1	REAL000000002219	1	53	0.0	-11.17	412.22	7.30	-3.86
CCCC(NC(=O)C1=CC=CC(OCCOC)=C1)C1=NNN=N1	REAL000000002220	1	44	0.0	-15.79	362.69	3.17	-12.62
CCCC(NC(=O)C1=CC=NC(SCC)=C1)C1=NNN=N1	REAL000000002221	1	39	0.0	-9.08	330.68	3.61	-5.46
CCCC(NC(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002222	1	43	0.0	-19.78	365.23	2.85	-16.93
CCCC(NC(=O)CCC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000002223	1	46	0.0	-11.41	375.12	5.37	-6.05
CCCC(NC(=O)C1=CC=C(OCC(=O)NC)C(OC)=C1)C1=NNN=N1	REAL000000002224	1	48	0.0	-20.81	389.66	1.98	-18.83
CCCC(NC(=O)C1=C2C=CC(F)=CC2=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002225	1	48	0.0	-12.43	396.96	7.74	-4.69
CCCC(NC(=O)C1=CC=C(COC2=CC=C(C)C=C2C)O1)C1=NNN=N1	REAL000000002226	1	50	0.0	-9.42	408.04	6.19	-3.23
CCCC(NC(=O)C1=C(C)C2=CC=CC(C)=C2O1)C1=NNN=N1	REAL000000002227	1	42	0.0	-10.30	348.15	5.41	-4.89
CCCC(NC(=O)C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)C1=NNN=N1	REAL000000002229	1	47	0.0	-14.89	405.71	7.45	-7.44
CCCC(NC(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000002230	1	40	0.0	-14.41	352.23	6.30	-8.11
CCCC(NC(=O)CCC1=CC(F)=CC=C1F)C1=NNN=N1	REAL000000002231	1	39	0.0	-10.83	335.61	5.24	-5.59
CCCC(NC(=O)CN1C(=O)SC(C)=C1C)C1=NNN=N1	REAL000000002232	1	39	0.0	-19.44	334.38	3.09	-16.35
CCCC(NC(=O)CCCNC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002233	1	46	0.0	-15.03	386.73	3.66	-11.36
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=N1)C1=NNN=N1	REAL000000002234	1	34	0.0	-14.19	319.98	4.40	-9.79
CCCC(NC(=O)C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1)C1=NNN=N1	REAL000000002235	1	44	0.0	-14.23	390.51	5.65	-8.58
CCCC(NC(=O)CN(C)CC(=O)NC(C)C)C1=NNN=N1	REAL000000002236	1	47	0.0	-15.94	366.56	-0.40	-16.34
CCCC(NC(=O)C1=NC(OC(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002237	1	42	0.0	-7.34	354.47	2.55	-4.79
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002238	1	42	0.0	-22.26	370.66	6.52	-15.74
CCCC(NC(=O)C1=NC(OC)=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000002239	1	42	0.0	-8.95	345.15	2.51	-6.45
CCCC(NC(=O)C1=CC=C(N2NC(=O)CCC2=O)C=C1)C1=NNN=N1	REAL000000002240	1	45	0.0	-17.27	374.61	2.70	-14.57
CCCC(NC(=O)C1=CC=C(C2=CC=NC=C2)NC1=O)C1=NNN=N1	REAL000000002241	1	42	0.0	-16.23	349.38	2.66	-13.57
CCCC(NC(=O)C1=C(Br)C(C2CC2)=NN1)C1=NNN=N1	REAL000000002242	1	37	0.0	-10.92	331.77	2.94	-7.98
CCCC(NC(=O)C1=C(Br)C(C2=CC=CC=C2)=NN1)C1=NNN=N1	REAL000000002243	1	40	0.0	-12.11	355.80	4.17	-7.94
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2F)=N1)C1=NNN=N1	REAL000000002245	1	39	0.0	-10.83	348.64	4.46	-6.38
CCCC(NC(=O)C1=CC(C)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002246	1	38	0.0	-10.80	327.33	4.99	-5.81
CCCC(NC(=O)C1=C2C=CC=CN2C(S(C)(=O)=O)=N1)C1=NNN=N1	REAL000000002248	1	42	0.0	-21.93	365.67	1.43	-20.49
CCCC(NC(=O)C1=CC2=C(N1)SC(Br)=C2)C1=NNN=N1	REAL000000002249	1	34	0.0	-9.97	323.48	3.40	-6.57
CCCCN(C)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002250	1	50	0.0	-11.40	393.82	6.56	-4.84
CCCC(NC(=O)C1=CC=C(N(CC)CCC)C=C1)C1=NNN=N1	REAL000000002251	1	50	0.0	-11.14	394.12	6.72	-4.41
CCCC(NC(=O)C1=CSC(C2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000002252	1	38	0.0	-13.94	340.53	2.59	-11.35
CCCC(NC(=O)C1=C2C(=NC(C)=C1)ON=C2C(C)C)C1=NNN=N1	REAL000000002253	1	46	0.0	-15.06	367.41	2.66	-12.40
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL000000002254	0	50	0.0	-56.07	384.32	5.58	-50.48
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL000000002254	1	50	0.0	-62.54	390.50	5.40	-57.15
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL000000002254	1	50	0.0	-56.06	384.26	5.58	-50.48
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL000000002254	1	50	0.0	-62.54	390.45	5.40	-57.14
CCCC(NC(=O)C1=C(Br)C(C)=NN1C)C1=NNN=N1	REAL000000002255	1	36	0.0	-11.92	326.15	2.48	-9.43
CCCC(NC(=O)C1=CC=CC(N2C=CC(C)=N2)=C1)C1=NNN=N1	REAL000000002256	1	43	0.0	-20.13	358.05	5.45	-14.68
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000002257	1	41	0.0	-12.29	347.10	4.96	-7.34
CCCC(NC(=O)CCCCCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002258	1	58	0.0	-15.41	454.85	4.25	-11.17
CCCC(NC(=O)CCC1=NC2=C(N1)N(C)C(=O)NC2=O)C1=NNN=N1	REAL000000002259	1	45	0.0	-19.16	379.60	0.88	-18.28
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL000000002260	0	51	0.0	-60.44	395.83	7.51	-52.93
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL000000002260	1	51	0.0	-55.89	395.82	7.51	-48.38
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL000000002260	1	51	0.0	-60.43	395.77	7.51	-52.92
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL000000002260	1	51	0.0	-55.88	395.76	7.52	-48.37
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002261	0	51	0.0	-67.44	395.63	7.30	-60.14
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002261	1	51	0.0	-67.44	395.58	7.30	-60.14
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000002262	0	51	0.0	-54.66	389.45	7.45	-47.22
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000002262	1	51	0.0	-58.71	395.63	7.25	-51.45
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000002262	1	51	0.0	-54.66	389.39	7.45	-47.21
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000002262	1	51	0.0	-58.71	395.57	7.25	-51.46
CCCC(NC(=O)CCC(=O)NCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002263	1	52	0.0	-12.67	425.05	2.42	-10.25
CCCC(NC(=O)C1=CC=C(OC2=CC=CN=C2)C=C1)C1=NNN=N1	REAL000000002264	1	43	0.0	-13.48	361.23	4.69	-8.79
CCCC(NC(=O)CC1=CN(C)C2=CC=CC=C12)C1=NNN=N1	REAL000000002265	1	43	0.0	-11.82	349.52	5.78	-6.03
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002266	1	36	0.0	-12.95	321.99	4.71	-8.24
CCCC(NC(=O)C1=CC=C(Br)C(F)=C1)C1=NNN=N1	REAL000000002267	1	33	0.0	-6.66	297.52	4.00	-2.66
CCCC(NC(=O)C(C)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000002268	1	43	0.0	-14.41	356.61	5.41	-8.99
CCCC(NC(=O)CCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000002269	1	46	0.0	-16.14	385.73	1.19	-14.95
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC)C=C1)C1=NNN=N1	REAL000000002270	1	42	0.0	-18.01	359.85	2.09	-15.92
CCCC(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002271	1	46	0.0	-11.42	366.29	1.37	-10.05
CCCC(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002272	1	46	0.0	-10.56	366.28	1.37	-9.19
CCCC(NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NNN=N1	REAL000000002273	1	42	0.0	-13.21	360.13	5.17	-8.05
CCCC(NC(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=NNN=N1	REAL000000002274	1	40	0.0	-15.62	343.09	4.96	-10.65
CCCC(NC(=O)C=C(C)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002275	1	40	0.0	-6.80	331.46	5.40	-1.40
CCCC(NC(=O)CCOC1=CC=C(CCC(C)=O)C=C1)C1=NNN=N1	REAL000000002276	1	51	0.0	-14.52	419.82	6.09	-8.42
CCCC(NC(=O)CCCOC1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000002277	1	48	0.0	-21.12	394.22	5.14	-15.99
CCCC(NC(=O)CNC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000002278	1	44	0.0	-9.89	366.45	2.08	-7.81
CCCC(NC(=O)CC(C)(C)C1=CC=CC=C1)C1=NNN=N1	REAL000000002279	1	45	0.0	-9.39	347.75	5.90	-3.48
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)NC(C)(C)C)=C1)C1=NNN=N1	REAL000000002280	1	53	0.0	-19.63	425.19	2.51	-17.12
CCCC(NC(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002281	1	41	0.0	-14.48	343.27	5.51	-8.97
CCCC(NC(=O)CC1=C(C)N(C(F)F)N=C1C)C1=NNN=N1	REAL000000002282	1	42	0.0	-15.04	356.31	3.28	-11.76
CCCC(NC(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=NNN=N1	REAL000000002283	1	38	0.0	-13.62	334.92	3.03	-10.59
CCCC(NC(=O)CCN1C=C([N+](=O)[O-])N=C1C)C1=NNN=N1	REAL000000002284	1	41	0.0	-19.30	354.47	5.36	-13.95
CCCC(NC(=O)C1=CC=C(N(CC)CC)N=C1)C1=NNN=N1	REAL000000002285	1	46	0.0	-11.36	369.85	5.41	-5.96
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2OC)C=C1)C1=NNN=N1	REAL000000002286	1	47	0.0	-14.45	387.81	5.13	-9.32
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C)C1=NNN=N1	REAL000000002287	1	40	0.0	-17.27	335.65	2.52	-14.75
CCCC(NC(=O)C1=CN(CC(=O)N(C)C)N=N1)C1=NNN=N1	REAL000000002288	1	42	0.0	-20.70	348.80	0.08	-20.62
CCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=NN=N[N-]1	REAL000000002289	0	56	0.0	-72.55	420.71	5.91	-66.64
CCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=N[N-]N=N1	REAL000000002289	1	56	0.0	-72.54	420.66	5.91	-66.64
CCCC(NC(=O)CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)C1=NNN=N1	REAL000000002290	1	47	0.0	-16.29	394.74	5.01	-11.28
CCCC(NC(=O)CC1=CSC(CC2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000002291	1	45	0.0	-12.29	388.41	5.71	-6.57
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C)C2=C1CCC2)C1=NNN=N1	REAL000000002292	1	50	0.0	-11.36	390.34	7.12	-4.24
CCCC(NC(=O)COC1=CC=C(C#N)C=C1Cl)C1=NNN=N1	REAL000000002293	1	38	0.0	-18.76	348.09	5.17	-13.59
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCSCC2)=CN1)C1=NNN=N1	REAL000000002294	1	47	0.0	-19.36	403.91	1.20	-18.16
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(Cl)S2)S1)C1=NNN=N1	REAL000000002295	1	39	0.0	-8.83	370.99	4.91	-3.92
CCCC(NC(=O)CC1=CC=CC(OC(C)C)=C1)C1=NNN=N1	REAL000000002296	1	46	0.0	-12.72	371.64	5.19	-7.52
CCCC(NC(=O)COCCC1=CC=CC=C1)C1=NNN=N1	REAL000000002297	1	43	0.0	-13.24	358.32	5.48	-7.76
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2OC)=N1)C1=NNN=N1	REAL000000002298	1	43	0.0	-11.77	371.31	4.03	-7.74
CCCC(NC(=O)C1CC(=O)N(CCN2CCOCC2)C1)C1=NNN=N1	REAL000000002299	1	53	0.0	-15.29	415.06	0.73	-14.56
CCCC(NC(=O)C1=CC=C(CS(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000002300	1	41	0.0	-21.45	355.84	-0.69	-22.14
CCCC(NC(=O)CCCCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000002301	1	52	0.0	-19.81	435.89	3.07	-16.75
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)NC1=O)C1=NNN=N1	REAL000000002302	1	40	0.0	-25.28	347.79	4.61	-20.66
CCCC(NC(=O)C1=CSC(CC(C)C)=N1)C1=NNN=N1	REAL000000002303	1	41	0.0	-9.63	346.64	3.38	-6.24
CCCC(NC(=O)CCCCC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000002304	1	48	0.0	-10.91	388.16	7.37	-3.54
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Cl)N=C1)C1=NNN=N1	REAL000000002305	1	40	0.0	-13.98	350.81	5.52	-8.47
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(F)=C1)C1=NNN=N1	REAL000000002306	1	39	0.0	-15.17	336.80	4.50	-10.68
CCCC(NC(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002307	1	39	0.0	-19.41	344.37	5.51	-13.90
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000002308	1	56	0.0	-11.32	417.77	4.97	-6.35
CCCC(NC(=O)C1COC2=CC(OC)=CC=C2C1)C1=NNN=N1	REAL000000002309	1	45	0.0	-11.74	361.75	3.50	-8.25
CCCC(NC(=O)C1=CN(C2=CC=CC=C2Cl)N=N1)C1=NNN=N1	REAL000000002310	1	39	0.0	-13.60	347.16	3.89	-9.71
CCCC(NC(=O)CCCC1=CC=C2CC3=CC=CC=C3C2=C1)C1=NNN=N1	REAL000000002311	1	53	0.0	-15.12	429.47	10.00	-5.12
CCCC(NC(=O)CCCOC1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000002312	1	43	0.0	-16.46	366.36	4.89	-11.57
CCCC(NC(=O)CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002313	1	46	0.0	-13.32	395.34	3.17	-10.15
CCCC(NC(=O)CCN1C=C(S(N)(=O)=O)C=N1)C1=NNN=N1	REAL000000002314	1	41	0.0	-17.58	361.17	-2.82	-20.41
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)N1C)C1=NNN=N1	REAL000000002315	1	44	0.0	-11.57	361.93	6.34	-5.23
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2CC(C)C)C1=NNN=N1	REAL000000002316	1	47	0.0	-12.64	381.83	4.72	-7.92
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)S1)C1=NNN=N1	REAL000000002317	1	44	0.0	-7.35	356.76	3.65	-3.70
CCCC(NC(=O)C1=CN2C(C)=NN=C2C=C1)C1=NNN=N1	REAL000000002318	1	38	0.0	-16.77	320.56	4.77	-12.00
CCCC(NC(=O)CSCC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000002319	1	42	0.0	-20.22	383.55	6.08	-14.14
CCCC(NC(=O)CN1C=C(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000002320	1	43	0.0	-12.39	350.25	6.15	-6.24
CCCCN(CC)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002321	1	53	0.0	-11.15	415.62	7.51	-3.64
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C(C)C)=N1)C1=NNN=N1	REAL000000002322	1	48	0.0	-14.89	403.35	6.52	-8.37
CCCC(NC(=O)C1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NNN=N1	REAL000000002323	1	39	0.0	-24.29	338.31	4.31	-19.98
CCCC(NC(=O)CN1C=C(S(N)(=O)=O)C=N1)C1=NNN=N1	REAL000000002324	1	38	0.0	-24.57	339.01	-3.38	-27.94
CCCC(NC(=O)C1=CN(CC(OCC)OCC)N=N1)C1=NNN=N1	REAL000000002325	1	49	0.0	-12.68	402.95	1.75	-10.93
CCCC(NC(=O)CSCC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000002326	1	42	0.0	-20.75	366.84	5.57	-15.18
CCCC(NC(=O)CC1=CN(CC)C2=CC=CC=C12)C1=NNN=N1	REAL000000002327	1	46	0.0	-11.34	371.37	6.69	-4.66
CCCC(NC(=O)C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)C1=NNN=N1	REAL000000002328	1	41	0.0	-13.24	373.17	5.13	-8.11
CCCC(NC(=O)C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C1=NNN=N1	REAL000000002329	1	41	0.0	-13.40	373.19	5.13	-8.27
CCCC(NC(=O)C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1)C1=NNN=N1	REAL000000002330	1	51	0.0	-19.73	413.55	1.34	-18.40
CCCC(NC(=O)CCC1=NC(C2=NNC=N2)=NO1)C1=NNN=N1	REAL000000002331	1	40	0.0	-20.52	350.07	0.87	-19.65
CCCC(NC(=O)C(C)OCC1CCCCO1)C1=NNN=N1	REAL000000002332	1	47	0.0	-15.42	371.10	3.74	-11.68
CCCC(NC(=O)CCCOC1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000002333	1	43	0.0	-16.75	384.93	5.77	-10.98
CCCC(NC(=O)C(C)OC1=CC=C(CCC(C)=O)C=C1)C1=NNN=N1	REAL000000002334	1	51	0.0	-17.35	415.51	6.97	-10.38
CCCC(NC(=O)C1=CN=C(C2=CC=C(C)C=C2C)S1)C1=NNN=N1	REAL000000002335	1	45	0.0	-11.12	386.03	5.98	-5.14
CCCC(NC(=O)C(C)OC1=CC=CC(C(C)=O)=C1)C1=NNN=N1	REAL000000002336	1	45	0.0	-22.48	371.46	5.30	-17.18
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1)C1=NNN=N1	REAL000000002337	1	39	0.0	-10.60	374.09	5.86	-4.73
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CCCC#N)C=C1)C1=NNN=N1	REAL000000002338	1	46	0.0	-27.00	402.20	3.40	-23.59
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C#N)C=C2)C1)C1=NNN=N1	REAL000000002339	1	45	0.0	-17.18	377.75	5.00	-12.18
CCCC(NC(=O)C=C(C)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000002340	1	43	0.0	-9.58	370.97	6.65	-2.93
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Cl)C1=NNN=N1	REAL000000002341	1	36	0.0	-10.81	333.32	5.26	-5.54
CCCC(NC(=O)C1=CC=CC(CS(N)(=O)=O)=C1)C1=NNN=N1	REAL000000002342	1	41	0.0	-19.09	348.66	-1.01	-20.10
CCCC(NC(=O)C(C)C1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000002343	1	45	0.0	-15.85	352.70	3.50	-12.36
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002344	1	45	0.0	-12.13	373.28	4.30	-7.83
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(OC)=C1)C1=NNN=N1	REAL000000002345	1	43	0.0	-20.57	366.77	4.99	-15.58
CCCC(NC(=O)CCOC1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000002346	1	49	0.0	-10.67	392.43	5.91	-4.76
CCCC(NC(=O)C1=CC=CC2=C1OCCO2)C1=NNN=N1	REAL000000002347	1	39	0.0	-11.68	312.77	3.49	-8.19
CCCC(NC(=O)CCOC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000002348	1	43	0.0	-10.75	374.05	5.32	-5.43
CCCC(NC(=O)C1=CC(Br)=CS1)C1=NNN=N1	REAL000000002349	1	30	0.0	-10.16	291.34	3.27	-6.89
CCCC(NC(=O)CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000002350	1	47	0.0	-16.50	405.48	2.20	-14.30
CCCC(NC(=O)C1=NOC(C2=CC=C(OC)C=C2F)=C1)C1=NNN=N1	REAL000000002351	1	43	0.0	-10.98	373.12	4.09	-6.89
CCCC(NC(=O)C1=CC=C(Cl)C(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002352	1	41	0.0	-15.55	358.52	0.62	-14.93
CCCC(NC(=O)C1=CC=C(N2CCOCC2)C=C1)C1=NNN=N1	REAL000000002353	1	46	0.0	-11.99	361.50	2.51	-9.48
CCCC(NC(=O)C1=CC=CC(CSC2=NC=CN2C)=C1)C1=NNN=N1	REAL000000002354	1	47	0.0	-13.10	396.33	6.83	-6.26
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002355	1	46	0.0	-13.66	374.76	5.22	-8.44
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(CC)=N1)C1=NNN=N1	REAL000000002356	1	45	0.0	-15.04	382.85	6.09	-8.94
CCCC(NC(=O)CCC1=CC=C(Br)C=C1F)C1=NNN=N1	REAL000000002357	1	39	0.0	-11.22	350.50	5.79	-5.43
CCCC(NC(=O)C1=CC=C(N(CC)CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000002358	1	54	0.0	-12.49	427.51	8.77	-3.71
CCCC(NC(=O)C(C)CC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002359	1	42	0.0	-7.64	338.34	5.35	-2.29
CCCC(NC(=O)C(C)CC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002360	1	42	0.0	-10.66	345.53	5.67	-4.98
C=CCN1C(=O)C(=O)N(CC(=O)NC(CCC)C2=NNN=N2)C1=O	REAL000000002361	1	41	0.0	-15.59	361.93	2.19	-13.40
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1C)C1=NNN=N1	REAL000000002362	1	38	0.0	-9.16	314.82	4.68	-4.48
CCCC(NC(=O)CCCCC1SCC2NC(=O)NC12)C1=NNN=N1	REAL000000002363	1	50	0.0	-14.62	400.28	1.19	-13.43
CCCC(NC(=O)C1=CC=C(N(CC)C(C)C)C=C1)C1=NNN=N1	REAL000000002364	1	50	0.0	-11.17	383.54	6.26	-4.91
CCCC(NC(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=NNN=N1	REAL000000002365	1	38	0.0	-18.31	328.43	5.52	-12.79
CCCC(NC(=O)CC1C(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000002366	1	41	0.0	-17.40	338.98	4.07	-13.33
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1)C1=NNN=N1	REAL000000002367	1	40	0.0	-12.39	344.31	5.19	-7.20
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2Cl)S1)C1=NNN=N1	REAL000000002368	1	39	0.0	-13.37	356.87	5.48	-7.89
CCCC(NC(=O)CNC1=CC(Cl)=CC=C1OC)C1=NNN=N1	REAL000000002369	1	42	0.0	-8.77	353.17	2.24	-6.53
CCCC(NC(=O)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000002370	1	46	0.0	-19.32	406.73	1.35	-17.97
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002371	1	47	0.0	-10.21	378.59	6.42	-3.79
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C1=NN=N[N-]1	REAL000000002372	0	47	0.0	-65.63	374.41	5.23	-60.40
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C1=N[N-]N=N1	REAL000000002372	1	47	0.0	-65.62	374.35	5.22	-60.41
CCCC(NC(=O)C1=CC=C(N(C)C)C(F)=C1)C1=NNN=N1	REAL000000002373	1	41	0.0	-12.91	338.41	3.22	-9.69
CCCC(NC(=O)CCCOC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000002374	1	43	0.0	-15.53	369.75	5.30	-10.23
CCCC(NC(=O)C1=NC(C(C)C)=NC=C1Cl)C1=NNN=N1	REAL000000002375	1	40	0.0	-8.60	346.05	3.42	-5.18
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)NC1=O)C1=NNN=N1	REAL000000002376	1	40	0.0	-14.34	339.51	2.60	-11.74
CCCC(NC(=O)CCCOCC1=CC=CC=C1)C1=NNN=N1	REAL000000002377	1	46	0.0	-14.02	379.28	5.20	-8.82
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CCCC2)C=C1)C1=NNN=N1	REAL000000002378	1	49	0.0	-13.63	394.08	3.67	-9.96
CCCC(NC(=O)C1=CC=C(N(C)CCC)C=C1)C1=NNN=N1	REAL000000002379	1	47	0.0	-11.38	372.32	5.78	-5.60
CCCC(NC(=O)CCCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000002380	1	49	0.0	-18.73	407.20	1.95	-16.78
CCCC(NC(=O)CN1C=C([N+](=O)[O-])N=C1C)C1=NNN=N1	REAL000000002381	1	38	0.0	-24.43	334.37	4.86	-19.57
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)CCC)C=C1)C1=NN=N[N-]1	REAL000000002382	0	53	0.0	-72.69	410.10	7.65	-65.04
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)CCC)C=C1)C1=NN=N[N-]1	REAL000000002382	1	53	0.0	-72.77	409.64	7.63	-65.14
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)CCC)C=C1)C1=N[N-]N=N1	REAL000000002382	1	53	0.0	-72.68	410.04	7.65	-65.04
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)CCC)C=C1)C1=N[N-]N=N1	REAL000000002382	1	53	0.0	-72.76	409.58	7.63	-65.13
CCCC(NC(=O)C1=CC=C(N(CC)CCC)N=C1)C1=NNN=N1	REAL000000002383	1	49	0.0	-11.21	391.35	6.18	-5.03
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=NNN=N1	REAL000000002384	1	39	0.0	-10.71	376.87	5.44	-5.27
CCCC(NC(=O)C1=CC2=CC=CC(OC)=C2OC1)C1=NNN=N1	REAL000000002385	1	43	0.0	-10.99	345.68	3.71	-7.28
CCCC(NC(=O)C1=CC=CC(CN2N=C(C)C=C2C)=C1)C1=NNN=N1	REAL000000002386	1	49	0.0	-13.85	399.35	6.24	-7.61
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)S1)C1=NNN=N1	REAL000000002387	1	35	0.0	-15.55	325.97	-2.34	-17.90
CCCC(NC(=O)CN1C=CC2=CC([N+](=O)[O-])=CC=C21)C1=NNN=N1	REAL000000002388	1	42	0.0	-16.35	356.43	6.12	-10.23
CCCC(NC(=O)C1=C(C)SC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000002390	1	38	0.0	-12.56	336.27	-1.94	-14.50
CCCC(NC(=O)C(C)N1C(=S)N=NC1C1=CC=CS1)C1=NNN=N1	REAL000000002391	1	43	0.0	-16.41	375.50	3.24	-13.17
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)C1=NNN=N1	REAL000000002392	1	45	0.0	-18.51	392.19	1.57	-16.93
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2N1)C1=NNN=N1	REAL000000002393	1	37	0.0	-12.89	332.48	4.18	-8.71
CCCC(NC(=O)CC1=CNC2=CC(F)=CC=C12)C1=NNN=N1	REAL000000002394	1	40	0.0	-14.12	340.68	4.46	-9.66
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C1=NNN=N1	REAL000000002395	1	39	0.0	-15.12	333.18	4.42	-10.70
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002396	0	51	0.0	-67.44	395.63	7.30	-60.14
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002396	1	51	0.0	-67.44	395.58	7.30	-60.14
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)N1)C1=NNN=N1	REAL000000002397	1	43	0.0	-12.92	357.51	4.72	-8.20
CCCC(NC(=O)C(C)OC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000002398	1	40	0.0	-13.26	341.41	4.94	-8.32
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C2COCC2=C1)C1=NNN=N1	REAL000000002399	1	46	0.0	-17.72	392.42	-0.65	-18.36
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C1=NN=N[N-]1	REAL000000002400	0	53	0.0	-70.08	392.06	6.73	-63.35
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C1=NN=N[N-]1	REAL000000002400	1	53	0.0	-73.01	392.59	6.92	-66.09
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C1=N[N-]N=N1	REAL000000002400	1	53	0.0	-70.08	392.00	6.73	-63.35
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C1=N[N-]N=N1	REAL000000002400	1	53	0.0	-73.00	392.53	6.91	-66.10
CCCC(NC(=O)C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)C1=NNN=N1	REAL000000002401	1	41	0.0	-8.79	363.74	3.28	-5.51
CCCC(NC(=O)C1=CC(C)=CC=C1I)C1=NNN=N1	REAL000000002402	1	36	0.0	-10.21	320.87	5.41	-4.79
CCCNC(=O)NC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000002403	1	51	0.0	-17.45	416.57	3.46	-13.99
CCCC(NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=NNN=N1	REAL000000002404	1	50	0.0	-20.98	394.79	0.95	-20.03
CCCC(NC(=O)C1=CC=C(OCCCOC)N=C1)C1=NNN=N1	REAL000000002405	1	46	0.0	-8.86	374.69	0.86	-8.00
CCCC(NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C1=NNN=N1	REAL000000002406	1	59	0.0	-17.02	446.94	5.70	-11.32
CCCC(NC(=O)C1=CC(C)=C(C2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000002407	1	43	0.0	-7.78	368.20	6.73	-1.05
CCCC(NC(=O)CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=NNN=N1	REAL000000002408	1	45	0.0	-16.74	392.07	3.97	-12.77
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)N=C1C)C1=NNN=N1	REAL000000002409	1	42	0.0	-12.78	350.60	4.29	-8.48
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)N=C1C)C1=NNN=N1	REAL000000002410	1	42	0.0	-9.46	349.34	4.74	-4.72
CCCC(NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1=NNN=N1	REAL000000002411	1	62	0.0	-16.79	463.59	6.33	-10.45
CCCC(NC(=O)C1=CSC(CC2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000002412	1	42	0.0	-12.26	374.73	5.20	-7.06
CCCOC1=CC=C(C2=NC(C(=O)NC(CCC)C3=NNN=N3)=CS2)C=C1	REAL000000002413	1	49	0.0	-8.49	410.59	5.19	-3.30
CCCC(NC(=O)CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)C1=NNN=N1	REAL000000002414	1	47	0.0	-12.84	396.49	1.18	-11.66
CCCC(NC(=O)CC1=CNC2=CC(C)=CC=C12)C1=NNN=N1	REAL000000002415	1	43	0.0	-14.02	355.64	5.06	-8.96
CCCC(NC(=O)C1CCCN(C(=O)C(C)CC)C1)C1=NNN=N1	REAL000000002418	1	52	0.0	-16.32	395.91	4.62	-11.70
CCCC(NC(=O)C1=CC=C(F)C(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002419	1	41	0.0	-20.07	356.67	0.47	-19.61
CCCC(NC(=O)C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=NNN=N1	REAL000000002420	1	42	0.0	-10.40	384.03	5.47	-4.93
CCCC(NC(=O)CCNC(=O)C1CCCCC1)C1=NNN=N1	REAL000000002421	1	49	0.0	-18.81	384.62	3.06	-15.76
CCCC(NC(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=NNN=N1	REAL000000002422	1	39	0.0	-22.91	347.49	0.03	-22.88
CCCC(NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1=NNN=N1	REAL000000002423	1	56	0.0	-15.32	426.79	4.97	-10.35
CCCC(NC(=O)C1CCCN(C(=O)C2=CC3=CNN=C3C=C2)C1)C1=NNN=N1	REAL000000002424	1	53	0.0	-19.54	421.76	4.17	-15.37
CCCC(NC(=O)C1=C([N+](=O)[O-])C(CC)=NN1)C1=NNN=N1	REAL000000002425	1	38	0.0	-15.52	332.85	2.31	-13.22
CCCC(NC(=O)C1=CC=C(N2C=NN=C2)C=C1)C1=NNN=N1	REAL000000002426	1	39	0.0	-14.78	321.32	6.31	-8.47
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1C)C1=NNN=N1	REAL000000002427	1	38	0.0	-11.63	321.96	5.02	-6.61
CCCC(NC(=O)CCOC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000002428	1	45	0.0	-14.96	379.27	-1.39	-16.35
CCCC(NC(=O)C(C)C1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000002429	1	39	0.0	-9.96	339.73	5.55	-4.41
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C(C)=N1)C1=NNN=N1	REAL000000002430	1	44	0.0	-19.81	379.98	-1.06	-20.86
CCCC(NC(=O)CCNS(=O)(=O)C1=CN(C)C(C)=N1)C1=NNN=N1	REAL000000002431	1	47	0.0	-25.34	402.04	-0.43	-25.77
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)C1=NNN=N1	REAL000000002432	1	50	0.0	-17.26	395.70	5.09	-12.17
CCCC(NC(=O)CCCC(=O)N(CC)CC)C1=NNN=N1	REAL000000002433	1	48	0.0	-20.29	383.01	4.34	-15.95
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CCOC)C=C1)C1=NNN=N1	REAL000000002434	1	46	0.0	-14.35	386.32	0.83	-13.52
CCCC(NC(=O)CNC(=O)CC1CCCC1)C1=NNN=N1	REAL000000002435	1	46	0.0	-11.06	364.51	2.48	-8.58
CCCC(NC(=O)C1CCN(C(=O)OCC(C)C)CC1)C1=NNN=N1	REAL000000002436	1	53	0.0	-15.60	414.81	4.98	-10.62
CCCC(NC(=O)CCN(CC1=CC=CC=C1)C(C)=O)C1=NNN=N1	REAL000000002437	1	49	0.0	-12.68	391.28	5.35	-7.33
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)=O)C1)C1=NNN=N1	REAL000000002438	1	47	0.0	-13.71	383.74	4.49	-9.22
CCCC(NC(=O)C1=CN(C2=CC=CC(C)=C2)N=N1)C1=NNN=N1	REAL000000002439	1	42	0.0	-11.60	356.48	4.01	-7.59
CCCC(NC(=O)C1=CC(F)=CC=C1I)C1=NNN=N1	REAL000000002440	1	33	0.0	-6.35	298.70	4.47	-1.87
CCCC(NC(=O)C1=CSC(C2=C(F)C=CC=C2F)=N1)C1=NNN=N1	REAL000000002441	1	39	0.0	-12.59	353.15	4.70	-7.90
CCCC(NC(=O)C1=C2C=NN(C(C)CC)C2=NC(C)=C1)C1=NNN=N1	REAL000000002443	1	50	0.0	-14.53	402.23	5.56	-8.96
CCCC(NC(=O)CC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000002444	1	36	0.0	-12.08	323.65	4.95	-7.14
CCCC(NC(=O)CC1=C(C)OC(C2=CC=CO2)=N1)C1=NNN=N1	REAL000000002445	1	42	0.0	-18.62	361.13	1.43	-17.19
CCCC(NC(=O)CCC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000002446	1	39	0.0	-11.09	355.67	6.11	-4.98
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000002447	1	46	0.0	-11.58	386.60	4.36	-7.23
CCCC(NC(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=NNN=N1	REAL000000002448	1	37	0.0	-16.05	336.37	1.93	-14.12
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(C)C)C(C)=N1)C1=NNN=N1	REAL000000002449	1	51	0.0	-15.79	412.48	7.43	-8.36
CCCC(NC(=O)C1=CC(Br)=CN1CC)C1=NNN=N1	REAL000000002450	1	37	0.0	-9.31	326.18	4.59	-4.72
CCCC(NC(=O)C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)C1=NNN=N1	REAL000000002451	1	47	0.0	-12.55	396.18	5.70	-6.85
CCCC(NC(=O)CNC(=O)CCC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000002452	1	49	0.0	-11.96	404.13	4.30	-7.66
CCCC(NC(=O)C(C)N1C(=O)NC2(CCCC2)C1=O)C1=NNN=N1	REAL000000002453	1	48	0.0	-16.05	381.74	2.53	-13.52
CCCC(NC(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002454	1	43	0.0	-11.23	357.36	3.69	-7.54
CCCC(NC(=O)C1=CSC(C2=CC=C(OC(C)C)C=C2)=N1)C1=NNN=N1	REAL000000002455	1	49	0.0	-10.61	414.18	5.34	-5.28
CCCC(NC(=O)CC1=C(C)OC(C2=CSC=C2)=N1)C1=NNN=N1	REAL000000002456	1	42	0.0	-14.14	361.74	1.98	-12.16
CCCC(NC(=O)CCC1=CC=CC(F)=C1F)C1=NNN=N1	REAL000000002457	1	39	0.0	-14.10	335.50	5.23	-8.86
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1=NNN=N1	REAL000000002458	1	44	0.0	-12.06	383.09	7.02	-5.04
CCCC(NC(=O)CCN1N=C(C)C([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000002459	1	44	0.0	-14.14	377.20	4.14	-10.00
CCCC(NC(=O)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1)C1=NNN=N1	REAL000000002460	1	43	0.0	-12.36	362.31	5.12	-7.24
CCCC(NC(=O)CCCCC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000002461	1	57	0.0	-10.54	442.95	9.03	-1.51
CCCCCCCCCC=CC(=O)NC(CCC)C1=NNN=N1	REAL000000002462	1	54	0.0	-9.57	427.50	8.21	-1.36
CCCC(NC(=O)C1=CSC(C(C)(C)C)=N1)C1=NNN=N1	REAL000000002463	1	41	0.0	-7.71	339.82	2.88	-4.83
CCCC(NC(=O)C1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=NNN=N1	REAL000000002464	1	42	0.0	-11.60	371.03	3.13	-8.47
CCCC(NC(=O)C1=CC=C(N2CCCC2)N=N1)C1=NNN=N1	REAL000000002465	1	43	0.0	-8.87	341.89	1.97	-6.90
CCCC(NC(=O)C1CC(=O)N(CC2=CC=C(OC)C=C2)C1)C1=NNN=N1	REAL000000002466	1	51	0.0	-16.24	416.14	4.54	-11.70
CCCC(NC(=O)CNC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000002467	1	38	0.0	-11.45	331.97	3.15	-8.30
CCCC(NC(=O)C(C)NC(=O)C1=C2C=CC=CC2=NN1)C1=NNN=N1	REAL000000002468	1	46	0.0	-13.89	383.31	1.69	-12.20
CCCC(NC(=O)CCSCC(=O)OC)C1=NNN=N1	REAL000000002469	1	39	0.0	-13.15	342.33	3.50	-9.65
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)NCC#N)=C1)C1=NNN=N1	REAL000000002470	1	45	0.0	-18.12	382.15	0.99	-17.14
CCCC(NC(=O)CCNC(=O)C1=C2C=CC=CC2=NN1)C1=NNN=N1	REAL000000002471	1	46	0.0	-21.69	385.89	1.47	-20.22
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000002472	1	38	0.0	-12.09	358.23	-0.67	-12.76
CCCC(NC(=O)C(C)NC(=O)CC1CCCCC1)C1=NNN=N1	REAL000000002473	1	52	0.0	-11.38	400.73	3.97	-7.41
CCCC(NC(=O)CNC(=O)CCC1CCCC1)C1=NNN=N1	REAL000000002474	1	49	0.0	-9.19	379.85	2.92	-6.27
CCCC(NC(=O)C1=CN(C2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000002475	1	43	0.0	-11.13	349.61	5.07	-6.05
CCCC(NC(=O)CSC1=NC=CN1C(C)(C)C)C1=NNN=N1	REAL000000002476	1	46	0.0	-12.28	377.01	4.94	-7.34
CCCC(NC(=O)C1=C(CS(C)(=O)=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000002477	1	45	0.0	-18.99	389.18	2.44	-16.55
CCCC(NC(=O)[C@@H]1CC2=CC=CC=C2N1C(C)=O)C1=NNN=N1	REAL000000002478	1	44	0.0	-20.22	356.24	4.54	-15.67
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)C1=NNN=N1	REAL000000002479	1	46	0.0	-16.02	384.82	6.63	-9.39
CCCC(NC(=O)CC1=CSC(C(C)(C)C)=N1)C1=NNN=N1	REAL000000002480	1	44	0.0	-12.29	369.10	3.83	-8.46
CCCC(NC(=O)CC(C)C1=CC=CC=C1F)C1=NNN=N1	REAL000000002481	1	42	0.0	-13.01	342.23	5.60	-7.41
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1C(C)(C)C2)C1=NNN=N1	REAL000000002482	1	50	0.0	-10.55	406.92	8.32	-2.23
CCCC(NC(=O)C1CCC(NC(=O)COCCOC)CC1)C1=NNN=N1	REAL000000002483	1	57	0.0	-23.22	451.95	2.66	-20.56
CCCC(NC(=O)C(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000002484	1	35	0.0	-6.99	314.98	4.00	-2.99
CCCC(NC(=O)C1=CN=C(CC2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000002485	1	42	0.0	-13.15	374.64	5.35	-7.80
CCCC(NC(=O)CN1C2=CC=CC=C2CCCC1=O)C1=NNN=N1	REAL000000002486	1	47	0.0	-11.93	362.55	5.17	-6.76
CCCC(NC(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=NNN=N1	REAL000000002487	1	38	0.0	-17.54	334.73	3.58	-13.96
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C1CCCC1)C1=NNN=N1	REAL000000002488	1	48	0.0	-12.74	387.81	5.75	-6.99
CCCC1=NC(C(=O)NC(CCC)C2=NNN=N2)=NN1C1=CC=CC=C1Cl	REAL000000002489	1	48	0.0	-17.29	411.58	7.20	-10.09
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1)C1=NNN=N1	REAL000000002490	1	46	0.0	-17.60	401.31	7.36	-10.25
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)O1)C1=NNN=N1	REAL000000002491	1	40	0.0	-11.34	356.13	3.68	-7.67
CCCC(NC(=O)C1=CC=C(CN2C=C(Br)C=N2)O1)C1=NNN=N1	REAL000000002492	1	40	0.0	-11.27	360.76	3.78	-7.49
CCCC(NC(=O)C1=CN=C2SN=C(C)C2=C1)C1=NNN=N1	REAL000000002493	1	37	0.0	-12.43	324.92	2.50	-9.93
CCCC(NC(=O)C1=CC(Br)=C2OCCOC2=C1)C1=NNN=N1	REAL000000002494	1	39	0.0	-9.10	335.31	3.16	-5.94
CCCC(NC(=O)CNC(=O)CC1CCCCC1)C1=NNN=N1	REAL000000002495	1	49	0.0	-8.87	373.97	2.79	-6.08
CCCC(NC(=O)C1=CC(C)=C(C2=CC=CC(Cl)=C2)S1)C1=NNN=N1	REAL000000002496	1	43	0.0	-7.96	378.59	7.17	-0.78
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000002497	1	43	0.0	-9.93	364.73	6.44	-3.49
CCCC(NC(=O)CC1=CC=CC=C1OC(C)C)C1=NNN=N1	REAL000000002498	1	46	0.0	-12.47	370.47	5.27	-7.21
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=NNN=N1	REAL000000002499	1	38	0.0	-13.60	328.30	4.21	-9.39
CCCC(NC(=O)CC1=CN2C=CC=C(C)C2=N1)C1=NNN=N1	REAL000000002500	1	42	0.0	-20.77	349.91	5.55	-15.22
CCCC(NC(=O)CC1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=NNN=N1	REAL000000002501	1	39	0.0	-19.43	361.95	5.91	-13.52
CCCC(NC(=O)C1=CC(C)=NC2=NNC(C)=C21)C1=NNN=N1	REAL000000002502	1	41	0.0	-13.73	327.16	2.53	-11.21
CCCC(NC(=O)CSC1=NN=C(C2=CC=CS2)N1C)C1=NNN=N1	REAL000000002503	1	43	0.0	-15.04	386.71	5.73	-9.31
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C1=NNN=N1	REAL000000002504	1	46	0.0	-15.29	384.49	8.28	-7.01
CCCC(NC(=O)CCCCCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002505	1	52	0.0	-10.40	410.59	6.46	-3.94
CCCC(NC(=O)C1=CC=C(SCC)N=C1)C1=NNN=N1	REAL000000002506	1	39	0.0	-10.10	336.92	3.97	-6.13
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000002507	1	43	0.0	-13.71	341.24	3.18	-10.53
CCCC(NC(=O)C1CCOC2=CC=CC=C21)C1=NNN=N1	REAL000000002508	1	41	0.0	-9.19	321.02	4.05	-5.14
CCCC(NC(=O)CCC1=NC(C2=NC=CC=N2)=NO1)C1=NNN=N1	REAL000000002509	1	42	0.0	-19.33	365.36	1.03	-18.31
CCCC(NC(=O)CCC1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000002510	1	43	0.0	-10.50	369.75	4.92	-5.59
CCCC(NC(=O)C1=CC=C(OCC2CC2)N=C1)C1=NNN=N1	REAL000000002511	1	43	0.0	-10.45	358.37	2.92	-7.53
CCCC(NC(=O)C(C)C1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000002512	1	45	0.0	-11.13	361.18	6.31	-4.82
CCCC(NC(=O)CCC1=CC=CC(OC2CCCC2)=C1)C1=NNN=N1	REAL000000002513	1	53	0.0	-11.60	417.85	7.33	-4.27
CCCC(NC(=O)COC1=CC=CC=C1OCC(F)(F)F)C1=NNN=N1	REAL000000002514	1	44	0.0	-19.71	381.95	5.36	-14.35
CCCC(NC(=O)C1=CC=C(CNC(=O)C2CCCC2)C=C1)C1=NNN=N1	REAL000000002515	1	53	0.0	-15.25	423.25	5.37	-9.88
CCCCCS(=O)(=O)CC(=O)NC(CCC)C1=NNN=N1	REAL000000002516	1	44	0.0	-25.24	369.83	1.62	-23.62
CCCC(NC(=O)C(C)OC1=CC=CC=C1CC1=CC=CC=C1)C1=NNN=N1	REAL000000002517	1	53	0.0	-14.18	427.29	9.33	-4.85
CCCC(NC(=O)CC(C)NC(=O)C1CCCCC1)C1=NNN=N1	REAL000000002518	1	52	0.0	-16.34	403.98	4.20	-12.14
CCCC(NC(=O)CCC1=CC=CC=C1OC(F)(F)F)C1=NNN=N1	REAL000000002519	1	43	0.0	-11.58	368.57	4.98	-6.59
CCCC(NC(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=NNN=N1	REAL000000002520	1	38	0.0	-12.34	340.89	2.85	-9.49
CCCC(NC(=O)C=CC1=CC=CC(OC(C)C)=C1)C1=NNN=N1	REAL000000002521	1	47	0.0	-12.67	381.51	5.71	-6.96
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2C)=N1)C1=NNN=N1	REAL000000002522	1	42	0.0	-9.47	351.34	4.34	-5.13
CCCC(NC(=O)C1=CSC(C2=CC=CC=C2Cl)=N1)C1=NNN=N1	REAL000000002523	1	39	0.0	-10.87	355.32	4.75	-6.12
CCCC(NC(=O)CCCC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000002524	1	54	0.0	-8.73	414.27	7.92	-0.81
CCCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002525	1	46	0.0	-8.34	359.12	1.03	-7.30
CCCC(NC(=O)C(C)OC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000002526	1	40	0.0	-12.25	361.37	5.88	-6.37
CCCC(NC(=O)C1=CC=C(Br)C=N1)C1=NNN=N1	REAL000000002527	1	32	0.0	-8.28	296.27	2.54	-5.74
CCCC(NC(=O)CC1CC(C)CC(C)(C)C1)C1=NNN=N1	REAL000000002528	1	51	0.0	-9.03	377.01	6.12	-2.91
CCCC(NC(=O)CC1=CC=C(OC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002529	1	42	0.0	-21.14	357.88	5.09	-16.05
CCCC(NC(=O)CC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000002530	1	41	0.0	-19.97	356.53	-0.72	-20.69
CCCC(NC(=O)C1NC2=CC=CC=C2S(=O)(=O)N1)C1=NNN=N1	REAL000000002531	1	41	0.0	-20.07	348.78	-2.17	-22.24
CCCC(NC(=O)C1CC(C(=O)OCC)=NN1C1=CC=CC=C1)C1=NNN=N1	REAL000000002532	1	51	0.0	-14.88	423.41	5.64	-9.24
CCCC(NC(=O)C(=O)NCCCC1=CC=CC=C1)C1=NNN=N1	REAL000000002533	1	46	0.0	-8.30	376.84	3.24	-5.07
CCCC(NC(=O)CCC(=O)N(CCC)CCC)C1=NNN=N1	REAL000000002534	1	51	0.0	-9.13	397.34	4.76	-4.37
CCCC(NC(=O)C1=C(C)N=C(C2=NNC=N2)S1)C1=NNN=N1	REAL000000002535	1	38	0.0	-16.59	338.59	2.27	-14.33
CCCC(NC(=O)CNC1=CC=CC=C1OC)C1=NNN=N1	REAL000000002536	1	42	0.0	-9.76	336.45	1.73	-8.03
CCCC(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NNN=N1	REAL000000002537	1	45	0.0	-15.55	358.60	-0.66	-16.21
CCCC(NC(=O)CNC(=O)NCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000002538	1	45	0.0	-12.32	394.00	2.04	-10.28
CCCC(NC(=O)C=C(C)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000002539	1	40	0.0	-9.45	347.38	6.08	-3.37
CCCC(NC(=O)C1=CC=C(COC2=CC=C(C#N)C=C2)O1)C1=NNN=N1	REAL000000002540	1	45	0.0	-15.19	394.56	5.50	-9.69
CCCC(NC(=O)C1=CC=C(C)C(I)=C1)C1=NNN=N1	REAL000000002541	1	36	0.0	-9.07	323.03	5.29	-3.77
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC)C1=NNN=N1	REAL000000002542	1	44	0.0	-10.63	361.31	5.02	-5.61
CCCC(NC(=O)CC(C)NC(=O)C1CCCC1)C1=NNN=N1	REAL000000002543	1	49	0.0	-18.12	385.85	3.54	-14.59
CCCC(NC(=O)C(C)SC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000002544	1	41	0.0	-12.58	360.31	5.65	-6.93
CCCC(NC(=O)C1=C(C)N=C(CC(C)C)S1)C1=NNN=N1	REAL000000002545	1	44	0.0	-9.83	364.99	4.35	-5.48
CCCC(NC(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000002546	1	49	0.0	-7.20	363.02	6.80	-0.39
CCCC(NC(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=NNN=N1	REAL000000002547	1	40	0.0	-13.56	350.98	4.90	-8.66
CCCC(NC(=O)C(C)OC1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000002548	1	43	0.0	-17.89	365.38	5.91	-11.98
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)N=C1)C1=NNN=N1	REAL000000002549	1	50	0.0	-10.29	389.12	4.96	-5.33
CCCC(NC(=O)C1=CC=C(N2CCCC2)N=C1)C1=NNN=N1	REAL000000002550	1	44	0.0	-10.77	351.48	3.59	-7.18
CCCC(NC(=O)C(C)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000002551	1	45	0.0	-14.01	362.76	4.04	-9.97
CCCC(NC(=O)CSCC1CCCCO1)C1=NNN=N1	REAL000000002552	1	44	0.0	-13.75	361.57	3.84	-9.90
CCCC(NC(=O)CC(NC(C)=O)C1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000002553	1	46	0.0	-11.57	379.20	4.15	-7.42
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1)C1=NNN=N1	REAL000000002554	1	47	0.0	-13.19	386.92	1.74	-11.45
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C#N)C=C2)C(C)=C1)C1=NNN=N1	REAL000000002555	1	48	0.0	-13.67	405.25	8.00	-5.67
CCCC(NC(=O)COCC(=O)NCC1=CC=CN=C1)C1=NNN=N1	REAL000000002557	1	46	0.0	-24.97	391.81	2.14	-22.83
CCCC(NC(=O)C1=CC=CC(CN2CCOCC2)=C1)C1=NNN=N1	REAL000000002558	1	49	0.0	-12.66	385.71	2.57	-10.09
CCCC(NC(=O)CCC[NH+](CCC)CCC)C1=NN=N[N-]1	REAL000000002559	0	52	0.0	-60.80	392.64	5.99	-54.80
CCCC(NC(=O)CCC[NH+](CCC)CCC)C1=N[N-]N=N1	REAL000000002559	1	52	0.0	-60.79	392.58	6.00	-54.79
CCCC(NC(=O)CC1=CSC(C2=NNC=N2)=N1)C1=NNN=N1	REAL000000002560	1	38	0.0	-24.03	342.83	2.40	-21.63
CCCC(NC(=O)C1=CC=C(OCC(=O)OC)C(OCC)=C1)C1=NNN=N1	REAL000000002561	1	50	0.0	-20.68	414.56	5.29	-15.39
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(C#N)C=C2)=C1)C1=NNN=N1	REAL000000002562	1	45	0.0	-15.33	387.28	6.89	-8.43
CCCC(NC(=O)CCCC(=O)N(CCC)CCC)C1=NNN=N1	REAL000000002563	1	54	0.0	-16.28	418.83	5.54	-10.73
CCCC(NC(=O)C1=CC=CC(NC(=O)OC)=C1)C1=NNN=N1	REAL000000002564	1	41	0.0	-19.44	344.93	1.90	-17.54
CCCC(NC(=O)CCC(=O)NC1=NN=C(C2CC2)O1)C1=NNN=N1	REAL000000002565	1	45	0.0	-18.63	382.62	-1.00	-19.62
CCCC(NC(=O)C1=CC=C(CSC2=NNC=N2)C=C1)C1=NNN=N1	REAL000000002566	1	43	0.0	-14.50	370.31	5.41	-9.10
CCCC(NC(=O)CC(C)C1=CC=CC=C1OC)C1=NNN=N1	REAL000000002567	1	46	0.0	-12.49	365.09	4.98	-7.52
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NC(CCC)C1=NNN=N1	REAL000000002568	1	50	0.0	-14.85	413.75	6.06	-8.79
CCCC(NC(=O)C1=CN=C(C2=CC=C3OCOC3=C2)S1)C1=NNN=N1	REAL000000002569	1	42	0.0	-14.39	370.55	3.23	-11.16
CCCC(NC(=O)CCC(=O)N(CCC#N)C1=CC=CC=C1)C1=NNN=N1	REAL000000002570	1	50	0.0	-16.51	419.76	6.48	-10.04
CCCC(NC(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=NNN=N1	REAL000000002571	1	42	0.0	-9.88	353.03	5.76	-4.12
CCCC(NC(=O)CC(NC(C)=O)C1=CC=CC=C1OCC)C1=NNN=N1	REAL000000002572	1	53	0.0	-11.84	421.78	3.72	-8.12
CCCC(NC(=O)C1=NN(C2=C(Cl)C=CC=C2Cl)C(C)=N1)C1=NNN=N1	REAL000000002573	1	42	0.0	-16.96	382.54	6.08	-10.88
CCCC(NC(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=NNN=N1	REAL000000002574	1	37	0.0	-13.72	335.32	0.73	-12.99
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002575	1	47	0.0	-18.37	394.04	5.78	-12.58
CCCC(NC(=O)CC(C1=CC=CC=C1)N1CCOC1=O)C1=NNN=N1	REAL000000002576	1	48	0.0	-12.64	378.65	5.19	-7.45
CCCC(NC(=O)C1=CC=CC=C1COC1=CC=CC(C=O)=C1)C1=NNN=N1	REAL000000002577	1	49	0.0	-16.68	405.07	6.80	-9.88
CCCC(NC(=O)C1=CC(Cl)=NC(NC)=C1)C1=NNN=N1	REAL000000002579	1	37	0.0	-10.44	324.79	1.97	-8.47
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)=C1)C1=NNN=N1	REAL000000002580	1	44	0.0	-12.35	365.16	1.04	-11.31
CCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002581	0	57	0.0	-51.11	432.76	8.54	-42.57
CCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002581	1	57	0.0	-51.09	432.70	8.53	-42.56
CCCC(NC(=O)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21)C1=NNN=N1	REAL000000002582	1	41	0.0	-17.24	352.55	3.39	-13.85
CCCC(NC(=O)C1=C(C)N(C2=C3N=CC=CC3=CC=C2)N=N1)C1=NNN=N1	REAL000000002583	1	47	0.0	-18.17	392.89	4.45	-13.72
CCCC(NC(=O)C1=C(C)N(C2=CC=C3OCCOC3=C2)N=N1)C1=NNN=N1	REAL000000002584	1	48	0.0	-13.71	396.12	3.00	-10.71
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)C1=NNN=N1	REAL000000002585	1	43	0.0	-12.37	381.07	4.53	-7.84
CCCC(NC(=O)C1=CC2=C(CCCC2)NC1=O)C1=NNN=N1	REAL000000002586	1	43	0.0	-14.46	342.83	3.29	-11.17
CCCC(NC(=O)CC1=COC(C2=CC=CS2)=N1)C1=NNN=N1	REAL000000002587	1	39	0.0	-14.95	342.03	1.55	-13.40
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1Cl)C1=NNN=N1	REAL000000002588	1	43	0.0	-11.85	364.40	7.62	-4.24
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2=O)NC1=O)C1=NNN=N1	REAL000000002589	1	48	0.0	-19.12	375.64	3.00	-16.11
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1CCCCC1)C1=NNN=N1	REAL000000002590	1	57	0.0	-9.80	438.46	8.23	-1.58
CCCC(NC(=O)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=NNN=N1	REAL000000002591	1	41	0.0	-18.14	363.29	4.02	-14.13
CCCC(NC(=O)CC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=NNN=N1	REAL000000002592	1	48	0.0	-16.93	381.79	2.33	-14.60
CCCC(NC(=O)CCCCCC1=CC=CS1)C1=NNN=N1	REAL000000002593	1	45	0.0	-11.72	378.48	6.57	-5.15
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002594	1	35	0.0	-12.64	312.33	4.40	-8.25
CCCC(NC(=O)CC1=CSC(C2=CC=C(CC)C=C2)=N1)C1=NNN=N1	REAL000000002595	1	48	0.0	-16.08	408.89	6.73	-9.35
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=NNN=N1	REAL000000002596	1	53	0.0	-14.75	435.04	8.28	-6.47
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC=C2C)=C1)C1=NNN=N1	REAL000000002597	1	53	0.0	-13.94	429.80	8.31	-5.63
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000002598	1	50	0.0	-13.44	430.37	8.11	-5.33
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C1=NNN=N1	REAL000000002599	1	50	0.0	-13.46	426.79	8.20	-5.26
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2)C=C1F)C1=NNN=N1	REAL000000002600	1	43	0.0	-15.99	362.75	7.24	-8.75
CCCC(NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002601	1	49	0.0	-9.96	379.95	1.91	-8.05
CCCC(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002602	1	52	0.0	-7.62	394.27	2.33	-5.28
CCCC(NC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000002603	1	56	0.0	-14.86	429.16	3.73	-11.13
CCCC(NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)C1=NNN=N1	REAL000000002604	1	55	0.0	-10.50	416.64	4.99	-5.51
CCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000002605	1	52	0.0	-9.83	401.44	2.67	-7.16
CCCC(NC(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=NNN=N1	REAL000000002606	1	39	0.0	-18.31	338.26	3.38	-14.93
CCCC(NC(=O)CN(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002607	1	46	0.0	-12.82	360.30	3.03	-9.79
CCCC(NC(=O)C1=CC=C(C(=O)NC)N=C1)C1=NNN=N1	REAL000000002608	1	39	0.0	-10.75	324.40	-0.11	-10.86
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCC)C1=NNN=N1	REAL000000002609	1	47	0.0	-15.14	392.25	5.26	-9.88
CCCC(NC(=O)C1=CC=CC(C(=O)N(CCC)CCC)=C1)C1=NNN=N1	REAL000000002610	1	55	0.0	-11.23	424.81	6.58	-4.65
CCCC(NC(=O)COC1=CC=CC=C1C=O)C1=NNN=N1	REAL000000002611	1	39	0.0	-21.74	332.39	4.97	-16.77
CCCC(NC(=O)COC1=CC=C(C=O)C=C1)C1=NNN=N1	REAL000000002612	1	39	0.0	-17.06	334.38	3.97	-13.09
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=CC1=O)C1=NNN=N1	REAL000000002613	1	42	0.0	-18.51	353.69	5.64	-12.87
CCCC(NC(=O)CCC1=CC=C(C(=O)OC)C=C1)C1=NNN=N1	REAL000000002614	1	45	0.0	-14.04	378.56	5.78	-8.27
CCCC(NC(=O)CC1OCCC2=C1SC=C2)C1=NNN=N1	REAL000000002615	1	41	0.0	-11.32	344.07	4.32	-7.01
CCCC(NC(=O)C1=C2C(C(C)C)=NOC2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000002616	1	50	0.0	-13.59	407.64	3.77	-9.82
CCCC(NC(=O)CC(C1=CC=CC=C1)C(C)C)C1=NNN=N1	REAL000000002617	1	48	0.0	-10.10	366.31	6.41	-3.69
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)=C(C)N2CCOC)C1=NNN=N1	REAL000000002618	1	53	0.0	-13.80	425.41	6.44	-7.35
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)C)=C1)C1=NNN=N1	REAL000000002619	1	43	0.0	-21.79	350.29	3.50	-18.30
CCCC(NC(=O)C1=CC2=C(CCOC2)S1)C1=NNN=N1	REAL000000002620	1	38	0.0	-11.06	324.46	2.89	-8.17
CCCC(NC(=O)CSC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000002621	1	38	0.0	-15.01	341.71	5.19	-9.82
CCCC(NC(=O)CCOC1=CC=C(C=O)C=C1)C1=NNN=N1	REAL000000002622	1	42	0.0	-11.85	348.16	3.39	-8.47
CCCC(NC(=O)CCOC1=CC=CC(C=O)=C1)C1=NNN=N1	REAL000000002623	1	42	0.0	-15.59	355.48	3.71	-11.89
CCCC(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=NN=N[N-]1	REAL000000002625	0	48	0.0	-63.19	381.34	3.54	-59.65
CCCC(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=N[N-]N=N1	REAL000000002625	1	48	0.0	-63.20	381.28	3.54	-59.65
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C(C)=C1)C1=NNN=N1	REAL000000002626	1	41	0.0	-16.36	347.29	-0.63	-16.98
CCCC(NC(=O)C(C)N1CCN(C2=CC=C(F)C=C2)CC1)C1=NNN=N1	REAL000000002627	1	53	0.0	-11.34	404.78	3.06	-8.27
CCCC(NC(=O)CSC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000002628	1	41	0.0	-14.78	350.37	4.11	-10.67
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@@H+]2CC)C1)C1=NN=N[N-]1	REAL000000002629	0	55	0.0	-63.69	416.11	4.88	-58.81
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@H+]2CC)C1)C1=NN=N[N-]1	REAL000000002629	1	55	0.0	-56.95	414.15	5.75	-51.21
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@@H+]2CC)C1)C1=N[N-]N=N1	REAL000000002629	1	55	0.0	-63.69	416.05	4.87	-58.82
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@H+]2CC)C1)C1=N[N-]N=N1	REAL000000002629	1	55	0.0	-56.94	414.09	5.74	-51.20
CCCC(NC(=O)CS(=O)(=O)N(CC)CC)C1=NNN=N1	REAL000000002630	1	43	0.0	-21.18	359.16	0.39	-20.79
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CC=C1F)C1=NNN=N1	REAL000000002631	1	42	0.0	-19.33	364.40	2.17	-17.16
CCCC(NC(=O)CSC1=NN=NN1CC(F)(F)F)C1=NNN=N1	REAL000000002632	1	38	0.0	-14.47	356.25	2.17	-12.30
CCCC(NC(=O)C1=C(Br)C(C(C)C)=NN1)C1=NNN=N1	REAL000000002633	1	39	0.0	-10.63	341.58	2.64	-8.00
CCCC(NC(=O)CCC(=O)NCCNC(C)=O)C1=NNN=N1	REAL000000002634	1	46	0.0	-15.17	377.07	-1.48	-16.65
CCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002635	0	56	0.0	-65.56	428.84	6.21	-59.35
CCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002635	1	56	0.0	-65.54	428.79	6.20	-59.34
CCCC(NC(=O)CCC1=NC2=CC=CN=C2N1)C1=NNN=N1	REAL000000002636	1	41	0.0	-14.41	344.83	3.09	-11.31
CCCC(NC(=O)CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002637	1	42	0.0	-16.71	373.83	3.02	-13.68
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C)=N1)C1=NNN=N1	REAL000000002638	1	42	0.0	-16.48	352.91	5.16	-11.32
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CC=C1Cl)C1=NNN=N1	REAL000000002639	1	42	0.0	-17.58	372.38	2.61	-14.98
CCCC(NC(=O)CCCOC1=CC=C(CCOC)C=C1)C1=NNN=N1	REAL000000002640	1	53	0.0	-14.46	430.29	5.24	-9.22
CCCC(NC(=O)CN1CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000002641	1	41	0.0	-21.94	346.16	4.14	-17.79
CCCC(NC(=O)CNC(=O)OCC(F)(F)F)C1=NNN=N1	REAL000000002642	1	37	0.0	-11.63	333.29	-0.19	-11.81
CCCC(NC(=O)CC1=CNC2=C(CC)C=CC=C12)C1=NNN=N1	REAL000000002643	1	46	0.0	-14.79	377.18	5.81	-8.98
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(C=O)=C2)=C1)C1=NNN=N1	REAL000000002644	1	49	0.0	-19.74	412.27	6.65	-13.09
CCCC(NC(=O)C1=C(C)C=C(COC2=CC=C(C=O)C=C2)O1)C1=NNN=N1	REAL000000002645	1	49	0.0	-14.67	407.54	5.20	-9.47
CCCC(NC(=O)C1=C(COC2=CC=C(C=O)C=C2)OC=C1)C1=NNN=N1	REAL000000002646	1	46	0.0	-14.95	385.19	4.46	-10.49
CCCC(NC(=O)COC1=CC([N+](=O)[O-])=C(C=O)C=C1OC)C1=NNN=N1	REAL000000002647	1	45	0.0	-24.24	388.26	5.49	-18.75
CCCC(NC(=O)COC1=CC=C(C=O)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002648	1	41	0.0	-24.32	360.31	5.12	-19.20
CCCC(NC(=O)C(F)(F)OC1=CC=C(C=O)C=C1)C1=NNN=N1	REAL000000002649	1	39	0.0	-12.19	336.45	3.66	-8.53
CCCC(NC(=O)C1=CN(CC2=CC=C(OC)C=C2)N=C1)C1=NNN=N1	REAL000000002650	1	47	0.0	-11.96	386.50	4.23	-7.73
CCCC(NC(=O)C1=CC=CC2=C1OC(C)C(=O)N2)C1=NNN=N1	REAL000000002651	1	42	0.0	-16.71	346.70	2.80	-13.91
CCCC(NC(=O)CC1=C(C)NC2=CC=NN2C1=O)C1=NNN=N1	REAL000000002652	1	42	0.0	-32.09	350.56	2.56	-29.53
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2C)C2=C1CCC2)C1=NNN=N1	REAL000000002653	1	53	0.0	-13.34	419.52	8.15	-5.19
CCCC(NC(=O)C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000002654	1	47	0.0	-14.68	405.71	7.45	-7.23
CCCC(NC(=O)C1=C(C)N(CC2CC2)C(C)=C1)C1=NNN=N1	REAL000000002655	1	47	0.0	-11.13	376.12	6.67	-4.46
CCCC(NC(=O)C1=CC=C(C2=NOC=N2)C=C1)C1=NNN=N1	REAL000000002656	1	38	0.0	-15.51	327.95	2.24	-13.28
CCCC(NC(=O)CC1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000002657	1	39	0.0	-11.02	331.42	5.00	-6.02
CCCC(NC(=O)CCCC1=CC=C2NC(=O)CC2=C1)C1=NNN=N1	REAL000000002658	1	47	0.0	-16.44	387.33	4.37	-12.07
CCCC(NC(=O)CC1=COC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000002659	1	42	0.0	-16.01	374.93	3.44	-12.57
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1)C1=NNN=N1	REAL000000002660	1	44	0.0	-13.03	387.02	5.91	-7.11
CCCC(NC(=O)CC(CC)C1=CC=CC=C1)C1=NNN=N1	REAL000000002661	1	45	0.0	-10.93	357.78	6.18	-4.75
CCCC(NC(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=NNN=N1	REAL000000002662	1	45	0.0	-10.26	357.93	4.07	-6.19
CCCC(NC(=O)C1=CC=C(N2CCOCC2)C(F)=C1)C1=NNN=N1	REAL000000002663	1	46	0.0	-9.41	364.34	2.50	-6.92
CCCC(NC(=O)CCCC1=CC=C2NC(=O)NC2=C1)C1=NNN=N1	REAL000000002664	1	46	0.0	-18.28	381.04	2.73	-15.55
CCCC(NC(=O)COC1=CC=CC=C1OCC1=CC=CC=C1)C1=NNN=N1	REAL000000002665	1	51	0.0	-15.41	415.09	7.53	-7.88
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2F)C2=C1CCC2)C1=NNN=N1	REAL000000002666	1	50	0.0	-16.67	407.78	7.37	-9.30
CCCC(NC(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C1=NNN=N1	REAL000000002667	1	49	0.0	-16.98	388.70	5.40	-11.58
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C1=NNN=N1	REAL000000002668	1	46	0.0	-18.08	362.65	4.16	-13.92
CCCC(NC(=O)C1=CC=C(C(=O)N(CC)CCC)C=C1)C1=NNN=N1	REAL000000002669	1	52	0.0	-16.93	410.20	6.17	-10.76
CCCC(NC(=O)CC(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002670	1	45	0.0	-19.63	380.23	3.95	-15.68
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC)C=C2F)C=C1F)C1=NNN=N1	REAL000000002671	1	47	0.0	-17.89	397.05	6.69	-11.19
CCCC(NC(=O)C(C)CC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000002672	1	42	0.0	-9.99	363.11	6.34	-3.65
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1)C1=NNN=N1	REAL000000002673	1	40	0.0	-13.01	371.01	5.80	-7.21
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002675	1	50	0.0	-22.75	400.03	6.67	-16.08
CCCC(NC(=O)CNC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002676	1	41	0.0	-12.40	354.29	3.65	-8.75
CCCC(NC(=O)CC1=CC=CC(OC(F)F)=C1)C1=NNN=N1	REAL000000002677	1	40	0.0	-12.11	334.43	3.58	-8.53
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)C(C)=C2)C=C1F)C1=NNN=N1	REAL000000002678	1	49	0.0	-15.14	394.73	8.37	-6.77
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1OCCOC)C1=NNN=N1	REAL000000002679	1	51	0.0	-15.23	418.70	4.28	-10.95
CCCC(NC(=O)C1CCN(C2=CC=C3OCCOC3=C2)C1=O)C1=NNN=N1	REAL000000002680	1	50	0.0	-19.42	399.39	3.94	-15.48
CCCC(NC(=O)C(=O)NC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002681	1	41	0.0	-10.40	344.42	1.24	-9.17
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000002682	1	50	0.0	-15.96	405.44	4.03	-11.93
CCCC(NC(=O)CNC(=O)N1CCC2=CC=CC=C2C1)C1=NNN=N1	REAL000000002683	1	49	0.0	-13.01	393.01	4.10	-8.91
CCCC(NC(=O)CCNC(=O)N1CCC2=CC=CC=C2C1)C1=NNN=N1	REAL000000002684	1	52	0.0	-20.57	415.14	4.74	-15.83
CCCC(NC(=O)C1=CC=C(OCC(F)(F)C(F)F)N=C1)C1=NNN=N1	REAL000000002685	1	42	0.0	-9.48	364.90	2.30	-7.18
CCCC(NC(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=NNN=N1	REAL000000002686	1	39	0.0	-13.54	349.35	2.36	-11.18
CCCC(NC(=O)C1CC(C2=CC(F)=CC=C2F)=NO1)C1=NNN=N1	REAL000000002687	1	41	0.0	-20.23	356.76	5.18	-15.06
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000002688	1	44	0.0	-15.32	363.44	4.67	-10.65
CCCC(NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)C1=NNN=N1	REAL000000002690	1	41	0.0	-10.84	369.56	3.38	-7.46
CCCC(NC(=O)CCC1=C(C)NC2=NN(C)C(=O)C2=C1C)C1=NNN=N1	REAL000000002691	1	51	0.0	-23.00	408.22	4.19	-18.81
CCCC(NC(=O)C1=CC2=NC(C)=CC=C2O1)C1=NNN=N1	REAL000000002692	1	38	0.0	-12.99	325.41	2.86	-10.13
CCCC(NC(=O)C1CC1C1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000002694	1	40	0.0	-7.25	345.25	6.18	-1.07
CCCC(NC(=O)C1=NN(C2=CC=CC(Br)=C2)C=C1)C1=NNN=N1	REAL000000002695	1	40	0.0	-9.09	353.23	5.11	-3.98
CCCC(NC(=O)CC1=CC=C(OCC(C)C)C=C1)C1=NNN=N1	REAL000000002696	1	49	0.0	-9.78	388.12	5.73	-4.05
CCCC(NC(=O)CC1=CC=CC(NS(C)(=O)=O)=C1)C1=NNN=N1	REAL000000002698	1	44	0.0	-19.36	375.94	1.04	-18.32
CCCC(NC(=O)C1=NN(C2=CC=C(CC)C=C2)C2=C1CCC2)C1=NNN=N1	REAL000000002699	1	53	0.0	-13.15	429.11	8.07	-5.09
CCCC(NC(=O)CC(C)CC1=CC=CC=C1OC)C1=NNN=N1	REAL000000002700	1	49	0.0	-12.27	386.82	5.70	-6.57
CCCC(NC(=O)CCC1=NC2=CC(C(F)(F)F)=CC=C2S1)C1=NNN=N1	REAL000000002701	1	44	0.0	-12.99	394.36	5.56	-7.43
CCCC(NC(=O)CCC1=NC2=CC(Cl)=CC=C2S1)C1=NNN=N1	REAL000000002702	1	41	0.0	-9.63	365.02	4.74	-4.89
CCCC(NC(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=NNN=N1	REAL000000002703	1	44	0.0	-14.04	366.32	7.20	-6.84
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)C1=NNN=N1	REAL000000002704	1	50	0.0	-14.36	430.36	8.12	-6.25
CCCC(NC(=O)C1=CN(C2=CC=CC(Br)=C2)N=C1)C1=NNN=N1	REAL000000002705	1	40	0.0	-9.36	352.80	5.09	-4.27
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1OC1CCCC1)C1=NNN=N1	REAL000000002706	1	58	0.0	-14.65	462.52	8.16	-6.49
CCCC(NC(=O)C1=CN=C(C2=CC=CO2)S1)C1=NNN=N1	REAL000000002707	1	36	0.0	-11.61	327.92	2.67	-8.93
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC#N)C1=NNN=N1	REAL000000002708	1	41	0.0	-13.95	350.23	5.81	-8.14
CCCC(NC(=O)CCOC1=CC(C)=CC(C)=C1C)C1=NNN=N1	REAL000000002709	1	49	0.0	-11.51	391.39	5.97	-5.55
CCCC(NC(=O)C1=CC=C(N2CCCCCC2)N=C1)C1=NNN=N1	REAL000000002710	1	50	0.0	-7.57	372.34	4.45	-3.12
CCCC(NC(=O)CCC1=CC(Br)=CS1)C1=NNN=N1	REAL000000002711	1	36	0.0	-9.57	335.45	4.85	-4.72
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2C#N)C=C1)C1=NNN=N1	REAL000000002712	1	45	0.0	-13.77	386.28	6.66	-7.12
CCCC(NC(=O)CC1=CC=CC=C1Br)C1=NNN=N1	REAL000000002713	1	36	0.0	-11.68	320.07	4.81	-6.86
CCCC(NC(=O)CC1=CNC2=CC=CC(C)=C12)C1=NNN=N1	REAL000000002714	1	43	0.0	-14.17	349.43	4.83	-9.34
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2C)C1=NNN=N1	REAL000000002715	1	38	0.0	-14.27	314.46	1.79	-12.48
CCCC(NC(=O)C1CC1C1=CC2=C(C=C1OCC)CC(C)O2)C1=NNN=N1	REAL000000002716	1	55	0.0	-14.03	437.32	6.58	-7.45
CCCC(NC(=O)C=C(C)CC1=CC=CC=C1OC)C1=NNN=N1	REAL000000002717	1	47	0.0	-11.67	379.88	5.84	-5.83
CCCC(NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F)C1=NNN=N1	REAL000000002718	1	43	0.0	-15.39	373.07	7.68	-7.70
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)C=C2)C=C1F)C1=NNN=N1	REAL000000002719	1	46	0.0	-15.04	377.75	7.84	-7.20
CCCC(NC(=O)C1=CC=C(C2=CC=C(OC)C=C2)C=C1F)C1=NNN=N1	REAL000000002720	1	47	0.0	-16.66	385.79	6.48	-10.18
CCCC(NC(=O)CCC1=NC(C)=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000002721	1	48	0.0	-13.29	400.43	4.23	-9.07
CCCC(NC(=O)C1=CC=CC2=C1OCC(=O)N2)C1=NNN=N1	REAL000000002722	1	39	0.0	-17.18	326.39	2.13	-15.05
CCCC(NC(=O)C1=C2C=CC=CC2=CC(Br)=C1)C1=NNN=N1	REAL000000002723	1	39	0.0	-10.06	339.69	6.49	-3.57
CCCC(NC(=O)C1=CC=C(I)C(F)=C1)C1=NNN=N1	REAL000000002724	1	33	0.0	-8.91	311.02	4.79	-4.12
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=NNN=N1	REAL000000002725	1	40	0.0	-13.07	339.36	4.83	-8.24
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2Cl)N=N1)C1=NNN=N1	REAL000000002726	1	42	0.0	-13.60	366.74	4.46	-9.14
CCCC(NC(=O)C1=C(Cl)C2=CC=C(C)C=C2S1)C1=NNN=N1	REAL000000002727	1	39	0.0	-10.75	350.88	6.22	-4.53
CCCC(NC(=O)CCC1=C(C)N(CC2=CC=C(C)C=C2)N=C1C)C1=NNN=N1	REAL000000002728	1	58	0.0	-14.77	463.97	8.30	-6.47
CCCC(NC(=O)C1=CSC(CNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000002729	1	49	0.0	-12.16	413.42	1.13	-11.03
CCCC(NC(=O)COC1=CC=CC(C=O)=C1)C1=NNN=N1	REAL000000002730	1	39	0.0	-16.87	334.53	3.95	-12.92
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C2=C1CCCC2)C1=NNN=N1	REAL000000002731	1	53	0.0	-10.43	413.88	7.43	-3.00
CCCC(NC(=O)C1=C(C)N(C2=C3C=CN=CC3=CC=C2)N=N1)C1=NNN=N1	REAL000000002732	1	47	0.0	-15.92	390.29	4.44	-11.49
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC(F)F)C=C2)N=N1)C1=NNN=N1	REAL000000002733	1	46	0.0	-13.34	390.84	3.41	-9.92
CCCC(NC(=O)C1=CC=C(OC)C=C1Cl)C1=NNN=N1	REAL000000002734	1	37	0.0	-9.37	312.46	3.17	-6.20
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)C1=NNN=N1	REAL000000002735	1	44	0.0	-12.49	380.35	6.70	-5.78
CCCC(NC(=O)C1=C(C)N(C2=C3C=CC=NC3=CC=C2)N=N1)C1=NNN=N1	REAL000000002736	1	47	0.0	-12.40	383.06	4.00	-8.41
CCCC(NC(=O)C1=C(C)N(C2=CC=C(OC(C)C)C=C2)N=N1)C1=NNN=N1	REAL000000002737	1	52	0.0	-11.25	419.26	4.67	-6.58
CCCC(NC(=O)C1=CSC(C2=CC=C3OCCOC3=C2)=N1)C1=NNN=N1	REAL000000002738	1	45	0.0	-11.98	389.47	3.62	-8.36
CCCC(NC(=O)C1=CC=C(OCC)C(C)=C1)C1=NNN=N1	REAL000000002739	1	43	0.0	-11.59	349.04	4.66	-6.93
CCCC(NC(=O)C1=CC=CC(OC2CCCC2)=C1)C1=NNN=N1	REAL000000002740	1	47	0.0	-9.41	365.22	5.54	-3.87
CCCC(NC(=O)COCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002741	1	50	0.0	-14.72	396.19	1.08	-13.64
CCCC(NC(=O)CN(CC(F)(F)F)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002742	1	49	0.0	-18.84	397.56	4.62	-14.22
CCCC(NC(=O)C(C)OC1=CC=CC=C1Br)C1=NNN=N1	REAL000000002743	1	40	0.0	-15.60	348.32	5.50	-10.10
CCCC(NC(=O)CN1N=CN2N=CC=C2C1=O)C1=NNN=N1	REAL000000002744	1	38	0.0	-19.54	330.66	2.52	-17.01
CCCC(NC(=O)C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000002745	1	54	0.0	-12.82	433.56	8.88	-3.94
CCCC(NC(=O)CC1CCC2=CC=CC=C2C1)C1=NNN=N1	REAL000000002746	1	46	0.0	-11.54	360.51	6.73	-4.81
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000002747	1	44	0.0	-10.85	359.45	5.47	-5.39
CCCC(NC(=O)CCCSC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002748	1	43	0.0	-12.79	385.34	6.99	-5.79
CCCC(NC(=O)CCCCOC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002749	1	46	0.0	-11.40	396.52	6.14	-5.26
CCCC(NC(=O)C1=CN=C(OCC)C(Cl)=C1)C1=NNN=N1	REAL000000002750	1	39	0.0	-10.92	342.75	1.88	-9.04
CCCC(NC(=O)CC1CCCC2=CC=CC=C21)C1=NNN=N1	REAL000000002751	1	46	0.0	-10.00	356.63	6.58	-3.43
CCCC(NC(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000002752	1	52	0.0	-10.68	399.43	8.06	-2.61
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C1=NNN=N1	REAL000000002753	1	55	0.0	-10.55	407.34	7.85	-2.70
CCCC(NC(=O)CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000002754	1	42	0.0	-13.42	374.97	5.93	-7.49
CCCC(NC(=O)C1=CN(C)C(=O)N(C)C1=O)C1=NNN=N1	REAL000000002755	1	39	0.0	-13.76	324.97	2.16	-11.60
CCCC(NC(=O)C(C)OC1=CC=C(F)C=C1Cl)C1=NNN=N1	REAL000000002756	1	40	0.0	-15.29	350.36	5.46	-9.84
CCCC(NC(=O)CN1C(=O)C(=O)N(C)C1=O)C1=NNN=N1	REAL000000002757	1	37	0.0	-15.95	327.09	0.64	-15.31
CCCC(NC(=O)CCCCCNC(=O)NC1CCCCC1)C1=NNN=N1	REAL000000002758	1	60	0.0	-13.89	459.05	3.93	-9.96
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(=O)CNC(C)=O)C1=NNN=N1	REAL000000002759	1	51	0.0	-13.20	405.71	2.62	-10.58
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C=C2N1)C1=NNN=N1	REAL000000002760	1	45	0.0	-11.14	362.96	2.49	-8.64
CCCC(NC(=O)CC1=CC=C(Br)S1)C1=NNN=N1	REAL000000002761	1	33	0.0	-11.18	314.26	4.17	-7.01
CCCC(NC(=O)CCCN1C=CC=CC1=O)C1=NNN=N1	REAL000000002762	1	42	0.0	-23.29	349.06	4.20	-19.09
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002763	1	49	0.0	-15.89	406.84	2.23	-13.66
CCCC(NC(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=NNN=N1	REAL000000002764	1	40	0.0	-15.34	328.91	4.53	-10.81
CCCC(NC(=O)C1=CC=C(OCCOC)C=C1)C1=NNN=N1	REAL000000002765	1	44	0.0	-13.73	362.61	3.19	-10.54
CCCC(NC(=O)C1=CN(S(=O)(=O)C2=CC=C(C)C=C2)C=C1)C1=NNN=N1	REAL000000002766	1	47	0.0	-13.34	399.46	4.12	-9.22
CCCC(NC(=O)CS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=NNN=N1	REAL000000002767	1	44	0.0	-25.22	379.91	1.54	-23.68
CCCC(NC(=O)C(C)CSC1=CC=CC=C1)C1=NNN=N1	REAL000000002768	1	43	0.0	-10.37	359.96	6.19	-4.18
CCCC(NC(=O)CC1=CC=CC=C1OC(F)F)C1=NNN=N1	REAL000000002769	1	40	0.0	-14.38	340.42	3.97	-10.42
CCCC(NC(=O)C1=C(Cl)C2=CC=C(C(C)C)C=C2S1)C1=NNN=N1	REAL000000002770	1	45	0.0	-7.55	382.43	7.15	-0.40
CCCC(NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1)C1=NNN=N1	REAL000000002771	1	53	0.0	-13.25	404.63	5.30	-7.94
CCCC(NC(=O)C(CC)CC1=CC=CC=C1)C1=NNN=N1	REAL000000002772	1	45	0.0	-9.86	359.96	6.18	-3.68
CCCC(NC(=O)C1=CSC(C2=COC=C2)=N1)C1=NNN=N1	REAL000000002773	1	36	0.0	-11.08	328.12	2.47	-8.61
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C)N=C1)C1=NNN=N1	REAL000000002774	1	43	0.0	-12.70	354.32	5.74	-6.95
CCCC(NC(=O)C1=CC=C(N2N=C(C)C=C2C)C(F)=C1)C1=NNN=N1	REAL000000002775	1	46	0.0	-19.25	385.16	6.06	-13.19
CCCC(NC(=O)COC1=CC(OC)=CC=C1C=O)C1=NNN=N1	REAL000000002776	1	43	0.0	-16.42	362.70	3.33	-13.09
CCCC(NC(=O)C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)C1=NNN=N1	REAL000000002777	1	47	0.0	-8.17	384.23	5.57	-2.60
CCCC(NC(=O)C1=C(C)N(C2=CC=C3N=CC=CC3=C2)N=N1)C1=NNN=N1	REAL000000002778	1	47	0.0	-13.86	392.77	4.21	-9.65
CCCC(NC(=O)C=CC1=CC=C(N2CCOCC2)C=C1)C1=NNN=N1	REAL000000002779	1	50	0.0	-12.27	395.98	3.69	-8.58
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000002780	1	50	0.0	-13.52	393.72	5.41	-8.11
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)C1=NNN=N1	REAL000000002781	1	44	0.0	-12.04	379.06	6.64	-5.40
CCCC(NC(=O)CC1=COC(C2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000002782	1	42	0.0	-16.24	364.61	2.99	-13.25
CCCC(NC(=O)CC1=CC=C(Cl)C=C1Br)C1=NNN=N1	REAL000000002783	1	36	0.0	-10.34	337.30	5.35	-4.99
CCCC(NC(=O)C1=C(C)N(C2=CC=C(F)C(Cl)=C2)N=N1)C1=NNN=N1	REAL000000002784	1	42	0.0	-11.85	372.53	4.38	-7.47
CCCC(NC(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=NNN=N1	REAL000000002785	1	42	0.0	-15.80	353.05	3.18	-12.62
CCCC(NC(=O)C1=CC=C(N2CCC(O)CC2)C=C1)C1=NNN=N1	REAL000000002786	1	49	0.0	-13.00	381.53	1.60	-11.40
CCCC(NC(=O)C1=CC=C(C(=O)NCC(C)(C)C)C=C1)C1=NNN=N1	REAL000000002788	1	52	0.0	-16.35	413.02	5.03	-11.32
CCCC(NC(=O)C1=CC=CC(C2=NOC(CC(C)(C)C)=N2)=C1)C1=NNN=N1	REAL000000002789	1	53	0.0	-17.31	428.24	5.66	-11.65
CCCC(NC(=O)C1=CC=CC(C(=O)N(C)CC(C)(C)C)=C1)C1=NNN=N1	REAL000000002790	1	55	0.0	-21.02	421.51	6.34	-14.67
CCCC(NC(=O)C1=C(C)N=C(C2=CN(C)N=C2)S1)C1=NNN=N1	REAL000000002791	1	42	0.0	-13.04	366.43	2.97	-10.07
CCCC(NC(=O)C1=CC(I)=CN1)C1=NNN=N1	REAL000000002792	1	31	0.0	-12.20	293.08	2.55	-9.65
CCCC(NC(=O)C1CCCN(C(=O)C2=CC=NC=C2)C1)C1=NNN=N1	REAL000000002793	1	49	0.0	-13.97	390.19	3.70	-10.27
CCCC(NC(=O)CN(CC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002794	1	49	0.0	-16.25	384.36	4.31	-11.94
CCCC(NC(=O)C1=CC=C(C2=NN=C(C)O2)C=C1)C1=NNN=N1	REAL000000002795	1	41	0.0	-16.05	350.55	0.31	-15.73
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002796	1	38	0.0	-14.22	323.41	4.67	-9.55
CCCC(NC(=O)C(C)CC1=C(C)NN=C1C)C1=NNN=N1	REAL000000002797	1	45	0.0	-12.67	356.08	3.01	-9.66
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2S1)C1=NNN=N1	REAL000000002798	1	43	0.0	-10.76	360.98	4.98	-5.78
CCCC(NC(=O)C1=CC=C(C2=NNC(C)=N2)C=C1)C1=NNN=N1	REAL000000002799	1	42	0.0	-15.60	354.76	4.37	-11.23
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=NNN=N1	REAL000000002800	1	39	0.0	-8.48	335.41	4.55	-3.93
CCCC(NC(=O)C1=CC(NC(=O)C(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002801	1	46	0.0	-15.57	385.99	4.57	-11.00
CCCC(NC(=O)C(=O)NCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000002802	1	40	0.0	-9.54	347.43	2.08	-7.46
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000002803	1	42	0.0	-10.51	355.85	2.83	-7.68
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C(C)C)=N1)C1=NNN=N1	REAL000000002804	1	48	0.0	-18.91	401.68	6.31	-12.61
CCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL000000002805	0	44	0.0	-69.01	363.80	4.69	-64.33
CCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=N[N-]N=N1	REAL000000002805	1	44	0.0	-69.02	363.74	4.68	-64.34
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N1)C1=NNN=N1	REAL000000002806	1	41	0.0	-11.69	342.82	5.00	-6.69
CCCC(NC(=O)C1CC1C1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000002807	1	40	0.0	-10.78	334.66	5.66	-5.12
CCCC(NC(=O)CCNC1=NC=C(C(F)(F)F)C=C1Cl)C1=NNN=N1	REAL000000002808	1	43	0.0	-12.41	387.75	4.21	-8.20
CCCC(NC(=O)C1=CC=C(C)C(OC2=CC=NC=C2)=C1)C1=NNN=N1	REAL000000002809	1	46	0.0	-14.76	382.98	5.52	-9.24
CCCC(NC(=O)C1=CC=CC(COC2=CC=C(C#N)C=C2)=C1)C1=NNN=N1	REAL000000002810	1	48	0.0	-15.89	409.83	7.33	-8.55
CCCC(NC(=O)CC(C)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002811	1	42	0.0	-8.58	336.41	5.31	-3.27
CCCC(NC(=O)C(CC)CC1CCCCC1)C1=NNN=N1	REAL000000002812	1	51	0.0	-8.97	377.98	6.58	-2.39
CCCC(NC(=O)C(CC)CC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000002813	1	45	0.0	-5.89	368.36	6.64	0.75
CCCC(NC(=O)C1=CC=C(OC2=CC=C(CC#N)C=C2)C=C1)C1=NNN=N1	REAL000000002814	1	48	0.0	-18.09	408.65	7.67	-10.42
CCCC(NC(=O)C=CC1=CSC(Br)=C1)C1=NNN=N1	REAL000000002815	1	34	0.0	-7.56	316.77	4.20	-3.36
CCCC(NC(=O)C1=CC(Cl)=NC(N2CCCC2)=C1)C1=NNN=N1	REAL000000002816	1	44	0.0	-7.43	361.67	3.69	-3.74
CCCC(NC(=O)CC(C)C1=CC=CC=C1C)C1=NNN=N1	REAL000000002817	1	45	0.0	-9.68	354.69	6.11	-3.57
CCCC(NC(=O)C1=CSC(C2=CC=C(O)C=C2)=N1)C1=NNN=N1	REAL000000002818	1	40	0.0	-11.59	355.98	1.61	-9.98
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(OC)C=C2)=N1)C1=NNN=N1	REAL000000002819	1	46	0.0	-10.54	386.89	2.27	-8.28
CCCC(NC(=O)C1=CC=C(C2=CC=C(F)C=C2C)C(F)=C1)C1=NNN=N1	REAL000000002821	1	46	0.0	-10.54	386.30	7.85	-2.69
CCCC(NC(=O)C(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000002822	1	35	0.0	-6.93	319.55	4.10	-2.83
CCCC(NC(=O)C1=CC=CC(OC2=CC=NC=C2)=C1)C1=NNN=N1	REAL000000002823	1	43	0.0	-15.16	361.48	4.74	-10.42
CCCC(NC(=O)C1CSC2=CC=CC=C21)C1=NNN=N1	REAL000000002824	1	38	0.0	-11.51	321.60	5.08	-6.43
CCCC(NC(=O)C1CCS(=O)(=O)CC1)C1=NNN=N1	REAL000000002825	1	39	0.0	-17.34	314.50	-0.34	-17.67
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)O1)C1=NNN=N1	REAL000000002826	1	36	0.0	-16.84	325.25	-0.74	-17.58
CCCC(NC(=O)C1=CC2=C(C)C(C)=CC=C2N1)C1=NNN=N1	REAL000000002827	1	43	0.0	-8.55	341.94	4.43	-4.12
CCCC(NC(=O)C1=CC2=C(C)C=C(F)C=C2N1)C1=NNN=N1	REAL000000002828	1	40	0.0	-7.85	331.46	3.96	-3.89
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2C#N)=C1)C1=NNN=N1	REAL000000002829	1	45	0.0	-17.58	404.88	7.46	-10.12
CCCC(NC(=O)C1=CC=CC(OC2=CC=CC(Cl)=C2C#N)=C1)C1=NNN=N1	REAL000000002830	1	45	0.0	-20.43	403.55	7.37	-13.05
CCCC(NC(=O)C1=CC=CC(COC2=CC=C(C)N=C2)=C1)C1=NNN=N1	REAL000000002831	1	49	0.0	-15.26	405.49	5.74	-9.51
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C(F)(F)F)N2C(C)C)C1=NNN=N1	REAL000000002832	1	48	0.0	-12.34	391.54	5.96	-6.38
CCCC(NC(=O)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)C1=NNN=N1	REAL000000002833	1	43	0.0	-11.43	377.25	5.27	-6.16
CCCC(NC(=O)C1=CC(=O)C2=CC(Br)=CC=C2N1)C1=NNN=N1	REAL000000002834	1	39	0.0	-13.04	349.66	4.09	-8.95
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(F)=C2)=C1)C1=NNN=N1	REAL000000002835	1	47	0.0	-14.49	395.42	7.00	-7.49
CCCC(NC(=O)CC1=CC=C(OCC#N)C=C1)C1=NNN=N1	REAL000000002836	1	41	0.0	-16.77	353.08	4.34	-12.43
CCCC(NC(=O)CN1C(=O)CCC2=CC=CC=C21)C1=NNN=N1	REAL000000002837	1	44	0.0	-17.24	357.51	5.03	-12.21
CCCC(NC(=O)C1CC1C1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000002838	1	46	0.0	-9.22	357.70	7.38	-1.85
CCCC(NC(=O)CCCCOC1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000002839	1	47	0.0	-14.08	396.06	5.92	-8.15
CCCC(NC(=O)C(C)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002840	1	43	0.0	-12.42	347.77	4.19	-8.23
CCCC(NC(=O)C(CC)SC1=CC=CC=C1)C1=NNN=N1	REAL000000002841	1	43	0.0	-11.14	359.25	5.96	-5.18
CCCC(NC(=O)CC1=CC=CC=C1NS(C)(=O)=O)C1=NNN=N1	REAL000000002842	1	44	0.0	-13.42	358.02	0.56	-12.86
CCCC(NC(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002843	1	42	0.0	-13.89	349.40	5.11	-8.78
CCCC(NC(=O)C1=CSC(I)=C1)C1=NNN=N1	REAL000000002844	1	30	0.0	-7.27	290.07	3.45	-3.82
CCCC(NC(=O)C1CC12CCOC1=CC=CC=C12)C1=NNN=N1	REAL000000002845	1	45	0.0	-8.71	350.02	5.05	-3.66
CCCC(NC(=O)CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000002846	1	48	0.0	-12.87	409.84	7.05	-5.83
CCCC(NC(=O)C1=CN(C2CCCCC2)N=C1)C1=NNN=N1	REAL000000002847	1	46	0.0	-11.13	364.56	4.65	-6.48
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=C1)C1=NNN=N1	REAL000000002848	1	40	0.0	-21.75	334.16	1.95	-19.80
CCCC(NC(=O)COC1=C(C)C=CC=C1Cl)C1=NNN=N1	REAL000000002849	1	40	0.0	-13.26	351.32	5.61	-7.66
CCCC(NC(=O)CCN1C(=O)SC(C)=C1C)C1=NNN=N1	REAL000000002850	1	42	0.0	-14.27	354.47	3.53	-10.74
CCCC(NC(=O)C1CC1C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000002851	1	40	0.0	-7.15	356.56	6.38	-0.76
CCCC(NC(=O)C1=CC(NC(=O)CC(C)(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002852	1	52	0.0	-14.99	419.82	5.79	-9.20
CCCC(NC(=O)C1=CC(NC(=O)CC(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002853	1	49	0.0	-15.62	404.85	5.27	-10.35
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC(C#N)=C2)=C1)C1=NNN=N1	REAL000000002854	1	48	0.0	-16.38	409.86	7.33	-9.06
CCCC(NC(=O)CCC1=CC(Cl)=CS1)C1=NNN=N1	REAL000000002855	1	36	0.0	-9.62	330.86	4.75	-4.87
CCCC(NC(=O)C1=CC=C(CN(C)C(=O)C(C)C)C=C1)C1=NNN=N1	REAL000000002856	1	52	0.0	-14.72	405.64	5.70	-9.02
CCCC(NC(=O)C1=CC=CC(OCC=C(C)C)=C1)C1=NNN=N1	REAL000000002857	1	47	0.0	-13.80	381.17	5.93	-7.88
CCCC(NC(=O)C1=CC=CC(OC2=NC=CS2)=C1)C1=NNN=N1	REAL000000002858	1	40	0.0	-17.08	352.90	2.39	-14.68
CCCC(NC(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=NNN=N1	REAL000000002859	1	42	0.0	-12.74	351.94	1.81	-10.93
CCCC(NC(=O)CC1=CNC2=CC=C(F)C=C12)C1=NNN=N1	REAL000000002860	1	40	0.0	-16.17	340.76	4.46	-11.72
CCCC(NC(=O)C1=CC=CC(COC2=CC=CC=C2C#N)=C1)C1=NNN=N1	REAL000000002861	1	48	0.0	-18.51	409.24	7.36	-11.14
CCCC(NC(=O)C(C)OC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000002862	1	40	0.0	-14.86	350.00	5.42	-9.44
CCCC(NC(=O)CCN1C(=O)CCC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000002863	1	47	0.0	-15.20	383.51	5.47	-9.73
CCCC(NC(=O)C1=CNC(Br)=C1)C1=NNN=N1	REAL000000002864	1	31	0.0	-10.06	286.93	2.01	-8.05
CCCC(NC(=O)C1=CC=C(OCC2=NOC(CC)=N2)C=C1)C1=NNN=N1	REAL000000002865	1	48	0.0	-16.26	401.96	3.23	-13.03
CCCC(NC(=O)CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NNN=N1	REAL000000002866	1	44	0.0	-13.28	392.01	1.61	-11.67
CCCC(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1=NNN=N1	REAL000000002867	1	50	0.0	-19.59	414.86	-2.57	-22.16
CCCC(NC(=O)CC1OCCC2=CC=CC=C21)C1=NNN=N1	REAL000000002868	1	44	0.0	-13.01	350.87	5.25	-7.76
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)CCN2C)C1=NNN=N1	REAL000000002869	1	46	0.0	-14.85	362.56	1.61	-13.23
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2Cl)N=N1)C1=NNN=N1	REAL000000002870	1	42	0.0	-10.11	380.35	5.11	-5.01
CCCC(NC(=O)C1=CC(N2CCNC2=O)=CC=C1Cl)C1=NNN=N1	REAL000000002871	1	43	0.0	-18.65	362.69	2.91	-15.74
CCCC(NC(=O)CC(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000002872	1	52	0.0	-9.57	408.26	8.76	-0.81
CCCC(NC(=O)C1=CC=C(F)C(COCCOC)=C1)C1=NNN=N1	REAL000000002873	1	47	0.0	-14.59	391.95	3.85	-10.74
CCCC(NC(=O)C(C)NS(=O)(=O)C1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000002874	1	50	0.0	-17.51	409.49	-0.38	-17.89
CCCC(NC(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=NNN=N1	REAL000000002875	1	39	0.0	-11.72	335.64	4.19	-7.53
CCCC(NC(=O)C1=CC=CC(NC2=CC=C(C)N=N2)=C1)C1=NNN=N1	REAL000000002876	1	46	0.0	-13.20	372.04	4.28	-8.92
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl)C1=NNN=N1	REAL000000002877	1	45	0.0	-18.26	379.42	2.37	-15.90
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)NC(C)(C)C)=C1)C1=NNN=N1	REAL000000002878	1	54	0.0	-21.00	422.72	4.19	-16.81
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=NNN=N1	REAL000000002879	1	50	0.0	-12.96	405.01	4.11	-8.86
CCCC(NC(=O)CCOCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000002880	1	47	0.0	-11.94	387.29	3.74	-8.20
CCCC(NC(=O)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)C1=NNN=N1	REAL000000002881	1	43	0.0	-14.47	378.21	5.83	-8.64
CCCC(NC(=O)C1=CC=CC(NC2=CC=C(C#N)C=C2)=C1)C1=NNN=N1	REAL000000002882	1	46	0.0	-14.45	389.93	6.39	-8.06
CCCC(NC(=O)C1=CC=CC(NC2=CN=CC=N2)=C1)C1=NNN=N1	REAL000000002883	1	43	0.0	-14.43	357.42	3.11	-11.32
CCCC(NC(=O)CCSC1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000002884	1	46	0.0	-13.33	387.04	4.75	-8.58
CCCC(NC(=O)C1=CC(C)=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=NNN=N1	REAL000000002885	1	47	0.0	-8.77	377.32	3.66	-5.11
CCCC(NC(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=NNN=N1	REAL000000002886	1	39	0.0	-17.38	333.78	3.13	-14.25
CCCC(NC(=O)C1=CC2=C(CCCCC2)NC1=O)C1=NNN=N1	REAL000000002887	1	46	0.0	-14.53	357.85	3.75	-10.77
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000002888	1	50	0.0	-11.79	392.39	3.71	-8.08
CCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002889	0	47	0.0	-56.80	369.64	6.03	-50.76
CCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL000000002889	1	47	0.0	-56.91	369.27	6.04	-50.86
CCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002889	1	47	0.0	-56.82	369.70	6.04	-50.78
CCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL000000002889	1	47	0.0	-56.92	369.33	6.04	-50.88
CCCC(NC(=O)C1=CSC(NC2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000002890	1	40	0.0	-12.56	352.61	4.19	-8.36
CCCC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002891	1	35	0.0	-12.42	322.65	4.84	-7.58
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=NNN=N1	REAL000000002892	1	39	0.0	-9.86	343.11	3.33	-6.53
CCCC(NC(=O)CC(C)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002893	1	45	0.0	-12.01	375.92	6.56	-5.45
CCCC(NC(=O)CC(C)C1=CC=C(C(C)C)C=C1)C1=NNN=N1	REAL000000002894	1	51	0.0	-9.74	397.42	7.49	-2.25
CCCC(NC(=O)C(C)CC1=CC=CC=C1F)C1=NNN=N1	REAL000000002895	1	42	0.0	-10.47	345.84	5.69	-4.78
CCCC(NC(=O)CCS(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000002896	1	47	0.0	-20.08	391.85	2.05	-18.03
CCCC(NC(=O)COC1=CC=CC(Cl)=C1C)C1=NNN=N1	REAL000000002897	1	40	0.0	-14.68	345.39	5.37	-9.31
CCCC(NC(=O)CCSC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000002898	1	48	0.0	-13.78	401.24	4.84	-8.94
CCCC(NC(=O)C(C)CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000002899	1	45	0.0	-10.36	377.82	6.60	-3.76
CCCC(NC(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=NNN=N1	REAL000000002900	1	39	0.0	-13.37	330.94	2.80	-10.58
CCCC(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002901	1	55	0.0	-12.93	416.90	2.83	-10.09
CCCC(NC(=O)CCS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000002902	1	50	0.0	-17.07	414.57	1.06	-16.01
CCCC(NC(=O)C(C)CC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000002903	1	45	0.0	-11.18	378.15	6.61	-4.57
CCCC(NC(=O)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1)C1=NNN=N1	REAL000000002904	1	41	0.0	-21.38	364.10	5.84	-15.54
CCCC(NC(=O)C1=COC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000002905	1	39	0.0	-10.41	337.93	2.11	-8.30
CCCC(NC(=O)C1=CC=CC(NC(=O)N(C)C)=C1)C1=NNN=N1	REAL000000002906	1	45	0.0	-18.76	359.16	3.09	-15.68
CCCC(NC(=O)CC1=CSC(C2=COC=C2)=N1)C1=NNN=N1	REAL000000002907	1	39	0.0	-16.46	349.15	3.30	-13.16
CCCC(NC(=O)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1)C1=NNN=N1	REAL000000002908	1	42	0.0	-13.56	373.80	4.34	-9.22
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C1=NNN=N1	REAL000000002909	1	35	0.0	-13.01	322.17	4.95	-8.05
CCCC(NC(=O)C1=CC=C(OCC2=CN(C)N=C2)C(OC)=C1)C1=NNN=N1	REAL000000002910	1	51	0.0	-19.00	420.93	4.66	-14.34
CCCC(NC(=O)CCC1=NC(C2=COC=C2)=NO1)C1=NNN=N1	REAL000000002911	1	41	0.0	-14.42	356.60	1.75	-12.67
CCCC(NC(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=NNN=N1	REAL000000002912	1	39	0.0	-18.02	333.63	4.16	-13.86
CCCC(NC(=O)C1CC2COCC(C1)C2=O)C1=NNN=N1	REAL000000002913	1	43	0.0	-12.38	330.35	3.33	-9.05
CCCC(NC(=O)C1=CSC(CC2=CC=CC=C2F)=N1)C1=NNN=N1	REAL000000002914	1	42	0.0	-10.59	373.77	5.17	-5.41
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=NNN=N1	REAL000000002915	1	38	0.0	-15.93	344.43	5.40	-10.53
CCCC(NC(=O)C1=CSC(NC2=CC=C(OC)C=C2)=N1)C1=NNN=N1	REAL000000002917	1	45	0.0	-8.95	378.94	3.12	-5.83
CCCC(NC(=O)CC1=CNC2=CC=C(Cl)C=C12)C1=NNN=N1	REAL000000002918	1	40	0.0	-15.14	351.07	4.90	-10.23
CCCC(NC(=O)C1=CC=CC(N2C=CN=C2)=C1)C1=NNN=N1	REAL000000002919	1	40	0.0	-16.20	333.66	6.06	-10.14
CCCC(NC(=O)CCSCC1=NC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000002920	1	48	0.0	-17.12	412.95	5.01	-12.11
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(CC)=N1)C1=NNN=N1	REAL000000002921	1	45	0.0	-15.61	374.81	5.72	-9.89
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2O1)C1=NNN=N1	REAL000000002922	1	36	0.0	-9.52	315.45	4.11	-5.40
CCCC(NC(=O)CCCC1=NC(C2CC2)=NO1)C1=NNN=N1	REAL000000002923	1	44	0.0	-17.15	368.21	3.03	-14.12
CCCC(NC(=O)C1=CC=CC(C2=NC(C)=CS2)=C1)C1=NNN=N1	REAL000000002924	1	42	0.0	-13.64	363.97	5.14	-8.50
CCCC(NC(=O)CNC(C1=CC=CC=C1)C(F)(F)F)C1=NNN=N1	REAL000000002925	1	44	0.0	-9.30	365.34	3.29	-6.01
CCCC(NC(=O)C1=CC2=C(CCC2)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000002926	1	45	0.0	-15.53	376.12	0.51	-15.01
CCCC(NC(=O)CN1CCN(C2=CC=CC=N2)CC1)C1=NNN=N1	REAL000000002927	1	49	0.0	-15.38	384.47	2.07	-13.31
CCCC(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000002928	1	52	0.0	-10.81	386.19	1.89	-8.92
CCCC(NC(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000002929	1	42	0.0	-11.38	359.19	4.69	-6.69
CCCC(NC(=O)C1=CC(=O)NC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000002930	1	39	0.0	-11.12	330.72	2.76	-8.36
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C(C(C)C)=N1)C1=NNN=N1	REAL000000002932	1	48	0.0	-16.13	401.12	6.21	-9.92
CCCC(NC(=O)C1=CC=NC(N2CCCCC2)=N1)C1=NNN=N1	REAL000000002933	1	46	0.0	-9.85	367.40	4.61	-5.24
CCCC(NC(=O)C(C)CC1=C(C)ON=C1C)C1=NNN=N1	REAL000000002934	1	44	0.0	-12.08	351.27	4.19	-7.89
CCCC(NC(=O)C1=C2N=C(C)C=CC2=CC=C1)C1=NNN=N1	REAL000000002935	1	41	0.0	-14.61	331.21	4.75	-9.87
CCCC(NC(=O)C1CC2=CC(F)=CC=C2O1)C1=NNN=N1	REAL000000002936	1	38	0.0	-10.70	316.21	4.17	-6.53
CCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL000000002937	0	44	0.0	-65.50	352.71	5.55	-59.96
CCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL000000002937	1	44	0.0	-65.50	352.65	5.55	-59.95
CCCC(NC(=O)CCN1CC[NH+](CC)CC1)C1=NN=N[N-]1	REAL000000002938	0	49	0.0	-65.25	372.65	2.70	-62.55
CCCC(NC(=O)C1=CC(S(=O)(=O)NCCOC)=CN1)C1=NNN=N1	REAL000000002940	1	46	0.0	-15.69	390.86	-2.83	-18.52
CCCC(NC(=O)C1=CC(S(=O)(=O)NC(C)C)=CN1)C1=NNN=N1	REAL000000002941	1	45	0.0	-18.64	381.99	-1.04	-19.68
CCCC(NC(=O)C1=CC=C(CC2CC(=O)NC2=O)C=C1)C1=NNN=N1	REAL000000002943	1	46	0.0	-18.63	379.45	2.79	-15.85
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2F)=N1)C1=NNN=N1	REAL000000002944	1	42	0.0	-12.45	361.96	3.30	-9.15
CCCC(NC(=O)CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000002945	1	46	0.0	-15.67	396.94	2.40	-13.27
CCCC(NC(=O)CCSC1=CC=C2OCCCOC2=C1)C1=NNN=N1	REAL000000002946	1	49	0.0	-13.41	405.35	5.54	-7.87
CCCC(NC(=O)C(C)CCC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000002947	1	45	0.0	-12.37	367.83	6.52	-5.85
CCCC(NC(=O)CCC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=NNN=N1	REAL000000002948	1	51	0.0	-17.38	410.38	3.47	-13.92
CCCC(NC(=O)C1CCCC(C(=O)OC)C1)C1=NNN=N1	REAL000000002949	1	45	0.0	-12.59	351.02	4.21	-8.39
CCCC(NC(=O)C1=NOC(C2=CC=CC(F)=C2)=N1)C1=NNN=N1	REAL000000002951	1	38	0.0	-11.14	339.02	2.30	-8.83
CCCC(NC(=O)C1=CC2=C(C=C1Cl)NC(=O)C2)C1=NNN=N1	REAL000000002952	1	38	0.0	-11.60	325.02	2.31	-9.29
CCCC(NC(=O)C(C)OC1=CC=C(SC)C=C1)C1=NNN=N1	REAL000000002953	1	44	0.0	-10.68	360.90	5.43	-5.24
CCCNC(=O)C1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000002954	1	46	0.0	-21.12	377.15	3.55	-17.56
CCCC(NC(=O)C1=CC=CC(C2=NN=C(C)O2)=C1)C1=NNN=N1	REAL000000002955	1	41	0.0	-20.23	350.63	0.31	-19.92
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NNN=N1	REAL000000002956	1	42	0.0	-18.26	376.24	2.26	-16.00
CCCC(NC(=O)CCCOC1=CC=CN=C1)C1=NNN=N1	REAL000000002957	1	42	0.0	-14.68	348.60	2.93	-11.75
CCCC(NC(=O)CC(C)C1=CC=C(CC)C=C1)C1=NNN=N1	REAL000000002958	1	48	0.0	-9.36	380.09	7.00	-2.36
CCCC(NC(=O)CC(CC)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000002959	1	48	0.0	-9.79	378.30	6.89	-2.90
CCCC(NC(=O)C1=CC=CC(C(=O)N2CCCC2)=N1)C1=NNN=N1	REAL000000002960	1	46	0.0	-12.84	373.85	3.86	-8.98
CCCC(NC(=O)C1=CC=NC(OCC(F)(F)F)=C1)C1=NNN=N1	REAL000000002961	1	39	0.0	-14.06	346.54	1.77	-12.29
CCCC(NC(=O)CC1CCCN(C(=O)NCC(C)C)C1)C1=NNN=N1	REAL000000002962	1	57	0.0	-20.62	433.68	4.68	-15.94
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C1=NN=N[N-]1	REAL000000002963	0	56	0.0	-62.89	428.75	6.07	-56.82
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C1=N[N-]N=N1	REAL000000002963	1	56	0.0	-62.87	428.70	6.07	-56.80
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000002964	0	53	0.0	-62.52	407.36	5.40	-57.12
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000002964	1	53	0.0	-62.50	407.30	5.40	-57.10
CCCC(NC(=O)CSCC[NH+](CC)CC)C1=NN=N[N-]1	REAL000000002965	0	47	0.0	-65.46	377.14	5.36	-60.10
CCCC(NC(=O)CSCC[NH+](CC)CC)C1=N[N-]N=N1	REAL000000002965	1	47	0.0	-65.45	377.09	5.35	-60.10
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL000000002966	0	52	0.0	-62.14	405.08	4.80	-57.33
CCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=NN=N[N-]1	REAL000000002967	0	53	0.0	-66.74	411.39	5.00	-61.74
CCCC(NC(=O)C1CCCN(C(=O)COC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000002968	1	54	0.0	-17.15	428.41	6.41	-10.74
CCCC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C1=NNN=N1	REAL000000002969	1	54	0.0	-20.91	425.77	3.33	-17.58
CCCC(NC(=O)CC1=CNC2=C(C)C=CC=C12)C1=NNN=N1	REAL000000002970	1	43	0.0	-11.45	348.31	4.72	-6.73
CCCC(NC(=O)C1=CC(N2CCNC2=O)=CC=C1F)C1=NNN=N1	REAL000000002971	1	43	0.0	-20.43	354.72	2.47	-17.96
CCCC(NC(=O)C=C(CC)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000002972	1	46	0.0	-8.45	368.58	6.96	-1.49
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)(C)C)C=C2)N=C1)C1=NNN=N1	REAL000000002974	1	55	0.0	-11.23	440.65	6.35	-4.89
CCCC(NC(=O)C1=CC(Br)=C(C=O)N1C)C1=NNN=N1	REAL000000002975	1	36	0.0	-12.79	324.20	3.24	-9.55
CCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL000000002976	0	52	0.0	-61.09	367.47	3.73	-57.36
CCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL000000002976	1	52	0.0	-61.08	367.42	3.74	-57.35
CCCC(NC(=O)C(C)SCC1=NC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000002977	1	48	0.0	-17.33	402.63	4.44	-12.89
CCCC(NC(=O)CC(NC(C)=O)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000002978	1	46	0.0	-11.35	383.36	3.56	-7.80
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002980	1	52	0.0	-18.57	415.58	5.48	-13.09
CCCC(NC(=O)C1=CN(CCC(C)C)N=N1)C1=NNN=N1	REAL000000002981	1	44	0.0	-9.95	353.75	2.55	-7.40
CCCC(NC(=O)CCN1C(=O)CCC2=CC=CC=C21)C1=NNN=N1	REAL000000002982	1	47	0.0	-11.42	371.31	5.15	-6.27
CCCC(NC(=O)C1=CC(NC(=O)NC(C)(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000002983	1	51	0.0	-14.51	416.77	3.77	-10.74
CCCC(NC(=O)C1CCN(C2=CC=C(C(C)C)C=C2)C1=O)C1=NNN=N1	REAL000000002984	1	53	0.0	-11.86	408.36	6.40	-5.46
CCCC(NC(=O)C1=CC=CC(NC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000002985	1	45	0.0	-13.74	369.07	5.99	-7.74
CCCC(NC(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000002986	1	50	0.0	-12.12	397.64	6.18	-5.93
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000002987	1	49	0.0	-19.18	419.75	5.11	-14.07
CCCC(NC(=O)C1CCCN(C(=O)NCC(C)C)C1)C1=NNN=N1	REAL000000002988	1	54	0.0	-13.10	415.15	3.98	-9.11
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000002989	1	43	0.0	-17.48	370.21	-0.20	-17.68
CCCC(NC(=O)C1=CC(N2CCOC2=O)=CC=C1F)C1=NNN=N1	REAL000000002991	1	42	0.0	-18.94	343.77	3.48	-15.45
CCCC(NC(=O)CCC1=CNC2=C(C)C=CC=C12)C1=NNN=N1	REAL000000002992	1	46	0.0	-13.14	376.89	5.85	-7.29
CCCC(NC(=O)C1=CC=C(CNC(=O)C(C)(C)C)C=C1)C1=NNN=N1	REAL000000002994	1	52	0.0	-15.25	418.65	4.72	-10.52
CCCCCCCCOCC(=O)NC(CCC)C1=NNN=N1	REAL000000002995	1	51	0.0	-12.59	405.91	6.39	-6.20
CCCC(NC(=O)C1=CC=C(CNS(=O)(=O)CC)C=C1)C1=NNN=N1	REAL000000002996	1	47	0.0	-19.04	399.12	1.35	-17.68
CCCC(NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=NNN=N1	REAL000000002997	1	44	0.0	-18.38	367.50	3.82	-14.56
CCCC(NC(=O)C1=CC=C(F)C(Br)=C1)C1=NNN=N1	REAL000000002998	1	33	0.0	-9.09	304.71	4.32	-4.77
CCCC(NC(=O)COC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000002999	1	37	0.0	-9.52	337.51	4.82	-4.69
CCCC(NC(=O)C1=CC=CC(C2=CSC(C)=N2)=C1)C1=NNN=N1	REAL000000003000	1	42	0.0	-17.11	362.24	5.10	-12.01
CCCC(NC(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)C1=NNN=N1	REAL000000003001	1	48	0.0	-16.47	387.21	2.08	-14.39
CCCC(NC(=O)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)C1=NNN=N1	REAL000000003002	1	43	0.0	-14.03	370.80	7.29	-6.74
CCCC(NC(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1=NNN=N1	REAL000000003003	1	55	0.0	-13.21	418.87	4.63	-8.59
CCCC(NC(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=NNN=N1	REAL000000003004	1	41	0.0	-15.36	354.93	2.01	-13.35
CCCC(NC(=O)C1=CC2=CC(C)=C(C)C=C2O1)C1=NNN=N1	REAL000000003005	1	42	0.0	-10.09	347.93	5.28	-4.80
CCCC(NC(=O)C1=CC(NC(C)=O)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000003006	1	48	0.0	-19.00	395.41	2.02	-16.98
CCCC(NC(=O)C(C)CCC1=CC=CC=C1F)C1=NNN=N1	REAL000000003007	1	45	0.0	-13.36	367.00	6.49	-6.87
CCCC(NC(=O)C(C)C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000003008	1	42	0.0	-7.82	343.95	5.36	-2.45
CCCC(NC(=O)C(C)NC(=O)C1=CC2=C(S1)N(C)N=C2C)C1=NNN=N1	REAL000000003009	1	49	0.0	-12.07	412.71	2.37	-9.70
CCCC(NC(=O)C(C)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000003010	1	39	0.0	-9.27	329.74	4.98	-4.28
CCCC(NC(=O)C1CCN(C2=CC=CC(Cl)=C2)C1=O)C1=NNN=N1	REAL000000003011	1	44	0.0	-16.19	371.32	5.32	-10.88
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1C)C1=NNN=N1	REAL000000003012	1	43	0.0	-14.09	373.53	5.92	-8.18
CCCC(NC(=O)C(C)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000003013	1	39	0.0	-11.21	323.76	4.69	-6.51
CCCC1=NC(C(=O)NC(CCC)C2=NNN=N2)=NN1C1=CC=CC=C1F	REAL000000003014	1	48	0.0	-18.88	402.92	6.67	-12.21
CCCC(NC(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=NNN=N1	REAL000000003015	1	50	0.0	-15.63	382.66	2.98	-12.65
CCCC(NC(=O)C(C)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000003016	1	39	0.0	-10.46	334.98	5.40	-5.07
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C1=NNN=N1	REAL000000003017	1	52	0.0	-7.66	410.35	7.41	-0.26
CCCC(NC(=O)C1=CC=C(C2=CC=C(CC)C=C2)O1)C1=NNN=N1	REAL000000003018	1	46	0.0	-9.96	384.30	6.84	-3.12
CCCC(NC(=O)C1=CC=C(OC2CCC2)C=C1)C1=NNN=N1	REAL000000003019	1	44	0.0	-10.82	355.60	5.27	-5.55
CCCC(NC(=O)C1=CC(Br)=CC=C1C)C1=NNN=N1	REAL000000003020	1	36	0.0	-8.44	315.10	4.96	-3.48
CCCC(NC(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=NNN=N1	REAL000000003021	1	44	0.0	-15.62	367.09	6.63	-8.99
CCCC(NC(=O)C1=CN=C2C=CSC2=C1)C1=NNN=N1	REAL000000003022	1	35	0.0	-11.74	309.40	3.10	-8.64
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC(N)=O)C=C1)C1=NNN=N1	REAL000000003023	1	43	0.0	-27.23	375.85	-1.84	-29.07
CCCC(NC(=O)COC1=CC=C(C=O)C=C1Br)C1=NNN=N1	REAL000000003024	1	39	0.0	-19.01	347.63	4.19	-14.83
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=NNN=N1	REAL000000003025	1	38	0.0	-9.48	325.69	2.59	-6.89
CCCC(NC(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=NNN=N1	REAL000000003026	1	46	0.0	-19.09	380.27	2.71	-16.38
CCCC(NC(=O)CNS(=O)(=O)C1=CNC(C(N)=O)=C1)C1=NNN=N1	REAL000000003027	1	43	0.0	-24.77	373.14	-5.77	-30.54
CCCC(NC(=O)C1CCSC2=CC=CC=C21)C1=NNN=N1	REAL000000003028	1	41	0.0	-11.52	339.26	5.87	-5.65
CCCC(NC(=O)CN(CC1CCCO1)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003029	1	57	0.0	-16.43	438.82	4.91	-11.52
CCCC(NC(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1)C1=NNN=N1	REAL000000003030	1	43	0.0	-14.22	359.67	5.23	-8.99
CCCC(NC(=O)CN(C)C1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000003031	1	43	0.0	-15.67	350.88	4.81	-10.85
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=NNN=N1	REAL000000003032	1	44	0.0	-8.52	348.70	5.93	-2.59
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C(C)=C1)C1=NNN=N1	REAL000000003033	1	42	0.0	-16.64	346.50	7.12	-9.52
CCCC(NC(=O)C1=CC=C(N2C=NC=N2)C=C1C)C1=NNN=N1	REAL000000003034	1	42	0.0	-16.07	346.99	6.86	-9.21
CCCC(NC(=O)C(C)N1N=NC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000003035	1	44	0.0	-18.67	372.57	4.00	-14.67
CCCC(NC(=O)C1=C2C=C(F)C=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003036	1	45	0.0	-12.61	369.97	6.14	-6.46
CCCC(NC(=O)C1CC12CCC1=CC=CC=C12)C1=NNN=N1	REAL000000003037	1	44	0.0	-11.33	350.57	6.75	-4.57
CCCC(NC(=O)C1=CC=CC(OCCCOC)=C1)C1=NNN=N1	REAL000000003038	1	47	0.0	-15.19	384.24	3.77	-11.43
CCCC(NC(=O)C(C)CC1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000003039	1	48	0.0	-13.43	375.21	4.18	-9.25
CCCC(NC(=O)C1=CC2=CC=CC(F)=C2O1)C1=NNN=N1	REAL000000003040	1	36	0.0	-11.13	315.38	4.11	-7.02
CCCC(NC(=O)C1=CC=C(NC(=O)CC(C)C)C(C)=C1)C1=NNN=N1	REAL000000003041	1	52	0.0	-14.14	410.98	5.66	-8.48
CCCC(NC(=O)CNC1=C(C)C=CC=C1C)C1=NNN=N1	REAL000000003042	1	44	0.0	-7.53	347.71	3.81	-3.72
CCCC(NC(=O)C1=CC(OC)=C(OC(F)F)C(OC)=C1)C1=NNN=N1	REAL000000003043	1	45	0.0	-15.04	379.24	3.24	-11.81
CCCC(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000003044	1	50	0.0	-16.60	394.39	5.47	-11.13
CCCC(NC(=O)C1=CC=C(OC2CCOCC2)C=C1)C1=NNN=N1	REAL000000003045	1	48	0.0	-11.82	379.52	4.06	-7.76
CCCC(NC(=O)C1=CC=C(OC)C(N2CCNC2=O)=C1)C1=NNN=N1	REAL000000003046	1	47	0.0	-22.04	386.73	2.06	-19.97
CCCC(NC(=O)C1=CC=C(NC(=O)CC(C)C)C(F)=C1)C1=NNN=N1	REAL000000003047	1	49	0.0	-10.22	390.93	4.54	-5.68
CCCC(NC(=O)C1=CNC(=O)C(Br)=C1)C1=NNN=N1	REAL000000003048	1	33	0.0	-12.55	295.66	0.89	-11.66
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000003049	1	49	0.0	-26.96	415.15	1.65	-25.31
CCCC(NC(=O)C=CC1=CC(Br)=CS1)C1=NNN=N1	REAL000000003050	1	34	0.0	-10.04	323.97	4.57	-5.47
CCCC(NC(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=NNN=N1	REAL000000003051	1	39	0.0	-16.94	340.30	4.37	-12.57
CCCC(NC(=O)C1=C(C)N=C(C2CCCC2)S1)C1=NNN=N1	REAL000000003052	1	45	0.0	-9.82	369.05	4.82	-5.00
CCCC(NC(=O)C1CC12CCCC1=CC=CC=C12)C1=NNN=N1	REAL000000003053	1	47	0.0	-9.69	365.73	7.21	-2.47
CCCC(NC(=O)C(C)CC(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000003054	1	44	0.0	-13.14	363.88	5.67	-7.48
CCCC(NC(=O)C1=CC(C2=CC=CC=C2O)=NN1)C1=NNN=N1	REAL000000003056	1	41	0.0	-13.40	347.97	1.13	-12.28
CCCC(NC(=O)C1=CN=C2C(OC(F)(F)F)=CC=CC2=C1O)C1=NNN=N1	REAL000000003062	1	43	0.0	-11.11	365.55	2.01	-9.10
CCCC(NC(=O)C1=CN=C2C(C)=CC(F)=CC2=C1O)C1=NNN=N1	REAL000000003063	1	42	0.0	-12.64	353.43	3.50	-9.14
CCCC(NC(=O)C(C)C1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000003064	1	47	0.0	-14.66	376.98	4.12	-10.54
CCCC(NC(=O)C1=CC=C(N2C=C(Br)C=N2)N=N1)C1=NNN=N1	REAL000000003065	1	38	0.0	-8.31	345.32	3.31	-5.01
CCCC(NC(=O)CC1=CC=C(NC(=O)C2CC2)C=C1)C1=NNN=N1	REAL000000003066	1	47	0.0	-16.80	389.55	4.82	-11.98
CCCC(NC(=O)C1CC2=CC(C)=C(C)C=C2O1)C1=NNN=N1	REAL000000003067	1	44	0.0	-15.29	355.40	5.75	-9.54
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1N)C1=NNN=N1	REAL000000003068	1	37	0.0	-11.11	304.93	2.40	-8.70
CCCC(NC(=O)C1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000003069	1	53	0.0	-11.45	427.15	8.95	-2.50
CCCC(NC(=O)C1CC1C1=CC=CC(F)=C1F)C1=NNN=N1	REAL000000003070	1	40	0.0	-17.85	342.10	5.78	-12.07
CCCC(NC(=O)CCCCC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003071	1	45	0.0	-10.98	383.48	7.21	-3.77
CCCOC1=CC=C(CCC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000003072	1	49	0.0	-11.15	396.61	6.18	-4.97
CCCC(NC(=O)C(CC)OC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000003073	1	46	0.0	-14.10	365.13	6.08	-8.02
CCCC(NC(=O)C=C(C)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003074	1	43	0.0	-7.73	364.11	6.33	-1.40
CCCC(NC(=O)C1=CC=C(NC(=O)OCC(F)(F)F)C=C1)C1=NNN=N1	REAL000000003075	1	44	0.0	-15.81	386.25	3.27	-12.54
CCCC(NC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=NNN=N1	REAL000000003076	1	45	0.0	-20.05	366.18	1.68	-18.37
CCCC(NC(=O)C1=CC=CC(CSC2=CC(C)=CC=C2C)=C1)C1=NNN=N1	REAL000000003077	1	53	0.0	-10.06	432.04	9.48	-0.58
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(CC)O2)CC1)C1=NNN=N1	REAL000000003078	1	53	0.0	-13.65	411.70	4.99	-8.65
CCCC(NC(=O)C1SCCC2=C1C=CS2)C1=NNN=N1	REAL000000003079	1	38	0.0	-11.34	332.04	4.75	-6.59
CCCC(NC(=O)CC(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003080	1	49	0.0	-16.88	388.21	2.40	-14.48
CCCC(NC(=O)C1=CC(Br)=CN1C(C)C)C1=NNN=N1	REAL000000003081	1	40	0.0	-6.74	338.32	4.80	-1.94
CCCC(NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003082	1	53	0.0	-11.44	409.83	5.53	-5.91
CCCC(NC(=O)CC(C)C1=CC=CC=C1Br)C1=NNN=N1	REAL000000003083	1	42	0.0	-8.21	347.65	5.74	-2.47
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(CC)=N1)C1=NNN=N1	REAL000000003084	1	45	0.0	-18.50	381.38	5.88	-12.62
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C=C2)S1)C1=NNN=N1	REAL000000003085	1	43	0.0	-12.51	373.94	3.88	-8.62
CCCC(NC(=O)C1=CN(CC2=CC=CS2)N=N1)C1=NNN=N1	REAL000000003086	1	39	0.0	-12.22	350.51	2.93	-9.30
CCCC(NC(=O)CC(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000003087	1	48	0.0	-26.62	400.67	1.35	-25.28
CCCC(NC(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=NNN=N1	REAL000000003088	1	49	0.0	-17.20	397.13	4.70	-12.51
CCCC(NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000003089	1	49	0.0	-10.73	380.77	7.36	-3.37
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=NNN=N1	REAL000000003090	1	48	0.0	-16.93	400.91	3.51	-13.41
CCCC(NC(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=NNN=N1	REAL000000003091	1	49	0.0	-13.56	390.47	4.79	-8.77
CCCC(NC(=O)C(C)CSC(F)(F)F)C1=NNN=N1	REAL000000003092	1	36	0.0	-9.50	324.22	3.77	-5.73
CCCC(NC(=O)C1SCCC2=CC=CC=C21)C1=NNN=N1	REAL000000003093	1	41	0.0	-11.79	339.64	5.60	-6.20
CCCC(NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=NNN=N1	REAL000000003094	1	45	0.0	-12.89	367.99	7.02	-5.87
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=NNN=N1	REAL000000003095	1	43	0.0	-19.48	373.54	3.42	-16.06
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003096	1	50	0.0	-16.84	397.24	3.63	-13.22
CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000003097	0	51	0.0	-65.45	399.59	7.31	-58.15
CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000003097	1	51	0.0	-65.73	400.02	7.32	-58.41
CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000003097	1	51	0.0	-65.45	399.53	7.30	-58.15
CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000003097	1	51	0.0	-65.72	399.96	7.32	-58.40
CCCC(NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000003098	1	45	0.0	-9.68	362.84	6.05	-3.63
CCCC(NC(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=NNN=N1	REAL000000003099	1	53	0.0	-10.40	420.98	5.34	-5.06
CCCC(NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=NNN=N1	REAL000000003100	1	43	0.0	-17.15	357.81	4.96	-12.19
CCCC(NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=NNN=N1	REAL000000003103	1	46	0.0	-13.03	377.04	5.86	-7.17
CCCC(NC(=O)C1=CN=C(C(C)OCC)S1)C1=NNN=N1	REAL000000003104	1	42	0.0	-12.22	361.83	2.26	-9.96
CCCC(NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003105	1	53	0.0	-10.96	409.21	4.51	-6.45
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003106	1	53	0.0	-18.31	418.28	4.87	-13.43
CCCC(NC(=O)C1=CC=C(OCCOC)N=C1)C1=NNN=N1	REAL000000003107	1	43	0.0	-12.28	360.32	0.60	-11.69
CCCC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=NNN=N1	REAL000000003108	1	43	0.0	-10.87	368.37	6.20	-4.67
CCCCCCCCCCCCCC(=O)NC(CCC)C1=NNN=N1	REAL000000003109	1	62	0.0	-9.68	478.83	9.96	0.28
CCCC(NC(=O)C1=CC=CC(Br)=C1C)C1=NNN=N1	REAL000000003110	1	36	0.0	-10.71	311.66	4.86	-5.84
CCCC(NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=NNN=N1	REAL000000003111	1	50	0.0	-11.33	402.43	4.44	-6.89
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=NNN=N1	REAL000000003112	1	46	0.0	-13.03	386.44	5.22	-7.81
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=NNN=N1	REAL000000003113	1	50	0.0	-11.62	410.37	2.27	-9.35
CCCC(NC(=O)C(C)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000003114	1	36	0.0	-11.03	331.92	4.81	-6.22
CCCC(NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=NNN=N1	REAL000000003115	1	44	0.0	-13.06	370.45	2.08	-10.98
CCCC(NC(=O)C(C)CCOC1=CC=CC=C1)C1=NNN=N1	REAL000000003117	1	46	0.0	-13.46	369.89	5.29	-8.17
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1)C1=NNN=N1	REAL000000003118	1	36	0.0	-9.26	317.18	4.85	-4.41
CCCC(NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=NNN=N1	REAL000000003119	1	41	0.0	-15.95	340.29	1.14	-14.82
CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL000000003120	0	51	0.0	-56.82	379.24	5.95	-50.87
CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL000000003120	1	51	0.0	-58.51	380.08	6.04	-52.47
CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL000000003120	1	51	0.0	-56.80	379.19	5.95	-50.85
CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL000000003120	1	51	0.0	-58.50	380.02	6.04	-52.46
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=NNN=N1	REAL000000003121	1	36	0.0	-17.17	320.16	4.72	-12.45
CCCC(NC(=O)CN(C)C1=CC=C(C(F)(F)F)C=C1C=O)C1=NNN=N1	REAL000000003122	1	46	0.0	-16.18	391.85	5.23	-10.95
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003123	1	48	0.0	-12.57	384.93	6.73	-5.84
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)C)=C1)C1=NNN=N1	REAL000000003124	1	43	0.0	-10.11	368.28	5.14	-4.97
CCCC(NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003125	1	51	0.0	-18.29	411.27	3.36	-14.93
CCCC(NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=NNN=N1	REAL000000003127	1	46	0.0	-14.65	384.99	5.88	-8.77
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=NNN=N1	REAL000000003128	1	53	0.0	-9.56	410.42	3.41	-6.15
CCCC(NC(=O)CC1(CS(C)(=O)=O)CC1)C1=NNN=N1	REAL000000003129	1	42	0.0	-14.28	351.43	1.00	-13.28
CCCC(NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003130	1	52	0.0	-13.32	401.80	4.21	-9.12
CCCC(NC(=O)CNS(=O)(=O)CCOC(C)C)C1=NNN=N1	REAL000000003131	1	47	0.0	-15.71	388.94	-1.80	-17.51
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=NNN=N1	REAL000000003132	1	43	0.0	-12.88	380.81	4.46	-8.42
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=NNN=N1	REAL000000003133	1	46	0.0	-13.57	372.55	4.64	-8.93
CCCC(NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=NNN=N1	REAL000000003134	1	36	0.0	-12.78	306.78	3.76	-9.02
CCCC(NC(=O)CN1C=C(C(=O)OC)N=N1)C1=NNN=N1	REAL000000003135	1	38	0.0	-21.85	334.32	0.92	-20.93
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=NNN=N1	REAL000000003136	1	46	0.0	-14.70	367.53	1.37	-13.32
CCCC(NC(=O)CCN1C(=S)N=NC1C1=CC=CC(C)=C1)C1=NNN=N1	REAL000000003137	1	49	0.0	-20.21	422.75	5.41	-14.80
CCCC(NC(=O)CC1=COC2=CC(F)=CC=C12)C1=NNN=N1	REAL000000003139	1	39	0.0	-14.50	336.60	4.77	-9.73
CCCC(NC(=O)CCC1=CC(Cl)=CC=C1Br)C1=NNN=N1	REAL000000003140	1	39	0.0	-9.68	357.70	6.12	-3.56
CCCC(NC(=O)C1=CC=C(Br)N=C1)C1=NNN=N1	REAL000000003141	1	32	0.0	-10.07	294.17	2.37	-7.70
CCCC(NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003142	1	50	0.0	-11.52	398.33	3.70	-7.82
CCCC(NC(=O)CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003143	1	60	0.0	-17.73	433.62	5.85	-11.88
CCCC(NC(=O)C(C)C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000003144	1	36	0.0	-11.01	327.28	4.70	-6.32
CCCC(NC(=O)CCCC1=CSC(C)=N1)C1=NNN=N1	REAL000000003145	1	41	0.0	-14.85	351.50	3.66	-11.19
CCCC(NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=NNN=N1	REAL000000003146	1	53	0.0	-9.71	402.72	6.21	-3.50
CCCC(NC(=O)CC=CC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000003147	1	40	0.0	-9.68	332.62	5.39	-4.29
CCCC(NC(=O)C1=C2C=C(C)C=C(C)C2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003148	1	51	0.0	-12.61	405.05	7.57	-5.04
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=NNN=N1	REAL000000003149	1	41	0.0	-14.94	341.32	3.34	-11.60
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000003150	1	41	0.0	-19.14	352.01	-0.37	-19.51
CCCC(NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000003151	1	47	0.0	-14.35	384.30	5.62	-8.73
CCCC(NC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=NNN=N1	REAL000000003152	1	55	0.0	-12.10	435.21	9.90	-2.20
CCCC(NC(=O)C(CC)OC1=CC=CC=C1F)C1=NNN=N1	REAL000000003153	1	43	0.0	-17.48	349.22	5.52	-11.96
CCCC(NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000003154	1	39	0.0	-11.94	350.16	5.86	-6.07
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=NNN=N1	REAL000000003155	1	40	0.0	-12.04	335.79	5.74	-6.30
CCCC(NC(=O)CCCC1=C(C)SC(C)=C1)C1=NNN=N1	REAL000000003156	1	45	0.0	-12.33	374.96	6.34	-5.99
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000003157	1	44	0.0	-15.28	377.40	0.51	-14.78
CCCC(NC(=O)C(C)C1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000003158	1	45	0.0	-12.65	364.16	7.11	-5.54
CCCC(NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=NNN=N1	REAL000000003159	1	36	0.0	-8.67	318.52	4.22	-4.44
CCCC(NC(=O)C1CC(=O)N(C2=CC(OC)=CC(OC)=C2)C1)C1=NNN=N1	REAL000000003160	1	52	0.0	-18.69	416.01	3.24	-15.45
CCCC(NC(=O)C1=CC=C(OC(C)CC)C=C1)C1=NNN=N1	REAL000000003161	1	46	0.0	-7.72	360.46	5.03	-2.69
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=NNN=N1	REAL000000003162	1	38	0.0	-13.35	322.21	2.81	-10.54
CCCC(NC(=O)C1=CC=NC(C(=O)OC)=C1)C1=NNN=N1	REAL000000003163	1	38	0.0	-17.30	328.67	2.51	-14.79
CCCC(NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=NNN=N1	REAL000000003165	1	43	0.0	-16.37	346.68	0.66	-15.70
CCCC(NC(=O)CN1C(=O)C=C(O)C=C1C)C1=NNN=N1	REAL000000003166	1	40	0.0	-18.64	326.07	0.18	-18.46
CCCC(NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000003167	1	45	0.0	-20.54	378.99	2.41	-18.14
CCCC(NC(=O)CC(C)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000003168	1	46	0.0	-12.25	366.69	4.87	-7.38
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=NNN=N1	REAL000000003169	1	44	0.0	-11.68	371.07	5.28	-6.40
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=NNN=N1	REAL000000003170	1	44	0.0	-8.16	383.53	6.82	-1.34
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CS1)C1=NNN=N1	REAL000000003171	1	38	0.0	-14.27	340.61	-1.53	-15.80
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=NNN=N1	REAL000000003172	1	41	0.0	-8.07	347.67	5.38	-2.69
CCCC(NC(=O)C1=CN=C2C=CC=CC2=C1C)C1=NNN=N1	REAL000000003173	1	41	0.0	-11.42	331.51	4.58	-6.84
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)NC)=C1)C1=NNN=N1	REAL000000003174	1	41	0.0	-15.02	358.42	-1.33	-16.35
CCCC(NC(=O)C1=CC(C)=C(Br)S1)C1=NNN=N1	REAL000000003175	1	33	0.0	-8.48	310.98	3.98	-4.51
CCCC(NC(=O)C(F)(F)C1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000003176	1	44	0.0	-12.68	368.68	3.13	-9.54
CCCC(NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=NNN=N1	REAL000000003177	1	45	0.0	-12.81	381.46	4.53	-8.28
CCCC(NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000003178	1	44	0.0	-15.87	366.68	0.79	-15.08
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000003179	1	44	0.0	-9.83	358.82	5.21	-4.61
CCCC(NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=NNN=N1	REAL000000003180	1	46	0.0	-13.12	377.04	5.87	-7.25
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=NNN=N1	REAL000000003181	1	43	0.0	-13.11	362.61	5.58	-7.53
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C(OC)=C2)=NN1)C1=NNN=N1	REAL000000003182	1	48	0.0	-12.52	390.66	2.59	-9.93
CCCC(NC(=O)CCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000003183	1	39	0.0	-10.13	345.05	5.75	-4.39
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=NNN=N1	REAL000000003184	1	45	0.0	-14.96	396.00	2.41	-12.56
CCCC(NC(=O)C(CC)OC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000003186	1	43	0.0	-15.49	359.02	5.98	-9.52
CCCC(NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=NNN=N1	REAL000000003187	1	43	0.0	-15.12	359.85	4.86	-10.26
CCCC(NC(=O)C1=C(Br)C=CO1)C1=NNN=N1	REAL000000003188	1	30	0.0	-8.58	273.43	1.94	-6.64
CCCC(NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=NNN=N1	REAL000000003189	1	42	0.0	-15.90	349.26	5.94	-9.96
CCCC(NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=NNN=N1	REAL000000003191	1	44	0.0	-17.21	366.75	0.77	-16.44
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=NNN=N1	REAL000000003192	1	42	0.0	-17.83	375.80	2.25	-15.58
CCCC(NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000003193	1	49	0.0	-10.96	384.94	5.63	-5.33
CCCC(NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=NNN=N1	REAL000000003194	1	42	0.0	-13.09	359.55	0.63	-12.46
CCCC(NC(=O)CCC1=NN=C(C(C)C)O1)C1=NNN=N1	REAL000000003195	1	43	0.0	-11.12	350.98	-0.89	-12.01
CCCC(NC(=O)C1=CC=C(OCCCOC)C=C1)C1=NNN=N1	REAL000000003196	1	47	0.0	-9.85	376.97	3.45	-6.40
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=NNN=N1	REAL000000003197	1	46	0.0	-16.33	384.95	5.32	-11.01
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=NNN=N1	REAL000000003198	1	44	0.0	-12.78	383.14	7.07	-5.71
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=NNN=N1	REAL000000003199	1	45	0.0	-15.16	397.67	8.03	-7.13
CCCC(NC(=O)C1=CC=C(F)C(CSC)=C1)C1=NNN=N1	REAL000000003200	1	40	0.0	-12.19	349.13	5.57	-6.62
CCCC(NC(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=NNN=N1	REAL000000003201	1	42	0.0	-11.47	383.21	5.55	-5.92
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=NNN=N1	REAL000000003202	1	53	0.0	-20.00	425.46	3.55	-16.45
CCCC(NC(=O)CC(C)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003203	1	46	0.0	-10.97	366.68	4.88	-6.09
CCCC(NC(=O)C1=CC=CC(SCC#N)=C1)C1=NNN=N1	REAL000000003204	1	38	0.0	-18.73	338.72	5.28	-13.45
CCCC(NC(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003205	1	41	0.0	-17.63	340.18	5.48	-12.15
CCCC(NC(=O)C1=CC=C2C=CC(Cl)=CC2=N1)C1=NNN=N1	REAL000000003206	1	38	0.0	-10.48	337.89	4.58	-5.90
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000003207	1	46	0.0	-8.23	350.83	4.47	-3.76
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=NNN=N1	REAL000000003208	1	40	0.0	-11.65	354.31	6.45	-5.20
CCCC(NC(=O)CCCC1=CC=C(C)S1)C1=NNN=N1	REAL000000003209	1	42	0.0	-12.27	357.36	5.83	-6.45
CCCC(NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=NNN=N1	REAL000000003210	1	45	0.0	-15.80	373.78	0.71	-15.09
CCCC(NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=NNN=N1	REAL000000003211	1	42	0.0	-19.49	349.46	5.17	-14.32
CCCC(NC(=O)C1=CC2=C(C=O)C=CC(OC)=C2O1)C1=NNN=N1	REAL000000003212	1	42	0.0	-16.79	352.40	2.72	-14.06
CCCC(NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000003213	1	40	0.0	-9.62	348.98	6.18	-3.44
CCCC(NC(=O)C1=CC(=O)NC2=C(Br)C=CC=C12)C1=NNN=N1	REAL000000003214	1	39	0.0	-11.04	342.96	3.44	-7.61
CCCC(NC(=O)C(C)SC1=C2C=CC(Cl)=CC2=NC=C1)C1=NNN=N1	REAL000000003215	1	45	0.0	-13.19	394.10	6.00	-7.19
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)OC)C(C)=C1)C1=NNN=N1	REAL000000003216	1	49	0.0	-12.24	400.39	5.82	-6.42
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=NNN=N1	REAL000000003217	1	43	0.0	-9.60	358.44	4.54	-5.07
CCCC(NC(=O)C1=C2C=C(Cl)C=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003218	1	45	0.0	-11.94	380.27	6.58	-5.36
CCCC(NC(=O)CCSC1=C2C=CC(Cl)=CC2=NC=C1)C1=NNN=N1	REAL000000003219	1	45	0.0	-10.42	390.18	6.04	-4.38
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=NNN=N1	REAL000000003220	1	36	0.0	-11.73	320.98	4.74	-6.99
CCCC(NC(=O)C(C)SC1=CC=CC=N1)C1=NNN=N1	REAL000000003221	1	39	0.0	-11.64	335.90	4.15	-7.49
CCCC(NC(=O)C=CSCC1=CC=CO1)C1=NNN=N1	REAL000000003222	1	38	0.0	-11.41	340.09	4.30	-7.11
CCCC(NC(=O)CC1=CC=CC(I)=C1)C1=NNN=N1	REAL000000003223	1	36	0.0	-11.72	330.13	5.41	-6.31
CCCC(NC(=O)CC1=CC=C(OC)C=C1Cl)C1=NNN=N1	REAL000000003224	1	40	0.0	-9.90	338.90	3.74	-6.16
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1Br)C1=NNN=N1	REAL000000003225	1	35	0.0	-9.48	316.26	4.54	-4.94
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(F)=C1)C1=NNN=N1	REAL000000003226	1	45	0.0	-12.83	372.38	4.04	-8.79
CCCC(NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=NNN=N1	REAL000000003227	1	42	0.0	-10.17	363.26	6.32	-3.85
CCCC(NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=NNN=N1	REAL000000003228	1	41	0.0	-20.56	362.40	-1.35	-21.91
CCCC(NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=NNN=N1	REAL000000003229	1	50	0.0	-9.56	392.33	5.39	-4.18
CCCC(NC(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000003230	1	53	0.0	-17.08	438.74	4.63	-12.45
CCCC(NC(=O)C1=CC=C(C(=O)CC)C=C1)C1=NNN=N1	REAL000000003231	1	41	0.0	-16.14	340.77	4.94	-11.20
CCCC(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003232	1	55	0.0	-15.47	418.76	5.63	-9.84
CCCC(NC(=O)COCC=CC1=CC=CC=C1)C1=NNN=N1	REAL000000003233	1	44	0.0	-15.07	367.97	6.00	-9.07
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000003234	1	45	0.0	-14.64	388.25	0.78	-13.86
CCCC(NC(=O)CC(C)C1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003235	1	62	0.0	-14.84	460.05	6.39	-8.46
CCCC(NC(=O)C1=CC=C(F)C(I)=C1)C1=NNN=N1	REAL000000003236	1	33	0.0	-8.83	311.01	4.79	-4.04
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=NNN=N1	REAL000000003237	1	39	0.0	-17.75	340.24	3.35	-14.40
CCCC(NC(=O)C(C)CC1=CC=C(F)C(Br)=C1)C1=NNN=N1	REAL000000003238	1	42	0.0	-10.99	366.12	6.27	-4.72
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=NNN=N1	REAL000000003239	1	38	0.0	-17.49	336.95	-2.57	-20.06
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=NNN=N1	REAL000000003240	1	41	0.0	-17.78	353.28	-1.18	-18.95
CCCC(NC(=O)C1=CC=C(C(C)CC)C=C1)C1=NNN=N1	REAL000000003241	1	45	0.0	-10.33	356.33	6.24	-4.09
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=NNN=N1	REAL000000003242	1	38	0.0	-15.64	348.23	5.47	-10.17
CCCC(NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003243	1	41	0.0	-15.89	351.97	5.80	-10.09
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000003244	1	42	0.0	-11.84	368.23	5.28	-6.56
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=NNN=N1	REAL000000003245	1	43	0.0	-11.23	374.54	7.00	-4.23
CCCC(NC(=O)C1=CC=C(C(C)(C)C)S1)C1=NNN=N1	REAL000000003246	1	42	0.0	-9.50	350.33	5.28	-4.21
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000003247	1	47	0.0	-12.34	405.63	6.97	-5.36
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=NNN=N1	REAL000000003249	1	43	0.0	-18.02	376.23	3.86	-14.16
CCCC(NC(=O)C1=CC(C)=CC=C1Br)C1=NNN=N1	REAL000000003250	1	36	0.0	-11.23	315.40	4.96	-6.27
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000003251	1	39	0.0	-15.00	360.66	2.13	-12.87
CCCC(NC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=NNN=N1	REAL000000003252	1	38	0.0	-10.03	366.15	5.18	-4.85
CCCC(NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=NNN=N1	REAL000000003253	1	44	0.0	-12.80	377.69	6.31	-6.49
CCCC(NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003254	1	36	0.0	-9.79	323.18	4.73	-5.06
CCCC(NC(=O)CCCC1=CSC2=CC=CC=C12)C1=NNN=N1	REAL000000003255	1	45	0.0	-14.11	381.60	7.26	-6.85
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=NNN=N1	REAL000000003256	1	43	0.0	-11.55	374.66	5.46	-6.08
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000003257	1	49	0.0	-10.55	388.02	5.84	-4.72
CCCC(NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=NNN=N1	REAL000000003258	1	39	0.0	-11.56	367.65	6.04	-5.52
CCCC(NC(=O)C1=CC(I)=CC(C)=C1C)C1=NNN=N1	REAL000000003259	1	39	0.0	-8.24	338.44	5.96	-2.28
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000003261	1	37	0.0	-11.69	323.71	3.44	-8.25
CCCC(NC(=O)C1=CC(I)=CC=C1C)C1=NNN=N1	REAL000000003262	1	36	0.0	-8.20	321.59	5.43	-2.77
CCCC(NC(=O)CCSC1=CC=CC=N1)C1=NNN=N1	REAL000000003263	1	39	0.0	-13.75	340.63	4.01	-9.74
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=NNN=N1	REAL000000003264	1	44	0.0	-19.78	380.03	-1.57	-21.35
CCCC(NC(=O)C1=CC(NC(=O)OC)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003265	1	44	0.0	-12.00	383.95	2.91	-9.10
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000003266	1	33	0.0	-6.29	306.63	4.40	-1.89
CCCC(NC(=O)C1=CC=NC=C1Br)C1=NNN=N1	REAL000000003267	1	32	0.0	-11.74	289.39	2.50	-9.24
CCCC(NC(=O)C1=CC(OC)=C(S(N)(=O)=O)S1)C1=NNN=N1	REAL000000003268	1	39	0.0	-19.00	355.24	-3.02	-22.02
CCCC(NC(=O)C1=CC2=CC(OC)=CC=C2OC1)C1=NNN=N1	REAL000000003269	1	43	0.0	-12.67	353.06	3.47	-9.20
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=NNN=N1	REAL000000003270	1	40	0.0	-13.81	343.68	3.83	-9.98
CCCC(NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=NNN=N1	REAL000000003271	1	43	0.0	-9.26	353.06	3.59	-5.66
CCCC(NC(=O)C1=NN(C2CCCC2)C=C1)C1=NNN=N1	REAL000000003272	1	43	0.0	-9.01	337.20	3.68	-5.33
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000003273	1	45	0.0	-14.77	383.76	2.99	-11.78
CCCC(NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000003274	1	43	0.0	-10.24	366.37	6.26	-3.98
CCCC(NC(=O)CC1=C(CC)ON=C1CC)C1=NNN=N1	REAL000000003275	1	44	0.0	-12.00	354.16	4.31	-7.69
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000003277	1	43	0.0	-15.15	366.86	3.19	-11.96
CCCC(NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=NNN=N1	REAL000000003278	1	46	0.0	-10.28	370.92	6.58	-3.70
CCCC(NC(=O)CCC1=CC=C2OCCC2=C1)C1=NNN=N1	REAL000000003279	1	44	0.0	-12.13	359.65	4.98	-7.15
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=N2)CC1)C1=NNN=N1	REAL000000003280	1	54	0.0	-14.81	427.28	4.01	-10.80
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000003281	1	55	0.0	-12.42	429.61	4.61	-7.82
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000003282	1	48	0.0	-21.91	409.17	-2.51	-24.42
CCCC(NC(=O)C1=CC=NN1C1CCCC1)C1=NNN=N1	REAL000000003283	1	43	0.0	-10.63	342.64	4.31	-6.32
CCCC(NC(=O)CCC(=O)N1CCN(C2=NC=CC=N2)CC1)C1=NNN=N1	REAL000000003284	1	53	0.0	-15.67	423.65	4.25	-11.41
CCCC(NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=NNN=N1	REAL000000003285	1	39	0.0	-13.41	329.95	2.05	-11.37
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=NNN=N1	REAL000000003286	1	44	0.0	-14.27	365.81	-0.03	-14.29
CCCC(NC(=O)C1=CC=C(C2=NNC(CC)=N2)C=C1)C1=NNN=N1	REAL000000003287	1	45	0.0	-15.08	376.21	5.01	-10.07
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003288	1	35	0.0	-12.18	327.22	4.94	-7.23
CCCC(NC(=O)C#CC1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000003289	1	38	0.0	-12.47	335.58	3.68	-8.79
CCCC(NC(=O)C=CC1=CC=CC(CO)=C1)C1=NNN=N1	REAL000000003290	1	41	0.0	-10.31	337.84	1.84	-8.47
CCCC(NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=NNN=N1	REAL000000003291	1	45	0.0	-11.62	368.51	5.96	-5.65
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2)=C1)C1=NNN=N1	REAL000000003292	1	46	0.0	-12.57	376.55	4.61	-7.97
CCCC(NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=NNN=N1	REAL000000003293	1	43	0.0	-14.66	373.29	5.01	-9.65
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003294	1	36	0.0	-8.64	325.95	4.82	-3.83
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000003295	1	42	0.0	-11.62	347.11	5.30	-6.32
CCCC(NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000003296	1	42	0.0	-11.47	363.83	5.82	-5.66
CCCC(NC(=O)C(CC)CC1=CC=CC=C1Br)C1=NNN=N1	REAL000000003297	1	45	0.0	-7.15	359.59	6.75	-0.40
CCCC(NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=NNN=N1	REAL000000003298	1	47	0.0	-13.44	383.04	5.15	-8.29
CCCC(NC(=O)C1=CC=NN1C(CC)CC)C1=NNN=N1	REAL000000003299	1	45	0.0	-10.58	358.30	4.48	-6.10
CCCC(NC(=O)CC1=CC(OC)=CC=C1Br)C1=NNN=N1	REAL000000003300	1	40	0.0	-11.65	349.53	4.11	-7.53
CCCOC1=CC=CC(CC(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000003301	1	46	0.0	-12.62	375.21	5.38	-7.24
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000003302	1	43	0.0	-10.14	383.50	4.65	-5.48
CCCC(NC(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=NNN=N1	REAL000000003303	1	52	0.0	-11.75	414.13	8.72	-3.03
CCCC(NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=NNN=N1	REAL000000003304	1	40	0.0	-15.72	348.64	4.35	-11.37
CCCC(NC(=O)CNS(=O)(=O)CCCOC)C1=NNN=N1	REAL000000003305	1	44	0.0	-22.29	375.47	-2.41	-24.70
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=NNN=N1	REAL000000003306	1	36	0.0	-9.56	332.70	5.28	-4.29
CCCC(NC(=O)C1=NN(C(CC)CC)C=C1)C1=NNN=N1	REAL000000003307	1	45	0.0	-11.47	361.95	4.34	-7.13
CCCC(NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=NNN=N1	REAL000000003308	1	47	0.0	-19.54	397.22	4.63	-14.91
CCCC(NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=NNN=N1	REAL000000003309	1	44	0.0	-16.51	370.17	5.82	-10.69
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=NNN=N1	REAL000000003310	1	45	0.0	-11.53	368.51	5.97	-5.56
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(F)=C1)C1=NNN=N1	REAL000000003311	1	39	0.0	-13.03	337.01	4.34	-8.69
CCCC(NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=NNN=N1	REAL000000003312	1	45	0.0	-14.95	372.17	0.43	-14.52
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=NNN=N1	REAL000000003313	1	44	0.0	-14.02	360.99	3.17	-10.85
CCCC(NC(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=NNN=N1	REAL000000003314	1	54	0.0	-12.62	405.05	3.54	-9.08
CCCC(NC(=O)C1=CC=NC(OC(C)C)=C1)C1=NNN=N1	REAL000000003315	1	42	0.0	-9.60	339.90	1.91	-7.69
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1)C1=NNN=N1	REAL000000003316	1	40	0.0	-13.02	350.33	3.76	-9.26
CCCC(NC(=O)C1=NC=C(C#N)C=C1Cl)C1=NNN=N1	REAL000000003318	1	33	0.0	-10.71	308.33	2.84	-7.88
CCCC(NC(=O)COC1=C2N=CC=CC2=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000003319	1	44	0.0	-21.87	377.24	5.22	-16.65
CCCC(NC(=O)CCC(=O)NC1=NN=C(CC(C)C)S1)C1=NNN=N1	REAL000000003320	1	50	0.0	-18.35	421.96	3.67	-14.68
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=N1)C1=NNN=N1	REAL000000003321	1	39	0.0	-10.01	326.65	-0.08	-10.09
CCCC(NC(=O)CC1=CC=C(C)C=C1Cl)C1=NNN=N1	REAL000000003322	1	39	0.0	-11.85	338.00	5.43	-6.42
CCCC(NC(=O)C1=CC(I)=CC=C1F)C1=NNN=N1	REAL000000003323	1	33	0.0	-8.14	302.88	4.50	-3.65
CCCC(NC(=O)C1=CC=NC(Br)=C1)C1=NNN=N1	REAL000000003324	1	32	0.0	-12.64	294.38	2.39	-10.25
CCCC(NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=NNN=N1	REAL000000003325	1	42	0.0	-12.49	359.51	3.55	-8.93
CCCC(NC(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NNN=N1	REAL000000003326	1	46	0.0	-10.75	399.16	8.09	-2.66
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=NNN=N1	REAL000000003327	1	40	0.0	-16.52	346.32	3.09	-13.43
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=NNN=N1	REAL000000003328	1	40	0.0	-20.45	346.49	3.08	-17.37
CCCC(NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=NNN=N1	REAL000000003329	1	41	0.0	-18.37	341.99	2.93	-15.44
CCCC(NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=NNN=N1	REAL000000003330	1	47	0.0	-11.83	380.69	3.03	-8.81
CCCC(NC(=O)CSC1=CC=C(O)C=C1)C1=NNN=N1	REAL000000003331	1	38	0.0	-13.85	331.89	1.94	-11.91
CCCC(NC(=O)CC1=CC=C(F)C=C1Cl)C1=NNN=N1	REAL000000003332	1	36	0.0	-10.99	323.00	4.82	-6.17
CCCC(NC(=O)CNS(=O)(=O)CCOCC)C1=NNN=N1	REAL000000003333	1	44	0.0	-19.13	375.83	-2.21	-21.35
CCCC(NC(=O)CC1=CC(F)=C(F)C=C1F)C1=NNN=N1	REAL000000003334	1	36	0.0	-12.10	320.51	4.50	-7.59
CCCC(NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=NNN=N1	REAL000000003335	1	39	0.0	-9.68	342.77	4.74	-4.94
CCCC(NC(=O)COC1=CC=C(OC)C(C)=C1)C1=NNN=N1	REAL000000003336	1	44	0.0	-15.32	360.83	4.28	-11.04
CCCC(NC(=O)C(CC)OC1CCCCC1)C1=NNN=N1	REAL000000003337	1	49	0.0	-11.22	378.48	5.91	-5.31
CCCC(NC(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=NNN=N1	REAL000000003338	1	43	0.0	-21.29	377.48	5.84	-15.45
CCCC(NC(=O)CCCC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000003339	1	42	0.0	-12.17	366.55	6.53	-5.64
CCCC(NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000003340	1	42	0.0	-16.12	369.07	-3.12	-19.24
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NNN=N1	REAL000000003341	1	53	0.0	-12.63	420.39	6.44	-6.20
CCCC(NC(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003342	1	57	0.0	-12.18	434.70	4.61	-7.57
CCCC(NC(=O)CSC1=C2C=CC=CC2=CC=N1)C1=NNN=N1	REAL000000003343	1	42	0.0	-10.20	355.04	5.09	-5.11
CCCC(NC(=O)CCC(=O)NC1=NN=C(C(C)C)S1)C1=NNN=N1	REAL000000003345	1	47	0.0	-18.47	403.03	2.90	-15.57
CCCC(NC(=O)C=CC1=NN=C(C(C)C)O1)C1=NNN=N1	REAL000000003346	1	41	0.0	-12.06	349.71	-0.68	-12.74
CCCC(NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=NNN=N1	REAL000000003347	1	51	0.0	-10.66	401.82	5.32	-5.34
CCCC(NC(=O)C1=C(Br)SC(C)=C1)C1=NNN=N1	REAL000000003348	1	33	0.0	-7.65	301.36	3.77	-3.89
CCCC(NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000003349	1	37	0.0	-7.43	338.21	5.32	-2.11
CCCC(NC(=O)C1=CC=C2SC=CC2=C1)C1=NNN=N1	REAL000000003350	1	36	0.0	-7.98	307.39	4.69	-3.30
CCCC(NC(=O)C(C)OC1CCCCCC1)C1=NNN=N1	REAL000000003351	1	49	0.0	-12.14	370.71	5.57	-6.57
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003352	1	43	0.0	-12.32	365.34	3.24	-9.09
CCCC(NC(=O)C1=CC=CC(I)=C1C)C1=NNN=N1	REAL000000003353	1	36	0.0	-10.43	317.49	5.30	-5.12
CCCC(NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=NNN=N1	REAL000000003354	1	47	0.0	-13.69	381.23	0.73	-12.96
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=NNN=N1	REAL000000003355	1	46	0.0	-15.38	391.16	5.97	-9.41
CCCC(NC(=O)CCCC1=CC=CC=C1Br)C1=NNN=N1	REAL000000003356	1	42	0.0	-9.23	354.26	6.04	-3.20
CCCC(NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003357	1	52	0.0	-10.15	397.95	2.28	-7.87
CCCC(NC(=O)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000003358	1	62	0.0	-14.64	459.69	6.40	-8.24
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000003359	1	45	0.0	-21.00	393.58	1.01	-20.00
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C#N)C=C2C)C=C1)C1=NNN=N1	REAL000000003360	1	48	0.0	-10.50	399.46	7.24	-3.27
CCCC(NC(=O)CC1=C(OC)C=CC=C1OC)C1=NNN=N1	REAL000000003361	1	44	0.0	-13.47	358.67	3.10	-10.37
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003362	1	43	0.0	-18.20	360.40	5.50	-12.70
CCCC(NC(=O)C1=CC=C(Cl)C=C1Br)C1=NNN=N1	REAL000000003363	1	33	0.0	-10.56	310.71	4.79	-5.76
CCCC(NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000003364	1	48	0.0	-11.27	378.55	6.66	-4.61
CCCC(NC(=O)C1=CN=CC(OC(C)C)=C1)C1=NNN=N1	REAL000000003365	1	42	0.0	-10.31	342.24	2.75	-7.56
CCCC(NC(=O)COC1=C(C)N(C)N=C1C)C1=NNN=N1	REAL000000003366	1	43	0.0	-16.47	360.10	3.21	-13.25
CCCC(NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=NNN=N1	REAL000000003367	1	38	0.0	-14.27	323.48	4.51	-9.76
CCCC(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=NNN=N1	REAL000000003368	1	46	0.0	-13.12	360.80	-2.47	-15.59
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=NNN=N1	REAL000000003369	1	39	0.0	-13.73	333.70	3.00	-10.73
CCCC(NC(=O)CC1=CC2=C(C=CC3=CC=CC=C23)O1)C1=NNN=N1	REAL000000003370	1	45	0.0	-17.37	376.86	7.13	-10.25
CCCC(NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003371	1	48	0.0	-16.64	387.38	6.35	-10.29
CCCC(NC(=O)CCCCCOC1CCCC(C)C1)C1=NNN=N1	REAL000000003372	1	58	0.0	-11.57	443.03	7.18	-4.40
CCCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003373	1	50	0.0	-13.27	405.69	-1.04	-14.31
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=NNN=N1	REAL000000003374	1	47	0.0	-12.57	373.28	2.95	-9.62
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=NNN=N1	REAL000000003375	1	43	0.0	-13.79	369.91	6.21	-7.58
CCCC(NC(=O)C(O)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000003376	1	43	0.0	-11.71	355.04	3.83	-7.88
CCCC(NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000003377	1	37	0.0	-9.53	317.28	2.99	-6.54
CCCC(NC(=O)C(O)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000003378	1	41	0.0	-11.42	339.45	1.70	-9.72
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=NNN=N1	REAL000000003379	1	35	0.0	-9.20	311.14	4.38	-4.82
CCCC(NC(=O)CC1=CC=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000003380	1	42	0.0	-16.63	357.17	4.98	-11.65
CCCC(NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=NNN=N1	REAL000000003381	1	43	0.0	-13.23	353.22	2.89	-10.34
CCCC(NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=NNN=N1	REAL000000003382	1	45	0.0	-11.48	354.29	3.85	-7.63
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000003383	1	59	0.0	-16.17	447.24	6.01	-10.17
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=NNN=N1	REAL000000003384	1	55	0.0	-18.52	433.10	8.13	-10.39
CCCC(NC(=O)C1=CC=C(F)C(SC)=C1)C1=NNN=N1	REAL000000003385	1	37	0.0	-11.93	323.66	4.73	-7.20
CCCC(NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000003386	1	37	0.0	-10.27	343.92	3.40	-6.87
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=NNN=N1	REAL000000003388	1	48	0.0	-13.26	397.79	5.46	-7.79
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=NNN=N1	REAL000000003389	1	45	0.0	-11.60	375.25	5.02	-6.58
CCCC(NC(=O)C1=CC=C2N=S=NC2=C1)C1=NNN=N1	REAL000000003392	1	34	0.0	-13.70	301.83	1.99	-11.71
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=NNN=N1	REAL000000003393	1	38	0.0	-19.89	336.40	-1.31	-21.20
CCCC(NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=NNN=N1	REAL000000003394	1	38	0.0	-11.94	339.52	2.77	-9.17
CCCC(NC(=O)COC1=CC=CC=C1Br)C1=NNN=N1	REAL000000003395	1	37	0.0	-15.98	331.69	4.88	-11.10
CCCC(NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000003396	1	46	0.0	-11.26	364.50	4.46	-6.80
CCCC(NC(=O)C1=CC=CC(Br)=N1)C1=NNN=N1	REAL000000003397	1	32	0.0	-9.67	296.41	2.43	-7.24
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=NNN=N1	REAL000000003399	1	42	0.0	-13.02	361.84	6.06	-6.95
CCCC(NC(=O)C=CC1=CC=C(O)C(OCC)=C1)C1=NNN=N1	REAL000000003400	1	45	0.0	-13.89	374.31	2.95	-10.95
CCCC(NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=NNN=N1	REAL000000003401	1	38	0.0	-13.64	344.19	2.57	-11.07
CCCC(NC(=O)C1=CC(C)=C(Br)C=C1C)C1=NNN=N1	REAL000000003402	1	39	0.0	-9.17	333.24	5.53	-3.64
CCCC(NC(=O)C=CC1=CC=C(F)C(OC)=C1)C1=NNN=N1	REAL000000003403	1	41	0.0	-13.77	347.95	4.23	-9.54
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000003404	1	42	0.0	-20.78	367.48	5.86	-14.92
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=NNN=N1	REAL000000003405	1	57	0.0	-13.81	434.13	5.99	-7.82
CCCC(NC(=O)CC(O)C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000003406	1	40	0.0	-11.35	329.88	2.51	-8.84
CCCC(NC(=O)C1=CN=C(C(=O)OC)C=N1)C1=NNN=N1	REAL000000003407	1	37	0.0	-9.80	325.56	0.69	-9.10
CCCC(NC(=O)C1=CC=CN2C(=O)NN=C12)C1=NNN=N1	REAL000000003408	1	36	0.0	-13.01	301.32	1.99	-11.02
CCCC(NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000003409	1	43	0.0	-22.37	371.95	1.76	-20.61
CCCC(NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=NNN=N1	REAL000000003410	1	38	0.0	-10.65	325.64	0.41	-10.24
CCCC(NC(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003411	1	53	0.0	-13.77	421.26	4.84	-8.93
CCCC(NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=NNN=N1	REAL000000003412	1	35	0.0	-15.21	323.25	3.12	-12.09
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000003413	1	51	0.0	-11.53	415.28	6.98	-4.56
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=NNN=N1	REAL000000003414	1	40	0.0	-7.96	343.26	4.26	-3.70
CCCC(NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000003415	1	42	0.0	-9.55	360.42	6.22	-3.33
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1CC)C1=NNN=N1	REAL000000003416	1	45	0.0	-16.78	372.73	2.62	-14.16
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=NNN=N1	REAL000000003417	1	45	0.0	-17.10	371.91	2.44	-14.66
CCCC(NC(=O)C1=CC2=CC(Br)=CC(C)=C2O1)C1=NNN=N1	REAL000000003418	1	39	0.0	-8.82	351.65	5.33	-3.49
CCCC(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=NNN=N1	REAL000000003419	1	59	0.0	-11.72	457.61	1.21	-10.51
CCCC(NC(=O)C1=CC(OCCOC)=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000003420	1	49	0.0	-12.47	405.49	3.67	-8.80
CCCC(NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=NNN=N1	REAL000000003421	1	43	0.0	-11.54	373.37	6.83	-4.71
CCCC(NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000003422	1	40	0.0	-7.28	334.40	5.61	-1.67
CCCC(NC(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000003423	1	42	0.0	-13.58	374.10	5.39	-8.19
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=NNN=N1	REAL000000003424	1	39	0.0	-11.49	330.02	4.23	-7.26
CCCC(NC(=O)C1COC2=CC=C(F)C=C2C1)C1=NNN=N1	REAL000000003425	1	41	0.0	-11.10	338.77	4.24	-6.86
CCCC(NC(=O)C1=CC=C(F)C(C(=O)CC)=C1)C1=NNN=N1	REAL000000003426	1	41	0.0	-14.89	345.31	5.02	-9.87
CCCC(NC(=O)C1=CN=C2C(=C1CC)C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000003427	1	50	0.0	-13.18	395.99	4.68	-8.50
CCCC(NC(=O)C1=CC=C(C(C)(C)CC)C=C1)C1=NNN=N1	REAL000000003428	1	48	0.0	-7.01	360.89	6.15	-0.86
CCCC(NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=NNN=N1	REAL000000003429	1	33	0.0	-6.30	306.63	4.40	-1.90
CCCC(NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=NNN=N1	REAL000000003430	1	35	0.0	-16.21	323.35	3.16	-13.05
CCCC(NC(=O)C1=CSC(C2CCCO2)=N1)C1=NNN=N1	REAL000000003431	1	40	0.0	-10.63	343.72	1.66	-8.97
CCCC(NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000003432	1	36	0.0	-15.88	324.61	-0.16	-16.04
CCCC(NC(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003433	1	38	0.0	-12.09	339.72	5.36	-6.73
CCCC(NC(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000003434	1	45	0.0	-9.02	391.50	7.34	-1.68
CCCC(NC(=O)C1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000003435	1	35	0.0	-8.98	305.96	2.81	-6.18
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC)C1=NNN=N1	REAL000000003436	1	43	0.0	-10.96	361.06	4.77	-6.19
CCCC(NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=NNN=N1	REAL000000003437	1	48	0.0	-14.82	379.85	4.30	-10.52
CCCC(NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=NNN=N1	REAL000000003438	1	42	0.0	-14.52	362.62	3.43	-11.10
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=NNN=N1	REAL000000003441	1	44	0.0	-14.32	379.63	5.19	-9.14
CCCC(NC(=O)C1=NN(CCO)C(=O)CC1)C1=NNN=N1	REAL000000003442	1	41	0.0	-11.70	342.57	-1.56	-13.26
CCCC(NC(=O)C1CCC(C(=O)OC)CC1)C1=NNN=N1	REAL000000003443	1	45	0.0	-9.89	351.01	4.20	-5.68
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000003444	1	38	0.0	-14.28	327.66	2.52	-11.75
CCCC(NC(=O)CCS(=O)(=O)N(C)C)C1=NNN=N1	REAL000000003445	1	40	0.0	-15.35	340.27	-0.55	-15.90
CCCC(NC(=O)CCC(=O)N1CCC(O)CC1)C1=NNN=N1	REAL000000003446	1	47	0.0	-11.74	364.98	-0.00	-11.74
CCCC(NC(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=NNN=N1	REAL000000003447	1	46	0.0	-22.11	389.29	0.90	-21.21
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=NNN=N1	REAL000000003448	1	45	0.0	-14.10	367.35	7.26	-6.84
CCCC(NC(=O)C1=C2C=CC=C(S(N)(=O)=O)C2=CC=N1)C1=NNN=N1	REAL000000003449	1	43	0.0	-15.15	365.36	-0.86	-16.01
CCCC(NC(=O)C1=CC2=C(C=C1O)OCO2)C1=NNN=N1	REAL000000003453	1	37	0.0	-12.17	312.58	0.86	-11.31
CCCC(NC(=O)C1=CC=C(C(C)C)C=C1O)C1=NNN=N1	REAL000000003455	1	43	0.0	-11.93	346.70	4.12	-7.81
CCCC(NC(=O)C1=CC=C(C)N=C1Br)C1=NNN=N1	REAL000000003456	1	35	0.0	-10.63	303.58	2.69	-7.93
CCCCS(=O)(=O)NCC(=O)NC(CCC)C1=NNN=N1	REAL000000003457	1	43	0.0	-20.07	363.30	-0.68	-20.76
CCCC(NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=NNN=N1	REAL000000003458	1	39	0.0	-19.07	331.08	3.48	-15.59
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)OC)C1=NNN=N1	REAL000000003459	1	45	0.0	-10.59	362.75	5.21	-5.38
CCCC(NC(=O)C1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000003460	1	36	0.0	-11.53	315.40	4.96	-6.57
CCCC(NC(=O)C1=CC(NC(=O)C2=C(C)ON=C2)=CC=C1O)C1=NNN=N1	REAL000000003461	1	47	0.0	-17.03	395.30	2.47	-14.57
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1O)C1=NNN=N1	REAL000000003462	1	43	0.0	-11.54	346.71	4.12	-7.41
CCCC(NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=NNN=N1	REAL000000003463	1	50	0.0	-13.62	410.86	7.42	-6.20
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=NNN=N1	REAL000000003464	1	47	0.0	-10.30	382.18	6.19	-4.12
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1O)C1=NNN=N1	REAL000000003465	1	41	0.0	-11.17	329.96	2.19	-8.98
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NNN=N1	REAL000000003466	1	40	0.0	-11.87	355.84	5.33	-6.53
CCCC(NC(=O)CNC1=CC=C(C#N)C=N1)C1=NNN=N1	REAL000000003467	1	38	0.0	-16.18	330.73	2.11	-14.07
CCCC(NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=NNN=N1	REAL000000003468	1	42	0.0	-13.64	345.02	3.30	-10.35
CCCC(NC(=O)C1=CC=NC2=C(C(=O)OCC)C=NN21)C1=NNN=N1	REAL000000003469	1	44	0.0	-16.38	376.34	4.50	-11.88
CCCC(NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=NNN=N1	REAL000000003470	1	39	0.0	-19.99	334.87	-0.36	-20.35
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000003472	1	39	0.0	-16.55	334.15	5.35	-11.20
CCCC(NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NNN=N1	REAL000000003473	1	51	0.0	-12.10	409.89	8.31	-3.79
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC)C1=NNN=N1	REAL000000003474	1	42	0.0	-14.64	349.81	4.70	-9.94
CCCC(NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=NNN=N1	REAL000000003475	1	44	0.0	-16.13	360.73	2.18	-13.95
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=NNN=N1	REAL000000003476	1	38	0.0	-17.02	352.65	-0.80	-17.82
CCCC(NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=NNN=N1	REAL000000003477	1	45	0.0	-10.91	389.72	5.80	-5.11
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1C)C1=NNN=N1	REAL000000003478	1	39	0.0	-9.76	326.36	4.79	-4.96
CCCC(NC(=O)C(C)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000003479	1	39	0.0	-11.19	339.58	5.50	-5.69
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=NNN=N1	REAL000000003480	1	49	0.0	-11.99	395.38	6.34	-5.65
CCCC(NC(=O)CCC1=NC(CSC)=NO1)C1=NNN=N1	REAL000000003481	1	41	0.0	-12.97	360.04	1.78	-11.19
CCCC(NC(=O)C1=CC=C2C=C(Br)C=CC2=C1)C1=NNN=N1	REAL000000003482	1	39	0.0	-11.01	345.05	6.51	-4.50
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=NNN=N1	REAL000000003483	1	50	0.0	-17.91	400.02	2.67	-15.24
CCCC(NC(=O)C1OCCC2=CC=CC=C21)C1=NNN=N1	REAL000000003484	1	41	0.0	-7.38	321.33	3.62	-3.76
CCCC(NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=NNN=N1	REAL000000003485	1	44	0.0	-11.26	372.39	4.49	-6.77
CCCC(NC(=O)CC1=CC=CC(OCC(=O)NC)=C1)C1=NNN=N1	REAL000000003486	1	47	0.0	-19.10	385.21	2.87	-16.23
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=NNN=N1	REAL000000003487	1	39	0.0	-20.38	342.94	1.28	-19.10
CCCC(NC(=O)CCCC1(C)NC(=O)NC1=O)C1=NNN=N1	REAL000000003488	1	44	0.0	-17.61	357.78	-1.27	-18.88
CCCC(NC(=O)C1=CC=CC(OC(C)C)=N1)C1=NNN=N1	REAL000000003489	1	42	0.0	-7.65	341.94	2.03	-5.63
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=N2)=C1)C1=NNN=N1	REAL000000003490	1	46	0.0	-15.34	376.37	5.36	-9.98
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=NNN=N1	REAL000000003491	1	45	0.0	-15.53	359.15	6.77	-8.77
CCCC(NC(=O)C1=NC(Cl)=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000003492	1	38	0.0	-10.39	335.74	4.55	-5.84
CCCOC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1OCCC	REAL000000003493	1	56	0.0	-12.41	440.62	6.68	-5.73
CCCC(NC(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003494	1	54	0.0	-10.34	417.95	5.42	-4.92
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C(C)=C1)C1=NNN=N1	REAL000000003495	1	53	0.0	-12.05	417.17	4.80	-7.25
CCCC(NC(=O)CC1=CC(Br)=CC=C1F)C1=NNN=N1	REAL000000003496	1	36	0.0	-11.77	329.11	4.98	-6.78
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Br)C1=NNN=N1	REAL000000003497	1	36	0.0	-10.56	337.30	5.35	-5.21
CCCC(NC(=O)CC1=CC=CC=C1I)C1=NNN=N1	REAL000000003498	1	36	0.0	-10.86	325.63	5.23	-5.63
CCCC(NC(=O)CC1=CC(F)=CC=C1Br)C1=NNN=N1	REAL000000003499	1	36	0.0	-10.95	326.97	4.91	-6.04
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=NNN=N1	REAL000000003500	1	41	0.0	-15.50	353.51	2.89	-12.60
CCCC(NC(=O)CSC1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000003501	1	37	0.0	-13.23	342.17	5.42	-7.81
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NNN=N1	REAL000000003502	1	56	0.0	-15.38	446.93	5.74	-9.63
CCCC(NC(=O)C1CCCC2=C1C=CS2)C1=NNN=N1	REAL000000003503	1	40	0.0	-7.62	325.52	4.66	-2.96
CCCC(NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=NNN=N1	REAL000000003504	1	45	0.0	-20.71	377.71	3.96	-16.75
CCCC(NC(=O)CC1=CC=CC(OCCOC)=C1)C1=NNN=N1	REAL000000003505	1	47	0.0	-11.98	380.15	3.51	-8.47
CCCC(NC(=O)C1=CC=CC=C1N=NC1=CC=C(N(C)C)C=C1)C1=NNN=N1	REAL000000003506	1	53	0.0	-18.55	429.81	6.68	-11.88
CCCC(NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=NNN=N1	REAL000000003507	1	43	0.0	-8.30	359.04	2.41	-5.88
CCCCN1N=CC(C(=O)NC(CCC)C2=NNN=N2)=C1C	REAL000000003508	1	45	0.0	-11.52	363.11	4.30	-7.22
CCCC(NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003509	1	36	0.0	-8.77	322.36	4.74	-4.03
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=NNN=N1	REAL000000003510	1	41	0.0	-16.14	342.18	5.37	-10.78
CCCC(NC(=O)C1=CC=C2N=C(C)C=CC2=C1)C1=NNN=N1	REAL000000003511	1	41	0.0	-12.89	340.41	4.65	-8.24
CCCC(NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=NNN=N1	REAL000000003512	1	50	0.0	-16.39	404.22	5.96	-10.43
CCCC(NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=NNN=N1	REAL000000003513	1	45	0.0	-15.93	375.32	1.80	-14.13
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003514	1	38	0.0	-10.34	344.63	5.32	-5.01
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=NNN=N1	REAL000000003515	1	33	0.0	-8.78	315.76	4.78	-4.00
CCCC(NC(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=NNN=N1	REAL000000003516	1	45	0.0	-12.48	387.28	7.19	-5.29
CCCC(NC(=O)CCCC1=C(C)C=CS1)C1=NNN=N1	REAL000000003517	1	42	0.0	-12.22	354.03	5.59	-6.63
C=CC(=O)N1CCC(C(=O)NC(CCC)C2=NNN=N2)CC1	REAL000000003518	1	44	0.0	-14.85	342.71	2.90	-11.95
CCCC(NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=NNN=N1	REAL000000003519	1	49	0.0	-14.09	378.57	4.19	-9.89
CCCC(NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000003520	1	40	0.0	-12.08	348.36	4.11	-7.97
CCCC(NC(=O)C1=CN=C2C(=C1C)C(=O)N(C)C(=O)N2C)C1=NNN=N1	REAL000000003521	1	47	0.0	-13.97	376.45	4.03	-9.94
CCCC(NC(=O)C(C)CSCC1=CC=CC=C1)C1=NNN=N1	REAL000000003522	1	46	0.0	-9.89	385.86	7.09	-2.81
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=NNN=N1	REAL000000003533	1	39	0.0	-9.57	353.43	3.78	-5.80
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000003534	1	49	0.0	-14.68	393.02	5.39	-9.29
CCCC(NC(=O)CC1=CSC2=NC=CN12)C1=NNN=N1	REAL000000003535	1	36	0.0	-18.49	319.28	3.95	-14.54
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000003536	1	51	0.0	-13.46	399.54	3.36	-10.11
CCCC(NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=NNN=N1	REAL000000003537	1	40	0.0	-16.74	335.69	2.53	-14.21
CCCC(NC(=O)C1CCC2=NN=C(C)N2C1)C1=NNN=N1	REAL000000003538	1	42	0.0	-17.58	337.71	4.34	-13.25
CCCC(NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003539	1	49	0.0	-10.39	393.39	7.52	-2.86
CCCC(NC(=O)CC1=CC=C(SCC)C=C1)C1=NNN=N1	REAL000000003540	1	43	0.0	-12.56	364.04	6.21	-6.35
CCCC(NC(=O)CC1=CC=C(Br)C(F)=C1)C1=NNN=N1	REAL000000003541	1	36	0.0	-12.92	329.37	5.00	-7.93
CCCC(NC(=O)C1=CC=CC(F)=C1I)C1=NNN=N1	REAL000000003542	1	33	0.0	-9.23	297.80	4.45	-4.78
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000003543	1	54	0.0	-15.29	419.43	3.87	-11.42
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=NNN=N1	REAL000000003544	1	37	0.0	-11.31	332.47	4.56	-6.75
CCCC(NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000003545	1	46	0.0	-17.10	379.79	3.40	-13.70
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1C)C1=NNN=N1	REAL000000003546	1	58	0.0	-13.25	449.97	7.83	-5.42
CCCC(NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=NNN=N1	REAL000000003547	1	50	0.0	-14.34	399.26	6.66	-7.69
CCCC(NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=NNN=N1	REAL000000003548	1	52	0.0	-8.66	381.75	6.50	-2.17
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NN1)C1=NNN=N1	REAL000000003549	1	44	0.0	-11.08	361.52	2.67	-8.41
CCCC(NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003550	1	51	0.0	-7.07	397.77	7.48	0.41
CCCC(NC(=O)C1=CC(C)=NC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000003551	1	44	0.0	-9.64	387.90	6.11	-3.53
CCCC(NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000003552	1	42	0.0	-9.42	341.41	5.34	-4.08
CCCC(NC(=O)CSCC1=CSC=N1)C1=NNN=N1	REAL000000003553	1	36	0.0	-14.92	331.42	2.68	-12.24
CCCC(NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000003554	1	40	0.0	-14.63	351.73	4.66	-9.97
CCCC(NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=NNN=N1	REAL000000003555	1	42	0.0	-18.28	359.94	-1.07	-19.35
CCCC(NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=NNN=N1	REAL000000003556	1	44	0.0	-12.36	349.29	4.69	-7.67
CCCC(NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=NNN=N1	REAL000000003557	1	44	0.0	-19.37	375.69	1.93	-17.44
CCCC(NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003558	1	35	0.0	-10.76	329.51	3.34	-7.41
CCCC(NC(=O)CCC(C)C1=CC=CC=C1)C1=NNN=N1	REAL000000003559	1	45	0.0	-11.76	359.53	6.27	-5.49
CCCC(NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=NNN=N1	REAL000000003560	1	42	0.0	-12.34	360.24	6.24	-6.10
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000003561	1	50	0.0	-15.75	390.70	4.74	-11.00
CCCC(NC(=O)CC(CC)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003562	1	49	0.0	-12.78	387.26	5.49	-7.29
CCCC(NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=NNN=N1	REAL000000003563	1	36	0.0	-23.09	309.02	1.62	-21.47
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=NNN=N1	REAL000000003564	1	39	0.0	-10.99	374.46	5.85	-5.14
CCCC(NC(=O)CC1CCC(C(C)(C)C)CC1)C1=NNN=N1	REAL000000003565	1	54	0.0	-9.17	383.96	6.41	-2.76
CCCC(NC(=O)COC1=CC(C)=CC=C1F)C1=NNN=N1	REAL000000003566	1	40	0.0	-13.96	331.72	4.54	-9.42
CCCC(NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=NNN=N1	REAL000000003567	1	43	0.0	-13.92	365.43	5.92	-8.01
CCCC(NC(=O)COC1=CC=C2CCCCC2=C1)C1=NNN=N1	REAL000000003568	1	47	0.0	-14.31	374.02	6.73	-7.59
CCCC(NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=NNN=N1	REAL000000003569	1	53	0.0	-10.82	409.26	6.91	-3.91
CCCC(NC(=O)C1=CC=C(N(C)C)C=C1F)C1=NNN=N1	REAL000000003570	1	41	0.0	-14.96	333.08	4.14	-10.82
CCCC(NC(=O)CC1CSCCS1)C1=NNN=N1	REAL000000003571	1	38	0.0	-11.47	324.75	4.19	-7.27
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=NNN=N1	REAL000000003572	1	44	0.0	-14.84	364.87	-0.16	-15.00
CCCC(NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=NNN=N1	REAL000000003573	1	36	0.0	-15.10	322.16	-0.77	-15.87
CCCC(NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=NNN=N1	REAL000000003574	1	43	0.0	-8.10	343.29	4.61	-3.50
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=NN1)C1=NNN=N1	REAL000000003575	1	44	0.0	-12.87	368.63	3.00	-9.87
CCCC(NC(=O)CC1=CNC2=CC(Br)=CC=C12)C1=NNN=N1	REAL000000003576	1	40	0.0	-13.52	355.54	5.01	-8.52
CCCC(NC(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=NNN=N1	REAL000000003577	1	39	0.0	-14.42	362.44	3.37	-11.05
CCCC(NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=NNN=N1	REAL000000003578	1	39	0.0	-12.02	355.48	6.18	-5.84
CCCC(NC(=O)CC1=C(C)N(C2=CN=CC3=NN=NN32)N=C1C)C1=NNN=N1	REAL000000003579	1	49	0.0	-19.15	408.17	3.29	-15.86
CCCC(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=NNN=N1	REAL000000003580	1	46	0.0	-26.75	372.49	0.10	-26.65
CCCC(NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=NNN=N1	REAL000000003581	1	48	0.0	-8.66	373.50	4.49	-4.17
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Br)C1=NNN=N1	REAL000000003582	1	33	0.0	-6.40	299.50	4.09	-2.31
CCCC(NC(=O)CCC1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000003583	1	39	0.0	-11.70	335.62	5.24	-6.46
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=NNN=N1	REAL000000003584	1	52	0.0	-11.00	412.25	6.68	-4.33
CCCC(NC(=O)CCOC1=CC=CC=C1C(C)C)C1=NNN=N1	REAL000000003585	1	49	0.0	-10.88	390.84	6.00	-4.87
CCCC(NC(=O)C1=C2CCCCC2=NN1C)C1=NNN=N1	REAL000000003586	1	43	0.0	-11.97	346.42	3.71	-8.26
CCCC(NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=NNN=N1	REAL000000003587	1	38	0.0	-11.27	340.29	2.69	-8.58
CCCC(NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000003588	1	45	0.0	-16.55	377.85	3.96	-12.59
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000003589	1	48	0.0	-15.52	392.96	1.80	-13.72
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003590	1	47	0.0	-14.48	376.26	2.94	-11.54
CCCC(NC(=O)C1=CC=C(OC)C(OC2CCCC2)=C1)C1=NNN=N1	REAL000000003591	1	51	0.0	-10.19	394.71	5.47	-4.72
CCCC(NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NNN=N1	REAL000000003592	1	42	0.0	-15.22	371.86	5.14	-10.08
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000003594	1	39	0.0	-19.18	361.21	5.84	-13.34
CCCC(NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=NNN=N1	REAL000000003595	1	41	0.0	-15.54	344.32	2.78	-12.76
CCCC(NC(=O)C1=C(C)N=C(NC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000003596	1	49	0.0	-14.92	405.97	3.20	-11.72
CCCC(NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000003597	1	50	0.0	-15.33	396.87	7.01	-8.32
CCCC(NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=NNN=N1	REAL000000003598	1	43	0.0	-10.79	374.43	3.47	-7.32
CCCC(NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=NNN=N1	REAL000000003599	1	42	0.0	-12.74	374.73	5.20	-7.54
CCCC(NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000003600	1	39	0.0	-6.89	326.17	4.78	-2.12
CCCC(NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=NNN=N1	REAL000000003601	1	37	0.0	-14.57	316.74	1.30	-13.27
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=NNN=N1	REAL000000003602	1	44	0.0	-14.58	372.98	5.33	-9.25
CCCC(NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=NNN=N1	REAL000000003603	1	39	0.0	-12.19	325.94	5.31	-6.88
CCCC(NC(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003604	1	36	0.0	-16.93	329.06	2.76	-14.17
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=NNN=N1	REAL000000003605	1	43	0.0	-11.26	366.85	5.82	-5.44
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC)C1=NNN=N1	REAL000000003606	1	45	0.0	-18.74	368.58	5.74	-13.00
CCCC(NC(=O)CC(=O)NCC(F)(F)F)C1=NNN=N1	REAL000000003607	1	36	0.0	-15.00	312.07	1.24	-13.76
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=NNN=N1	REAL000000003608	1	37	0.0	-7.40	333.86	5.20	-2.20
CCCC(NC(=O)C1=CC=C(SC2CC2)C=C1)C1=NNN=N1	REAL000000003609	1	41	0.0	-10.99	348.87	6.29	-4.71
CCCC(NC(=O)CCC1=CC(F)=CC=C1Br)C1=NNN=N1	REAL000000003610	1	39	0.0	-10.02	347.37	5.68	-4.34
CCCC(NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=NNN=N1	REAL000000003612	1	45	0.0	-7.51	377.17	3.04	-4.47
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=NNN=N1	REAL000000003613	1	45	0.0	-10.43	394.60	3.93	-6.50
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=NNN=N1	REAL000000003615	1	47	0.0	-18.21	383.67	5.34	-12.87
CCCC(NC(=O)C1=CC(C)=NN1C(CC)CC)C1=NNN=N1	REAL000000003616	1	48	0.0	-10.57	380.97	5.06	-5.51
CCCC(NC(=O)CC1=C(C)C=C(C)C=C1C)C1=NNN=N1	REAL000000003617	1	45	0.0	-11.73	357.85	6.04	-5.69
CCCC(NC(=O)C(C)CCCC1=CC=CC=C1)C1=NNN=N1	REAL000000003618	1	48	0.0	-7.60	375.76	6.90	-0.70
CCCC(NC(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=NNN=N1	REAL000000003619	1	41	0.0	-15.29	356.18	2.80	-12.49
CCCC(NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=NNN=N1	REAL000000003620	1	40	0.0	-10.75	339.59	5.92	-4.83
CCCC(NC(=O)C(C)CC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000003621	1	45	0.0	-9.81	360.49	6.27	-3.54
CCCC(NC(=O)CCC1=CC=C2NC=CC2=C1)C1=NNN=N1	REAL000000003623	1	43	0.0	-13.13	355.12	5.16	-7.97
CCCC(NC(=O)C(CC)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003624	1	46	0.0	-12.13	367.34	4.86	-7.27
CCCC(NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003625	1	44	0.0	-10.08	376.17	5.98	-4.10
CCCC(NC(=O)CCCC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000003626	1	48	0.0	-13.74	391.37	8.15	-5.59
CCCC(NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=NNN=N1	REAL000000003627	1	42	0.0	-17.94	343.39	2.60	-15.34
CCCC(NC(=O)C1=NN(C(C)CC)C(C)=C1)C1=NNN=N1	REAL000000003628	1	45	0.0	-11.97	363.11	4.13	-7.84
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NNN=N1	REAL000000003630	1	43	0.0	-9.40	368.94	5.44	-3.96
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C(F)=C2)S1)C1=NNN=N1	REAL000000003631	1	42	0.0	-10.43	374.29	5.30	-5.13
CCCC(NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=NNN=N1	REAL000000003632	1	40	0.0	-10.49	334.43	1.61	-8.89
CCCC(NC(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000003633	1	51	0.0	-12.01	425.52	5.66	-6.35
CCCC(NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=NNN=N1	REAL000000003634	1	38	0.0	-11.55	316.28	-2.53	-14.08
CCCC(NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=NNN=N1	REAL000000003635	1	34	0.0	-10.77	306.74	4.14	-6.63
CCCC(NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000003636	1	40	0.0	-12.60	364.11	3.87	-8.73
CCCC(NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003637	1	40	0.0	-13.30	347.37	3.36	-9.94
CCCC(NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=NNN=N1	REAL000000003638	1	45	0.0	-12.47	368.90	5.98	-6.48
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=NNN=N1	REAL000000003639	1	36	0.0	-7.99	321.78	4.84	-3.15
CCCC(NC(=O)C1=CC=C(CC)C(CC)=C1)C1=NNN=N1	REAL000000003640	1	45	0.0	-10.80	354.78	6.23	-4.57
CCCC(NC(=O)C(C)C1=C(C)N(CC(F)(F)F)N=C1C)C1=NNN=N1	REAL000000003641	1	48	0.0	-15.97	392.82	4.72	-11.24
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000003642	1	44	0.0	-12.61	383.16	7.00	-5.60
CCCC(NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=NNN=N1	REAL000000003643	1	39	0.0	-11.35	350.28	3.27	-8.08
CCCC(NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=NNN=N1	REAL000000003644	1	42	0.0	-11.57	352.36	2.64	-8.92
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=NNN=N1	REAL000000003645	1	45	0.0	-16.24	380.80	1.02	-15.22
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC(=O)N(C)C)C1=NNN=N1	REAL000000003646	1	50	0.0	-17.59	417.52	5.33	-12.26
CCCC(NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=NNN=N1	REAL000000003647	1	44	0.0	-18.98	377.46	5.10	-13.88
CCCC(NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000003648	1	38	0.0	-10.93	340.19	5.11	-5.83
CCCC(NC(=O)CC1=CC=CC=C1SC)C1=NNN=N1	REAL000000003649	1	40	0.0	-9.11	332.66	4.91	-4.20
CCCC(NC(=O)C1=CC=NC(OCCOC)=C1)C1=NNN=N1	REAL000000003650	1	43	0.0	-15.19	360.59	0.58	-14.61
CCCC(NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=NNN=N1	REAL000000003651	1	38	0.0	-20.42	323.48	4.17	-16.25
CCCC(NC(=O)CCC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000003652	1	53	0.0	-12.73	428.54	3.84	-8.89
CCCC(NC(=O)C1=CC=CC(C2=NN=C(COC)O2)=C1)C1=NNN=N1	REAL000000003653	1	45	0.0	-20.70	384.29	-0.64	-21.34
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=NNN=N1	REAL000000003655	1	40	0.0	-12.05	373.12	6.04	-6.01
CCCC(NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003656	1	45	0.0	-11.83	374.63	6.82	-5.01
CCCC(NC(=O)C(NS(=O)(=O)C1=CC=C(C)C=C1)C(C)O)C1=NNN=N1	REAL000000003657	1	51	0.0	-17.65	418.09	-0.83	-18.48
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000003658	1	43	0.0	-13.50	372.75	-0.31	-13.81
CCCC(NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=NNN=N1	REAL000000003659	1	39	0.0	-14.95	333.99	-0.06	-15.01
CCCC(NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=NNN=N1	REAL000000003660	1	38	0.0	-20.34	328.64	-0.44	-20.78
CCCC(NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=NNN=N1	REAL000000003661	1	38	0.0	-17.14	321.11	4.16	-12.98
CCCC(NC(=O)C1=CC(C)=C(OC)C(C)=C1)C1=NNN=N1	REAL000000003662	1	43	0.0	-11.18	351.22	4.58	-6.60
CCCC(NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=NNN=N1	REAL000000003664	1	49	0.0	-9.96	401.60	7.32	-2.64
CCCC(NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=NNN=N1	REAL000000003665	1	33	0.0	-15.07	304.29	4.29	-10.78
CCCC(NC(=O)C1=C(Br)N=CS1)C1=NNN=N1	REAL000000003666	1	29	0.0	-12.63	282.81	1.32	-11.31
CCCC(NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=NNN=N1	REAL000000003667	1	46	0.0	-21.95	364.04	2.65	-19.30
CCCC(NC(=O)C1=CSC(NC2CC2)=N1)C1=NNN=N1	REAL000000003668	1	38	0.0	-7.49	326.49	2.05	-5.44
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C(C)=C1)C1=NNN=N1	REAL000000003669	1	43	0.0	-12.40	389.74	6.21	-6.19
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=NNN=N1	REAL000000003670	1	43	0.0	-11.77	365.79	5.33	-6.44
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=NNN=N1	REAL000000003671	1	46	0.0	-12.18	380.79	5.94	-6.25
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=NNN=N1	REAL000000003672	1	43	0.0	-12.72	376.11	5.77	-6.95
CCCC(NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000003673	1	49	0.0	-12.26	400.65	6.57	-5.70
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=C2OCC)=C1)C1=NNN=N1	REAL000000003674	1	50	0.0	-9.88	400.55	7.34	-2.54
CCCC(NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=NNN=N1	REAL000000003675	1	49	0.0	-13.01	388.74	4.17	-8.84
CCCC(NC(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=NNN=N1	REAL000000003676	1	44	0.0	-10.81	394.94	8.26	-2.55
CCCC(NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=NNN=N1	REAL000000003677	1	46	0.0	-12.06	376.38	5.05	-7.01
CCCC(NC(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003678	1	53	0.0	-12.23	417.01	4.24	-7.99
CCCC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000003679	1	48	0.0	-12.74	387.37	6.36	-6.38
CCCC(NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=NNN=N1	REAL000000003681	1	39	0.0	-17.29	339.54	2.49	-14.81
CCCC(NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000003682	1	42	0.0	-10.28	361.38	2.20	-8.08
CCCC(NC(=O)CC1=CNC2=CC=CC(OC)=C12)C1=NNN=N1	REAL000000003683	1	44	0.0	-16.07	362.40	3.73	-12.33
CCCCCCCCC(C)CC(=O)NC(CCC)C1=NNN=N1	REAL000000003684	1	56	0.0	-9.20	427.79	8.06	-1.14
CCCC(NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=NNN=N1	REAL000000003685	1	48	0.0	-9.45	387.74	5.41	-4.04
CCCC(NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003686	1	38	0.0	-13.23	331.20	3.35	-9.89
CCCC(NC(=O)CC1=CC=C(Br)C=C1C)C1=NNN=N1	REAL000000003687	1	39	0.0	-11.65	340.41	5.43	-6.22
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C(C)=C1)C1=NNN=N1	REAL000000003688	1	47	0.0	-12.92	388.82	4.57	-8.35
CCCC(NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=NNN=N1	REAL000000003689	1	42	0.0	-11.22	351.29	3.49	-7.73
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NNN=N1	REAL000000003690	1	49	0.0	-15.17	408.47	5.82	-9.35
CCCC(NC(=O)C1=CC=CC(C2=NN=C(CCOC)O2)=C1)C1=NNN=N1	REAL000000003691	1	48	0.0	-18.92	405.78	0.13	-18.79
CCCC(NC(=O)C1=CC=NC(OC(C)CC)=C1)C1=NNN=N1	REAL000000003692	1	45	0.0	-13.11	367.87	3.04	-10.06
CCCC(NC(=O)C1=NOC(COC2=CC=CC(C(C)=O)=C2)=C1)C1=NNN=N1	REAL000000003693	1	48	0.0	-19.16	409.51	4.79	-14.37
CCCC(NC(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003694	1	60	0.0	-17.51	455.95	5.29	-12.21
CCCC(NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=NNN=N1	REAL000000003695	1	50	0.0	-11.71	401.00	8.11	-3.60
CCCC(NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=NNN=N1	REAL000000003696	1	45	0.0	-18.33	363.41	3.59	-14.74
CCCC(NC(=O)CSC1=NC(C2=CC=CC(C)=C2)=NO1)C1=NNN=N1	REAL000000003697	1	45	0.0	-14.63	396.46	4.10	-10.53
CCCC(NC(=O)C1=CC(Br)=NC=C1F)C1=NNN=N1	REAL000000003698	1	32	0.0	-11.11	299.02	2.47	-8.64
CCCC(NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000003699	1	40	0.0	-12.12	340.17	5.89	-6.23
CCCC(NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=NNN=N1	REAL000000003700	1	45	0.0	-19.34	380.55	2.46	-16.88
CCCC(NC(=O)C1=CC=C(Cl)C(OC)=C1)C1=NNN=N1	REAL000000003701	1	37	0.0	-11.57	323.22	3.53	-8.04
CCCC(NC(=O)C1=CC=C(CC)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000003702	1	45	0.0	-20.67	368.00	2.62	-18.05
CCCC(NC(=O)C1=CC(OC)=C(Br)S1)C1=NNN=N1	REAL000000003703	1	34	0.0	-7.28	314.40	2.37	-4.91
CCCC(NC(=O)C1=CC=C2C=C(C#N)C=CC2=C1)C1=NNN=N1	REAL000000003704	1	40	0.0	-13.70	344.72	6.29	-7.41
CCCC(NC(=O)C1COC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000003705	1	38	0.0	-10.09	330.23	3.63	-6.46
CCCC(NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000003706	1	41	0.0	-18.80	359.12	-0.31	-19.12
CCCC(NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000003708	1	41	0.0	-12.61	343.14	5.99	-6.61
CCCC(NC(=O)C1=CN=CC(I)=C1)C1=NNN=N1	REAL000000003709	1	32	0.0	-6.88	293.34	2.63	-4.26
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)C2)C1=O)C1=NNN=N1	REAL000000003710	1	54	0.0	-15.70	413.16	3.97	-11.73
CCCC(NC(=O)CCCOCC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003711	1	50	0.0	-15.42	408.79	4.51	-10.91
CCCC(NC(=O)C1=C2N=CC=CC2=CC(Br)=C1)C1=NNN=N1	REAL000000003712	1	38	0.0	-15.15	338.07	5.08	-10.07
CCCC(NC(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000003713	1	51	0.0	-15.11	414.91	8.12	-7.00
CCCC(NC(=O)CCC(=O)NC1CCCC1)C1=NNN=N1	REAL000000003714	1	46	0.0	-11.48	367.48	2.68	-8.80
CCCC(NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NNN=N1	REAL000000003715	1	42	0.0	-17.46	362.36	5.05	-12.41
CCCC(NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=NNN=N1	REAL000000003716	1	46	0.0	-17.14	376.26	3.61	-13.53
CCCC(NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=NNN=N1	REAL000000003717	1	39	0.0	-15.44	325.64	4.19	-11.24
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000003718	1	56	0.0	-15.81	434.28	5.20	-10.61
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=NNN=N1	REAL000000003719	1	43	0.0	-13.72	374.53	5.94	-7.79
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=NNN=N1	REAL000000003720	1	39	0.0	-16.17	355.60	3.94	-12.23
CCCC(NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=NNN=N1	REAL000000003721	1	40	0.0	-13.37	336.66	5.23	-8.14
CCCC(NC(=O)CC1=C2C=C(OC)C=CC2=CC=C1)C1=NNN=N1	REAL000000003722	1	46	0.0	-11.36	367.18	5.43	-5.94
CCCC(NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=NNN=N1	REAL000000003723	1	44	0.0	-12.19	352.04	4.29	-7.90
CCCC(NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000003724	1	42	0.0	-21.58	358.48	6.07	-15.51
CCCC(NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=NNN=N1	REAL000000003725	1	49	0.0	-19.10	401.28	6.00	-13.10
CCCC(NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=NNN=N1	REAL000000003726	1	42	0.0	-9.40	365.51	5.05	-4.34
CCCC(NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003727	1	56	0.0	-16.93	430.90	5.28	-11.66
CCCC(NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=NNN=N1	REAL000000003728	1	42	0.0	-10.83	357.04	4.15	-6.68
CCCC(NC(=O)C1=C(CC)OC2=CC=CC=C21)C1=NNN=N1	REAL000000003729	1	42	0.0	-9.56	345.29	5.17	-4.39
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(OC)=C2)N1)C1=NNN=N1	REAL000000003730	1	47	0.0	-12.10	379.78	3.70	-8.40
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=NNN=N1	REAL000000003731	1	46	0.0	-18.01	388.75	-0.90	-18.91
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=NNN=N1	REAL000000003732	1	37	0.0	-17.47	327.90	-3.30	-20.77
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=NNN=N1	REAL000000003733	1	40	0.0	-12.10	358.87	6.55	-5.55
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C(F)(F)F)=C2)N1)C1=NNN=N1	REAL000000003734	1	46	0.0	-15.22	396.54	5.72	-9.50
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003735	1	50	0.0	-18.42	399.31	6.68	-11.74
CCCC(NC(=O)CC1=CNC2=CC=CC(Br)=C12)C1=NNN=N1	REAL000000003736	1	40	0.0	-11.62	343.06	4.48	-7.15
CCCC(NC(=O)C(F)(F)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003737	1	40	0.0	-10.09	341.47	3.75	-6.35
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=NNN=N1	REAL000000003738	1	42	0.0	-15.14	367.12	4.31	-10.83
CCCC(NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=NNN=N1	REAL000000003739	1	44	0.0	-13.12	358.57	3.33	-9.80
CCCC(NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000003740	1	56	0.0	-10.73	441.76	5.01	-5.72
CCCC(NC(=O)C1=CC(OC)=C(O)C(OC)=C1)C1=NNN=N1	REAL000000003741	1	42	0.0	-10.66	339.90	0.41	-10.25
CCCC(NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=NNN=N1	REAL000000003742	1	36	0.0	-13.79	302.71	1.71	-12.07
CCCC(NC(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=NNN=N1	REAL000000003743	1	48	0.0	-19.74	380.72	3.28	-16.46
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1)C1=NNN=N1	REAL000000003744	1	36	0.0	-6.83	309.97	4.52	-2.32
CCCC(NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=NNN=N1	REAL000000003745	1	43	0.0	-15.13	370.70	7.40	-7.73
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)CC)C=C1)C1=NNN=N1	REAL000000003746	1	48	0.0	-17.43	405.92	3.56	-13.86
CCCC(NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003747	1	51	0.0	-10.52	399.44	7.56	-2.96
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=NNN=N1	REAL000000003748	1	33	0.0	-10.68	304.84	4.30	-6.38
CCCC(NC(=O)C1=C(C)N=C(N(C)C)S1)C1=NNN=N1	REAL000000003749	1	40	0.0	-9.09	330.60	2.84	-6.25
CCCC(NC(=O)C1=CC(C(=O)OCC)=CN=C1C)C1=NNN=N1	REAL000000003750	1	44	0.0	-8.09	358.60	3.78	-4.31
CCCC(NC(=O)C(C)N1CCC2=CC=CC=C21)C1=NNN=N1	REAL000000003751	1	45	0.0	-10.02	348.70	3.80	-6.22
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=NNN=N1	REAL000000003752	1	45	0.0	-15.03	396.37	7.13	-7.91
CCCC(NC(=O)C1=CN=C(C2CCCO2)S1)C1=NNN=N1	REAL000000003753	1	40	0.0	-12.61	343.42	1.82	-10.79
CCCC(NC(=O)C1=C2N=CC=CC2=CC(F)=C1)C1=NNN=N1	REAL000000003754	1	38	0.0	-15.27	323.22	4.52	-10.74
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)=O)C=C2)C=C1)C1=NNN=N1	REAL000000003755	1	49	0.0	-15.73	407.45	6.95	-8.78
CCCC(NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=NNN=N1	REAL000000003756	1	39	0.0	-12.70	342.00	1.74	-10.96
CCCC(NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=NNN=N1	REAL000000003757	1	45	0.0	-11.57	356.87	0.68	-10.90
CCCC(NC(=O)C1=CC=CC(C)=C1Br)C1=NNN=N1	REAL000000003758	1	36	0.0	-8.57	305.00	4.52	-4.05
CCCC(NC(=O)C1CCC2CCCCC2C1)C1=NNN=N1	REAL000000003759	1	49	0.0	-6.27	358.12	5.91	-0.35
CCCC(NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003760	1	49	0.0	-10.39	391.15	2.14	-8.25
CCCC(NC(=O)CCCC1=CC(F)=CC=C1F)C1=NNN=N1	REAL000000003761	1	42	0.0	-9.45	349.92	5.70	-3.75
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=NNN=N1	REAL000000003762	1	46	0.0	-13.67	392.47	6.41	-7.26
CCCC(NC(=O)C(C)CC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003763	1	46	0.0	-8.30	361.43	4.59	-3.71
CCCC(NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003764	1	47	0.0	-17.90	389.75	5.68	-12.23
CCCC(NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003765	1	54	0.0	-11.63	426.45	8.58	-3.05
CCCC(NC(=O)CC(C)C1=C(C)ON=C1C)C1=NNN=N1	REAL000000003766	1	44	0.0	-11.71	348.89	4.18	-7.53
CCCC(NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=NNN=N1	REAL000000003767	1	48	0.0	-8.41	364.12	6.18	-2.23
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1OC)C1=NNN=N1	REAL000000003768	1	50	0.0	-11.57	395.86	4.27	-7.30
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C1=NNN=N1	REAL000000003769	1	42	0.0	-16.25	352.68	1.76	-14.49
CCCC(NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=NNN=N1	REAL000000003770	1	41	0.0	-18.61	343.69	0.56	-18.05
CCCC(NC(=O)CC(C)C1=C(C)NN=C1C)C1=NNN=N1	REAL000000003771	1	45	0.0	-9.55	343.81	2.57	-6.99
CCCC(NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=NNN=N1	REAL000000003772	1	43	0.0	-9.86	349.36	3.60	-6.26
CCCC(NC(=O)C1CCCN(CC(F)(F)F)C1)C1=NNN=N1	REAL000000003773	1	44	0.0	-8.99	340.76	1.73	-7.27
CCCC(NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=NNN=N1	REAL000000003774	1	39	0.0	-23.19	330.12	3.57	-19.63
CCCC(NC(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000003775	1	36	0.0	-9.47	338.06	5.28	-4.19
CCCC(NC(=O)CC1COC2=CC(OC)=CC=C21)C1=NNN=N1	REAL000000003776	1	45	0.0	-13.51	364.59	3.43	-10.08
CCCC(NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=NNN=N1	REAL000000003777	1	46	0.0	-11.38	363.76	4.82	-6.56
CCCC(NC(=O)C1=CN(C2=NC(CC)=CS2)N=C1)C1=NNN=N1	REAL000000003778	1	42	0.0	-13.10	361.82	4.01	-9.10
CCCC(NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=NNN=N1	REAL000000003779	1	39	0.0	-22.57	325.88	4.92	-17.65
CCCC(NC(=O)C(C)C1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000003780	1	39	0.0	-11.64	325.59	4.89	-6.75
CCCC(NC(=O)CC1=CC=CC(OCC#N)=C1)C1=NNN=N1	REAL000000003781	1	41	0.0	-14.57	345.90	4.00	-10.56
CCCC(NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=NNN=N1	REAL000000003782	1	43	0.0	-12.16	366.93	4.10	-8.05
CCCC(NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=NNN=N1	REAL000000003783	1	44	0.0	-14.61	354.26	4.59	-10.02
CCCC(NC(=O)C1=C(C)N(CCOC2CCCCO2)N=C1)C1=NNN=N1	REAL000000003784	1	54	0.0	-13.28	428.69	4.17	-9.11
CCCC(NC(=O)C1=CN=C2C=CC(F)=CC2=C1)C1=NNN=N1	REAL000000003785	1	38	0.0	-11.08	325.45	4.09	-6.99
CCCC(NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=NNN=N1	REAL000000003786	1	39	0.0	-13.19	332.79	1.29	-11.89
CCCC(NC(=O)CCC1=CC(Br)=CC=C1F)C1=NNN=N1	REAL000000003787	1	39	0.0	-10.38	350.50	5.79	-4.59
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C(C)=C1)C1=NNN=N1	REAL000000003788	1	43	0.0	-10.51	384.17	6.12	-4.38
CCCC(NC(=O)C1=NN(C(CC)CC)C(C)=C1)C1=NNN=N1	REAL000000003789	1	48	0.0	-12.03	383.89	5.00	-7.03
CCCC(NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=NNN=N1	REAL000000003790	1	49	0.0	-11.57	386.51	5.38	-6.19
CCCC(NC(=O)C(C)CC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000003791	1	42	0.0	-7.33	345.77	5.69	-1.64
CCCC(NC(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000003792	1	44	0.0	-17.50	397.35	6.73	-10.78
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=NNN=N1	REAL000000003793	1	44	0.0	-15.88	367.53	5.30	-10.57
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1F)C1=NNN=N1	REAL000000003794	1	36	0.0	-10.33	316.56	4.44	-5.90
CCCC(NC(=O)C1=C(C)N=C(COC)S1)C1=NNN=N1	REAL000000003795	1	39	0.0	-11.47	337.51	1.18	-10.29
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=NNN=N1	REAL000000003796	1	46	0.0	-12.98	378.91	5.38	-7.60
CCCC(NC(=O)CS(=O)(=O)C(C)(C)C)C1=NNN=N1	REAL000000003797	1	41	0.0	-24.31	339.15	0.37	-23.94
CCCC(NC(=O)CSC1=CC=CC=C1OC)C1=NNN=N1	REAL000000003798	1	41	0.0	-15.37	349.58	4.15	-11.22
CCCC(NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000003799	1	42	0.0	-9.98	355.85	6.12	-3.86
CCCC(NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=NNN=N1	REAL000000003800	1	39	0.0	-13.85	339.71	1.63	-12.22
CCCC(NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=NNN=N1	REAL000000003802	1	45	0.0	-15.57	382.21	4.32	-11.26
CCCC(NC(=O)C(CC)CC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000003814	1	47	0.0	-13.65	387.13	6.89	-6.76
CCCC(NC(=O)C(=O)C1=CC=CC=C1OC)C1=NNN=N1	REAL000000003815	1	39	0.0	-10.84	325.60	4.07	-6.77
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NNN=N1	REAL000000003816	1	40	0.0	-10.63	348.86	4.87	-5.75
CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL000000003817	0	50	0.0	-70.02	360.44	5.35	-64.67
CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL000000003817	1	50	0.0	-69.98	360.37	5.35	-64.63
CCCC(NC(=O)C1=C2SC=CC2=CC=C1)C1=NNN=N1	REAL000000003818	1	36	0.0	-10.11	305.02	4.68	-5.43
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=NNN=N1	REAL000000003819	1	36	0.0	-9.87	311.43	1.65	-8.22
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=NNN=N1	REAL000000003820	1	47	0.0	-11.25	365.49	4.97	-6.28
CCCC(NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000003821	1	42	0.0	-14.65	375.05	3.43	-11.23
CCCC(NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=NNN=N1	REAL000000003822	1	43	0.0	-16.48	367.49	5.01	-11.47
CCCC(NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=NNN=N1	REAL000000003823	1	49	0.0	-12.38	398.56	4.82	-7.57
CCCC(NC(=O)C1=CC=C(C2N=NC(=S)O2)C=C1)C1=NNN=N1	REAL000000003824	1	39	0.0	-10.21	342.20	-1.72	-11.93
CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL000000003827	0	50	0.0	-59.13	372.97	5.67	-53.46
CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL000000003827	1	50	0.0	-59.89	372.97	5.67	-54.22
CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL000000003827	1	50	0.0	-59.12	372.91	5.66	-53.46
CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL000000003827	1	50	0.0	-59.88	372.91	5.66	-54.22
CCCC(NC(=O)COC1CCCCC1CC)C1=NNN=N1	REAL000000003828	1	49	0.0	-12.35	376.68	5.65	-6.70
CCCC(NC(=O)C(=O)C1=CC=C(OC)C(Cl)=C1)C1=NNN=N1	REAL000000003829	1	39	0.0	-9.67	343.65	3.37	-6.30
CCCC(NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=NNN=N1	REAL000000003830	1	43	0.0	-12.84	350.66	3.13	-9.71
CCCC(NC(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000003831	1	50	0.0	-20.21	402.73	4.59	-15.63
CCCC(NC(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003832	1	52	0.0	-15.10	420.99	2.24	-12.86
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=NNN=N1	REAL000000003833	1	43	0.0	-14.30	374.47	4.44	-9.86
CCCC(NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=NNN=N1	REAL000000003834	1	44	0.0	-14.75	361.74	0.94	-13.81
CCCC(NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000003835	1	45	0.0	-13.09	383.99	6.91	-6.19
CCCC(NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=NNN=N1	REAL000000003836	1	37	0.0	-12.13	318.24	0.00	-12.13
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000003837	1	53	0.0	-16.82	409.26	7.45	-9.38
CCCC(NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=NNN=N1	REAL000000003838	1	43	0.0	-11.65	354.97	4.25	-7.40
CCCC(NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000003839	1	41	0.0	-13.89	357.51	2.54	-11.35
CCCC(NC(=O)CN1C(C)=CC(C)=NC1=O)C1=NNN=N1	REAL000000003840	1	41	0.0	-28.20	340.13	1.82	-26.38
CCCC(NC(=O)C1=CC(Br)=C(C)NC1=O)C1=NNN=N1	REAL000000003841	1	36	0.0	-13.82	319.29	1.97	-11.85
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NCC)C=C1)C1=NNN=N1	REAL000000003843	1	47	0.0	-18.81	400.00	1.36	-17.46
CCCC(NC(=O)CC1=CC=C2COCC2=C1)C1=NNN=N1	REAL000000003845	1	41	0.0	-13.45	338.33	3.63	-9.82
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NC)C=C1)C1=NNN=N1	REAL000000003846	1	44	0.0	-16.38	371.77	0.18	-16.20
CCCC(NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000003847	1	40	0.0	-11.14	356.20	6.34	-4.81
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1)C1=NNN=N1	REAL000000003848	1	36	0.0	-9.08	320.43	4.95	-4.14
CCCC(NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NNN=N1	REAL000000003849	1	41	0.0	-11.51	351.55	5.58	-5.93
CCCC(NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=NNN=N1	REAL000000003850	1	38	0.0	-14.84	320.74	2.24	-12.60
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=NNN=N1	REAL000000003851	1	43	0.0	-14.73	361.83	5.92	-8.81
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003852	1	44	0.0	-9.80	376.03	6.10	-3.70
CCCC(NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=NNN=N1	REAL000000003853	1	41	0.0	-10.01	347.72	4.36	-5.66
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003854	1	54	0.0	-18.27	417.16	6.10	-12.16
CCCC(NC(=O)C1=COC(C2CCOCC2)=N1)C1=NNN=N1	REAL000000003855	1	43	0.0	-10.36	353.60	-0.12	-10.48
CCCC(NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=NNN=N1	REAL000000003857	1	46	0.0	-7.56	363.48	3.22	-4.34
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=NNN=N1	REAL000000003858	1	42	0.0	-9.07	387.77	3.91	-5.16
CCCC(NC(=O)CCCCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003859	1	51	0.0	-12.54	409.08	5.54	-7.00
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=NNN=N1	REAL000000003860	1	48	0.0	-20.14	402.20	3.37	-16.78
CCCC(NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=NNN=N1	REAL000000003861	1	39	0.0	-11.73	329.32	5.43	-6.30
CCCC(NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=NNN=N1	REAL000000003862	1	38	0.0	-8.85	320.89	4.24	-4.61
CCCC(NC(=O)CC1CCOC(C(C)C)C1)C1=NNN=N1	REAL000000003863	1	49	0.0	-7.34	365.02	4.03	-3.31
CCCC(NC(=O)CNC(=O)C1=C(C)OC=C1)C1=NNN=N1	REAL000000003864	1	40	0.0	-12.62	338.37	0.93	-11.69
CCCC(NC(=O)CSC1=NN=C2C=CC=CN21)C1=NNN=N1	REAL000000003865	1	39	0.0	-17.85	346.19	5.30	-12.55
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=NNN=N1	REAL000000003867	1	40	0.0	-11.36	354.38	5.39	-5.98
CCCC(NC(=O)C1=CN(CC2(C)COC2)N=N1)C1=NNN=N1	REAL000000003869	1	43	0.0	-13.79	353.83	0.69	-13.10
CCCC(NC(=O)C1=CC2=C(C=C1OC)OCO2)C1=NNN=N1	REAL000000003870	1	40	0.0	-10.43	323.84	2.45	-7.98
CCCC(NC(=O)C1=CC=C(OC)C(N2C=NN=N2)=C1)C1=NNN=N1	REAL000000003871	1	42	0.0	-15.71	345.85	3.07	-12.64
CCCC(NC(=O)C(Br)C(C)(C)C)C1=NNN=N1	REAL000000003872	1	38	0.0	-6.38	307.56	3.22	-3.16
CCCC(NC(=O)C1=CC=C(O)C(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000003875	1	44	0.0	-14.25	366.20	4.66	-9.60
CCCC(NC(=O)C1CCN(C2=CC=C3C=CC=C(O)C3=N2)CC1)C1=NNN=N1	REAL000000003876	1	54	0.0	-14.84	419.48	3.27	-11.57
CCCC(NC(=O)CNC(=O)CC1=CC=C(O)C=C1)C1=NNN=N1	REAL000000003877	1	44	0.0	-15.12	372.35	-0.03	-15.15
CCCC(NC(=O)CCNC(=O)C1=CC=C(C)C=C1O)C1=NNN=N1	REAL000000003878	1	47	0.0	-22.25	389.07	2.01	-20.25
CCCC(NC(=O)CCCC1=CC=C(O)C=C1)C1=NNN=N1	REAL000000003879	1	43	0.0	-11.15	349.10	2.73	-8.43
CCCCC(ON=C(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000003880	1	48	0.0	-13.04	386.58	5.82	-7.21
CCCC(NC(=O)C1=C2C=CC=CC2=NC(N(C)C)=C1)C1=NNN=N1	REAL000000003881	1	46	0.0	-13.72	368.16	5.69	-8.03
CCCC(NC(=O)CSC1=NC(C2=CC=CC(OC)=C2)=NO1)C1=NNN=N1	REAL000000003882	1	46	0.0	-15.97	404.53	2.74	-13.24
CCCC(NC(=O)C1=C(C)N(C2CCCCC2)N=C1)C1=NNN=N1	REAL000000003883	1	49	0.0	-11.05	382.34	5.35	-5.70
CCCC(NC(=O)C(C)CC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000003884	1	50	0.0	-13.55	397.86	4.84	-8.71
CCCC(NC(=O)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)C1=NNN=N1	REAL000000003885	1	43	0.0	-18.26	368.72	5.26	-13.00
CCCC(NC(=O)C1=CC(OC)=C(C(C)C)C(OC)=C1)C1=NNN=N1	REAL000000003886	1	50	0.0	-11.68	390.15	4.68	-6.99
CCCC(NC(=O)CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000003887	1	43	0.0	-15.87	371.52	6.17	-9.70
CCCC(NC(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=NNN=N1	REAL000000003888	1	42	0.0	-16.86	355.79	5.77	-11.09
CCCC(NC(=O)CC(C)(O)C1=CC=CC=C1)C1=NNN=N1	REAL000000003889	1	43	0.0	-10.04	342.60	3.37	-6.67
CCCC(NC(=O)C1=C(Br)N(C)N=C1)C1=NNN=N1	REAL000000003890	1	33	0.0	-11.57	300.23	1.84	-9.73
CCCC(NC(=O)C1=C(Br)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000003891	1	40	0.0	-12.99	354.77	5.14	-7.85
CCCC(NC(=O)C1=CC2=C(C=N1)OCCC2)C1=NNN=N1	REAL000000003892	1	40	0.0	-10.21	328.62	2.58	-7.63
CCCC(NC(=O)CCC1=CC=C(Br)C=C1OC)C1=NNN=N1	REAL000000003893	1	43	0.0	-11.25	373.36	5.12	-6.13
CCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000003894	0	54	0.0	-70.32	429.41	9.13	-61.19
CCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL000000003894	1	54	0.0	-69.76	429.36	9.13	-60.63
CCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000003894	1	54	0.0	-70.32	429.35	9.12	-61.20
CCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL000000003894	1	54	0.0	-69.75	429.30	9.12	-60.63
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(OC)=C1OC)C1=NNN=N1	REAL000000003895	1	53	0.0	-14.09	428.14	4.93	-9.16
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000003896	1	53	0.0	-16.07	413.17	3.72	-12.35
CCCC(NC(=O)C1=CC(C2=CN(C)N=C2)=CC=C1F)C1=NNN=N1	REAL000000003897	1	43	0.0	-18.12	362.33	5.04	-13.08
CCCC(NC(=O)C1=CC2=CC(C)=CC(Br)=C2O1)C1=NNN=N1	REAL000000003898	1	39	0.0	-8.01	344.46	4.99	-3.02
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C(F)=C2)=N1)C1=NNN=N1	REAL000000003899	1	39	0.0	-12.00	357.68	4.59	-7.41
CCCC(NC(=O)CCCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003900	1	52	0.0	-15.86	411.86	2.68	-13.18
CCCC(NC(=O)CC(O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003901	1	54	0.0	-15.00	441.71	6.14	-8.86
CCCC(NC(=O)COCCNC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000003902	1	47	0.0	-20.63	393.34	3.20	-17.42
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1=NNN=N1	REAL000000003913	1	53	0.0	-13.84	415.57	4.67	-9.17
CCCC(NC(=O)C1=CC(Br)=C(Cl)C=C1OC)C1=NNN=N1	REAL000000003914	1	37	0.0	-10.95	341.11	5.30	-5.66
CCCC(NC(=O)C(C)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000003915	1	41	0.0	-14.13	346.47	5.55	-8.58
CCCC(NC(=O)C1CCC2=CC=C(OC)C=C21)C1=NNN=N1	REAL000000003916	1	44	0.0	-10.98	353.53	4.72	-6.27
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1F)C1=NNN=N1	REAL000000003917	1	33	0.0	-10.45	309.25	4.40	-6.04
CCCC(NC(=O)C(F)(F)C1(O)CCCC1)C1=NNN=N1	REAL000000003918	1	40	0.0	-8.37	324.64	1.38	-6.99
CCCC(NC(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000003919	1	38	0.0	-10.59	348.21	5.99	-4.60
CCCC(NC(=O)C1=NN(CC)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000003920	1	38	0.0	-15.30	321.27	3.47	-11.83
CCCC(NC(=O)C(F)(F)C1CCOCC1)C1=NNN=N1	REAL000000003921	1	40	0.0	-8.14	321.68	2.34	-5.80
CCCC(NC(=O)C1=CC=C(OC2CC2)C=C1OC)C1=NNN=N1	REAL000000003922	1	45	0.0	-11.00	358.30	4.77	-6.23
CCCC(NC(=O)C1=CC(Br)=NN1C)C1=NNN=N1	REAL000000003924	1	33	0.0	-7.47	292.66	1.53	-5.94
CCCC(NC(=O)C1=CC(F)=C(C(F)(F)F)C(F)=C1)C1=NNN=N1	REAL000000003925	1	36	0.0	-10.30	325.38	4.71	-5.59
CCCC(NC(=O)[C@@H](C)C1=CC=C(CC(C)C)C=C1)C1=NNN=N1	REAL000000003926	1	51	0.0	-10.38	399.45	7.56	-2.82
CCCC(NC(=O)CC1=CC=C2NC(=O)NC2=C1)C1=NNN=N1	REAL000000003927	1	40	0.0	-17.61	338.14	1.14	-16.47
CCCC(NC(=O)C1=CC=CC(Br)=C1F)C1=NNN=N1	REAL000000003928	1	33	0.0	-15.60	302.88	4.34	-11.26
CCCC(NC(=O)C1=C(C)SC(Cl)=N1)C1=NNN=N1	REAL000000003929	1	32	0.0	-6.87	291.91	1.64	-5.23
CCCC(NC(=O)C(F)(F)C1(O)CCCCC1)C1=NNN=N1	REAL000000003930	1	43	0.0	-8.28	338.74	2.78	-5.50
CCCC(NC(=O)CC1=CC=C(OCCOC)C=C1)C1=NNN=N1	REAL000000003931	1	47	0.0	-12.01	380.15	3.51	-8.50
CCCC(NC(=O)C1=C2CC(CNC(C)=O)CCN2N=C1)C1=NNN=N1	REAL000000003932	1	50	0.0	-16.39	394.20	1.79	-14.60
CCCC(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL000000003933	0	47	0.0	-56.14	363.05	5.98	-50.16
CCCC(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=N[N-]N=N1	REAL000000003933	1	47	0.0	-56.11	363.00	5.98	-50.13
CCCC(NC(=O)C(=O)C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000003934	1	32	0.0	-7.25	306.91	3.16	-4.09
CCCC(NC(=O)C1=CN=C(OCC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000003935	1	45	0.0	-9.68	383.69	2.54	-7.14
CCCC(NC(=O)CC1=CC=CC(Br)=C1C)C1=NNN=N1	REAL000000003936	1	39	0.0	-9.01	330.06	5.04	-3.97
CCCC(NC(=O)CC1=C(CC)N(C)N=C1CC)C1=NNN=N1	REAL000000003937	1	48	0.0	-14.98	387.22	4.60	-10.38
CCCC(NC(=O)CC1=CC=CC(Cl)=C1OCC)C1=NNN=N1	REAL000000003938	1	43	0.0	-13.32	370.06	5.22	-8.09
CCCC(NC(=O)C1=NN(C2=CC=CC(Br)=C2)N=C1)C1=NNN=N1	REAL000000003939	1	39	0.0	-10.17	358.00	3.88	-6.30
CCCC(NC(=O)C1=CC=C(C2=NNC=C2)S1)C1=NNN=N1	REAL000000003940	1	37	0.0	-11.03	324.53	2.54	-8.49
CCCC(NC(=O)C1=NC=CN2C=C(C)N=C12)C1=NNN=N1	REAL000000003941	1	38	0.0	-19.52	323.47	3.24	-16.27
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003942	1	40	0.0	-13.40	344.63	5.37	-8.03
CCCC(NC(=O)CCOCC(F)(F)C(F)(F)F)C1=NNN=N1	REAL000000003943	1	39	0.0	-10.18	347.77	2.99	-7.19
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC(OC)=C2)C=C1)C1=NNN=N1	REAL000000003944	1	49	0.0	-18.26	403.81	6.20	-12.06
CCCC(NC(=O)C1=CN=C2N=CC(Br)=CC2=C1)C1=NNN=N1	REAL000000003945	1	37	0.0	-13.02	335.28	3.68	-9.34
CCCC(NC(=O)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)C1=NNN=N1	REAL000000003946	1	45	0.0	-23.57	375.12	5.64	-17.93
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000003947	1	50	0.0	-15.65	409.52	2.24	-13.41
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000003948	1	54	0.0	-14.27	414.33	4.72	-9.55
CCCC(NC(=O)CCCCOC1=CC=C(C(=O)CC)C=C1)C1=NNN=N1	REAL000000003949	1	54	0.0	-15.83	438.13	6.83	-9.00
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1)C1=NNN=N1	REAL000000003950	1	36	0.0	-12.11	314.95	2.42	-9.70
CCCC(NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003951	1	50	0.0	-11.76	405.77	7.58	-4.18
CCCC(NC(=O)C1=CC=CC(NC(C)=O)=C1C)C1=NNN=N1	REAL000000003952	1	43	0.0	-13.97	346.76	3.47	-10.49
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1C)C1=NNN=N1	REAL000000003953	1	43	0.0	-15.65	350.28	3.24	-12.41
CCCC(NC(=O)CCCCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003954	1	55	0.0	-14.27	433.35	3.46	-10.81
CCCC(NC(=O)C1=C(I)C(C)=CS1)C1=NNN=N1	REAL000000003955	1	33	0.0	-7.04	304.97	3.98	-3.06
CCCC(NC(=O)C1=CC=C(C(C)C)C(Cl)=C1)C1=NNN=N1	REAL000000003956	1	42	0.0	-11.48	351.54	6.00	-5.48
CCCC(NC(=O)C1=CC(N2CCNC(=O)C2)=CC=N1)C1=NNN=N1	REAL000000003957	1	45	0.0	-20.13	360.05	-1.35	-21.48
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CCC)C1=NNN=N1	REAL000000003958	1	46	0.0	-10.66	372.16	6.82	-3.84
CCCC(NC(=O)CC1CCC2(CC1)OCCO2)C1=NNN=N1	REAL000000003959	1	48	0.0	-8.78	360.49	3.18	-5.60
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1)C1=NNN=N1	REAL000000003960	1	44	0.0	-11.49	389.20	5.33	-6.16
CCCC(NC(=O)C1=CC(C2=CC=C(C)C(C)=C2)=NN1)C1=NNN=N1	REAL000000003961	1	46	0.0	-12.19	377.61	4.90	-7.30
CCCC1=CC(C(=O)NC(CCC)C2=NNN=N2)=CC=C1Cl	REAL000000003962	1	42	0.0	-6.70	347.47	5.92	-0.78
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=N1)C1=NNN=N1	REAL000000003963	1	39	0.0	-10.56	351.75	3.86	-6.70
CCCC(NC(=O)C1=C2OC(C)=CC2=C(Br)C=C1)C1=NNN=N1	REAL000000003964	1	39	0.0	-11.29	340.46	5.63	-5.65
CCCC(NC(=O)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1)C1=NNN=N1	REAL000000003965	1	46	0.0	-17.90	385.36	4.04	-13.87
CCCC(NC(=O)C1=CNC(=O)C2=CC=CC=C12)C1=NNN=N1	REAL000000003966	1	39	0.0	-16.65	323.70	2.88	-13.77
CCCC(NC(=O)CCCSC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000003967	1	47	0.0	-14.51	393.52	5.67	-8.84
CCCC(NC(=O)CN(C)C1CCS(=O)(=O)C1)C1=NNN=N1	REAL000000003968	1	44	0.0	-19.89	356.42	-1.58	-21.47
CCCC(NC(=O)C(O)CC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000003969	1	44	0.0	-9.90	355.81	1.92	-7.98
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CC(Cl)=N1)C1=NNN=N1	REAL000000003970	1	38	0.0	-11.18	344.81	3.80	-7.38
CCCC(NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000003971	1	47	0.0	-16.65	365.71	3.26	-13.38
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1C)C1=NNN=N1	REAL000000003972	1	53	0.0	-16.93	409.98	4.39	-12.54
CCCC(NC(=O)CC1=CC=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000003973	1	36	0.0	-12.23	338.49	5.40	-6.84
CCCC(NC(=O)C1=NN(C2=C(F)C=CC=C2F)C=C1C)C1=NNN=N1	REAL000000003974	1	43	0.0	-14.49	365.39	5.65	-8.84
CCCC(NC(=O)CCCC1=CC=C(O)C(F)=C1)C1=NNN=N1	REAL000000003975	1	43	0.0	-15.44	362.50	3.13	-12.31
CCCC(NC(=O)C1=NC(Br)=CC=C1C)C1=NNN=N1	REAL000000003976	1	35	0.0	-8.99	312.46	3.11	-5.87
CCCC(NC(=O)C1=CC(O)=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000003977	1	40	0.0	-16.00	343.51	1.46	-14.54
CCCC(NC(=O)C1=NOC2=C1CCCCC2)C1=NNN=N1	REAL000000003978	1	42	0.0	-9.72	331.16	4.11	-5.62
CCCC(NC(=O)C1=CC(Cl)=NC=C1Cl)C1=NNN=N1	REAL000000003979	1	32	0.0	-9.75	302.49	2.83	-6.93
CCCC(NC(=O)C1=CSC(CCNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000003980	1	52	0.0	-13.03	427.74	1.57	-11.47
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC(C)=CC=C1C)C1=NNN=N1	REAL000000003981	1	52	0.0	-15.82	422.29	9.54	-6.28
CCCC(NC(=O)C1CC1C1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000003982	1	48	0.0	-10.18	372.98	3.94	-6.24
CCCC(NC(=O)C1=CN=C(Br)C(OC)=C1)C1=NNN=N1	REAL000000003983	1	36	0.0	-10.94	322.96	1.75	-9.19
CCCC(NC(=O)C1=CC=C2C(=C1)N=C(C)N2CC1=CSC=C1)C1=NNN=N1	REAL000000003984	1	49	0.0	-15.71	409.93	7.31	-8.40
CCCC(NC(=O)CC(C)(C)CC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000003985	1	48	0.0	-10.93	384.84	7.13	-3.80
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1F)C1=NNN=N1	REAL000000003986	1	39	0.0	-16.68	337.01	4.40	-12.28
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000003987	1	51	0.0	-13.12	399.52	3.34	-9.78
CCCC(NC(=O)C1=C(OC)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000003988	1	44	0.0	-14.69	372.48	4.21	-10.48
CCCC(NC(=O)C1COC2=CC(C)=C(C)C=C21)C1=NNN=N1	REAL000000003989	1	44	0.0	-13.99	355.22	4.58	-9.41
CCCC(NC(=O)C1=CC=C(OC(F)F)C=N1)C1=NNN=N1	REAL000000003990	1	36	0.0	-11.46	314.21	1.45	-10.01
CCCC(NC(=O)C1=CSC(Br)=C1C)C1=NNN=N1	REAL000000003991	1	33	0.0	-10.09	305.63	3.93	-6.16
CCCC(NC(=O)C(=NOCC(=O)OCC)C1=NNC=C1)C1=NNN=N1	REAL000000003992	1	46	0.0	-16.40	394.06	2.66	-13.75
CCCC(NC(=O)C1=CC(N2CC(C)OC(C)C2)=CC=N1)C1=NNN=N1	REAL000000003994	1	51	0.0	-11.23	401.65	2.29	-8.94
CCCC(NC(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=NNN=N1	REAL000000003997	1	39	0.0	-9.95	336.46	4.31	-5.64
CCCC(NC(=O)C1=CC(C(C)=O)=C(C)N=C1C)C1=NNN=N1	REAL000000003998	1	43	0.0	-13.45	346.69	3.63	-9.83
CCCC(NC(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000003999	1	43	0.0	-11.42	357.47	4.96	-6.46
CCCC(NC(=O)C1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000004000	1	53	0.0	-14.94	425.63	4.07	-10.87
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004001	1	54	0.0	-13.63	423.98	6.61	-7.02
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2N1)C1=NNN=N1	REAL000000004002	1	44	0.0	-16.34	367.38	-1.02	-17.36
CCCC(NC(=O)CC1=CC=C(C)C(Br)=C1)C1=NNN=N1	REAL000000004003	1	39	0.0	-12.21	341.85	5.52	-6.69
CCCC(NC(=O)CC1=CC=CC=C1S(C)=O)C1=NNN=N1	REAL000000004005	1	41	0.0	-17.91	343.98	3.52	-14.39
CCCC(NC(=O)COC1=CC=C(CCC(C)=O)C=C1)C1=NNN=N1	REAL000000004006	1	48	0.0	-17.81	398.75	6.34	-11.48
CCCC(NC(=O)C(=O)NC1=CC(OC)=CC=C1OC)C1=NNN=N1	REAL000000004007	1	45	0.0	-10.71	365.14	0.31	-10.40
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=NNN=N1	REAL000000004008	1	36	0.0	-9.77	321.98	4.71	-5.06
CCCC(NC(=O)C1=CC=C(C(C)C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004009	1	44	0.0	-17.05	362.74	6.16	-10.89
CCCC(NC(=O)CC1=CC=C(Br)C=C1O)C1=NNN=N1	REAL000000004010	1	37	0.0	-14.52	333.49	2.16	-12.36
CCCC(NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000004011	1	51	0.0	-10.93	392.41	2.94	-8.00
CCCC(NC(=O)C(C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1=NNN=N1	REAL000000004012	1	52	0.0	-11.75	413.02	-0.77	-12.52
CCCC(NC(=O)C1=CSC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000004013	1	32	0.0	-9.30	305.98	1.77	-7.53
CCCC(NC(=O)C1CCN(C2=C(C#N)N=C(C)O2)CC1)C1=NNN=N1	REAL000000004014	1	48	0.0	-15.46	392.46	0.22	-15.24
CCCC(NC(=O)CCC1=CC=CC(N(C)C)=C1)C1=NNN=N1	REAL000000004015	1	47	0.0	-11.02	374.88	5.53	-5.49
CCCC(NC(=O)C1=CC(Br)=C(C)N=C1OC)C1=NNN=N1	REAL000000004016	1	39	0.0	-11.95	342.41	2.77	-9.18
CCCC(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004017	1	49	0.0	-10.91	379.95	1.92	-8.99
CCCC(NC(=O)C=CC1=CC=CC(OCCOC)=C1)C1=NNN=N1	REAL000000004018	1	48	0.0	-11.71	390.02	4.03	-7.68
CCCC(NC(=O)C(C)OC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004019	1	43	0.0	-13.79	366.62	5.85	-7.94
CCCC(NC(=O)C(C)C1=CN(C)C2=CC=CC=C12)C1=NNN=N1	REAL000000004020	1	46	0.0	-13.19	374.64	6.68	-6.51
CCCC(NC(=O)C1=CC(Cl)=C(OC)C=C1C)C1=NNN=N1	REAL000000004021	1	40	0.0	-9.84	339.19	4.22	-5.62
CCCCN1C=C(C(=O)NC(CCC)C2=NNN=N2)C(C)=N1	REAL000000004022	1	45	0.0	-14.50	365.38	4.42	-10.08
CCCC(NC(=O)CC1=CNC2=CC=CC(OCC)=C12)C1=NNN=N1	REAL000000004023	1	47	0.0	-14.88	384.26	4.67	-10.21
CCCC(NC(=O)C1=C(C)N=C(CC2CC2)O1)C1=NNN=N1	REAL000000004024	1	42	0.0	-7.61	342.60	1.74	-5.87
CCCC(NC(=O)CCC1=NC=C(C(C)(C)C)O1)C1=NNN=N1	REAL000000004026	1	47	0.0	-11.90	382.24	2.61	-9.29
CCCC(NC(=O)CC1=CC=C(F)C=C1Br)C1=NNN=N1	REAL000000004027	1	36	0.0	-10.84	326.98	4.91	-5.93
CCCC(NC(=O)C1=NNC2=C1CCCCC2)C1=NNN=N1	REAL000000004028	1	43	0.0	-9.06	327.67	2.62	-6.44
CCCC(NC(=O)C1=C(C)N=C(CC2CC2)S1)C1=NNN=N1	REAL000000004029	1	42	0.0	-7.33	349.75	4.13	-3.21
CCCC(NC(=O)C1=COC2=CC(C)=C(C)C=C12)C1=NNN=N1	REAL000000004030	1	42	0.0	-11.24	338.24	4.90	-6.33
CCCC(NC(=O)C1=CC(C)=NC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000004031	1	37	0.0	-9.35	332.45	2.70	-6.65
CCCC(NC(=O)CC1=CC=CC(COC)=C1)C1=NNN=N1	REAL000000004032	1	43	0.0	-12.46	357.42	4.04	-8.41
CCCC(NC(=O)C1=CC=C(OCCOC)C=C1Cl)C1=NNN=N1	REAL000000004033	1	44	0.0	-15.01	375.13	3.70	-11.31
CCCC(NC(=O)CCCC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004034	1	45	0.0	-10.14	376.79	6.58	-3.56
CCCC(NC(=O)C1=CN2C=C(C(F)(F)F)N=C2C=C1)C1=NNN=N1	REAL000000004035	1	39	0.0	-14.27	345.37	5.23	-9.04
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC=C2C)S1)C1=NNN=N1	REAL000000004036	1	45	0.0	-10.68	377.37	6.33	-4.35
CCCC(NC(=O)C=CC1=CN=C(OC)N=C1)C1=NNN=N1	REAL000000004037	1	39	0.0	-14.81	334.18	-0.43	-15.24
CCCC(NC(=O)C(F)(F)C1=CC=C(OCC(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000004038	1	50	0.0	-17.96	420.39	5.29	-12.67
CCCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C(Cl)=C1	REAL000000004039	1	46	0.0	-12.38	384.50	6.02	-6.36
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(C)C)=C1)C1=NNN=N1	REAL000000004040	1	45	0.0	-15.73	370.34	2.37	-13.35
CCCC(NC(=O)CCC1=CC=CC2=C1OCO2)C1=NNN=N1	REAL000000004041	1	42	0.0	-10.81	342.59	3.48	-7.33
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)C)N=C1)C1=NNN=N1	REAL000000004042	1	43	0.0	-16.03	369.29	-0.23	-16.27
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC)N=C1)C1=NNN=N1	REAL000000004043	1	40	0.0	-16.54	350.33	-2.07	-18.61
CCCC(NC(=O)C1=NOC(CSCC)=C1)C1=NNN=N1	REAL000000004044	1	39	0.0	-10.38	344.56	3.87	-6.51
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CC2=C1)C1=NNN=N1	REAL000000004045	1	54	0.0	-15.43	428.94	6.00	-9.43
CCCC(NC(=O)C1=CN=C(C(F)(F)F)N=C1)C1=NNN=N1	REAL000000004046	1	34	0.0	-11.34	308.42	2.06	-9.28
CCCC(NC(=O)CCC1=NC(N(C)C)=NO1)C1=NNN=N1	REAL000000004047	1	42	0.0	-13.25	351.19	3.05	-10.20
CCCC(NC(=O)C1=NOC(COC(C)(C)C)=C1)C1=NNN=N1	REAL000000004048	1	45	0.0	-9.98	368.19	2.95	-7.04
CCCC(NC(=O)[C@H](C)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000004049	1	43	0.0	-10.91	349.44	4.99	-5.92
CCCC(NC(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=NNN=N1	REAL000000004050	1	41	0.0	-13.38	339.15	4.87	-8.51
CCCC(NC(=O)C1=CC(=O)NC(C2CC2)=C1)C1=NNN=N1	REAL000000004051	1	40	0.0	-13.83	325.19	2.50	-11.33
CCCC(NC(=O)C1CC12CCS(=O)(=O)CC2)C1=NNN=N1	REAL000000004052	1	43	0.0	-19.07	354.26	1.13	-17.95
CCCC(NC(=O)C1=CC=NC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000004053	1	37	0.0	-20.27	328.14	-3.28	-23.55
CCCC(NC(=O)C(C)C1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000004054	1	53	0.0	-16.29	415.67	4.17	-12.12
CCCC(NC(=O)CCC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000004055	1	49	0.0	-8.95	390.78	8.24	-0.72
CCCC(NC(=O)C1=CN(CC2=CC=C(OC)C(OC)=C2)N=C1)C1=NNN=N1	REAL000000004056	1	51	0.0	-16.91	422.94	4.48	-12.44
CCCC(NC(=O)CCCCCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004057	1	48	0.0	-12.72	394.66	7.55	-5.17
CCCC(NC(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004058	1	36	0.0	-9.62	333.50	5.18	-4.44
CCCC(NC(=O)CCC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000004059	1	42	0.0	-10.62	362.39	6.28	-4.33
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2F)S1)C1=NNN=N1	REAL000000004060	1	42	0.0	-10.95	373.69	5.33	-5.62
CCCC(NC(=O)C1=CC=C(OC)C(Cl)=C1OC)C1=NNN=N1	REAL000000004061	1	41	0.0	-14.84	351.58	4.16	-10.68
CCCC(NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000004062	1	53	0.0	-14.94	404.54	4.11	-10.83
CCCC(NC(=O)C(O)CC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004063	1	43	0.0	-11.71	372.22	4.03	-7.68
CCCC(NC(=O)C1=CN2C(=NN=C2C(C)(C)C)C=C1)C1=NNN=N1	REAL000000004064	1	47	0.0	-16.02	374.99	6.07	-9.95
CCCC(NC(=O)CC1=CC(F)=CC=C1OC)C1=NNN=N1	REAL000000004065	1	40	0.0	-12.73	337.07	3.77	-8.96
CCCC(NC(=O)CCC(=O)C1=CC=CC=N1)C1=NNN=N1	REAL000000004066	1	40	0.0	-12.72	340.46	3.31	-9.41
CCCC(NC(=O)CC1(CSC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000004067	1	47	0.0	-10.85	390.87	7.55	-3.30
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1C)C1=NNN=N1	REAL000000004068	1	43	0.0	-12.24	357.54	5.52	-6.72
CCCC(NC(=O)CCCCC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004069	1	47	0.0	-13.66	393.37	6.60	-7.06
CCCC(NC(=O)C1=CN=C2C(F)=CC(F)=CC2=C1O)C1=NNN=N1	REAL000000004070	1	39	0.0	-9.76	332.38	2.31	-7.44
CCCC(NC(=O)CCC1=C2C=CC=CC2=CN=C1)C1=NNN=N1	REAL000000004071	1	44	0.0	-12.27	361.65	5.48	-6.79
CCCC(NC(=O)C1=CC=CC(CC(=O)OC)=C1)C1=NNN=N1	REAL000000004072	1	42	0.0	-15.47	354.68	5.08	-10.39
CCCC(NC(=O)[C@@H](C)C1=CC=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000004074	1	49	0.0	-11.18	386.36	6.09	-5.09
CCCC(NC(=O)C(C)NC(=O)CC(C)(C)C)C1=NNN=N1	REAL000000004075	1	48	0.0	-7.89	366.90	2.25	-5.64
CCCC(NC(=O)C=CC1=CC=C(OCC)C(C)=C1)C1=NNN=N1	REAL000000004076	1	47	0.0	-11.90	383.58	5.85	-6.05
CCCC(NC(=O)C=CC1=CC=C(OC(C)C)C(C)=C1)C1=NNN=N1	REAL000000004077	1	50	0.0	-8.82	394.29	6.15	-2.67
CCCC(NC(=O)C1=C(I)C=NN1)C1=NNN=N1	REAL000000004078	1	30	0.0	-10.12	284.60	1.22	-8.90
CCCC(NC(=O)CCC(=O)C1=CC=C(Cl)C=N1)C1=NNN=N1	REAL000000004079	1	40	0.0	-10.84	357.22	3.82	-7.02
CCCC(NC(=O)C1=NC(C)=NC=C1Br)C1=NNN=N1	REAL000000004080	1	34	0.0	-8.81	308.33	2.31	-6.50
CCCC(NC(=O)C1=COC(C2CCCCC2)=N1)C1=NNN=N1	REAL000000004081	1	45	0.0	-9.03	362.66	2.28	-6.76
CCCC(NC(=O)C1=CC=CC(C2=CN=C3NC(=O)N(C)C3=C2)=C1)C1=NNN=N1	REAL000000004082	1	49	0.0	-19.42	404.91	5.20	-14.22
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1N)C1=NNN=N1	REAL000000004083	1	37	0.0	-11.40	316.25	2.55	-8.85
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000004084	1	40	0.0	-11.75	340.46	1.97	-9.78
CCCC(NC(=O)CNC(=O)C1=CC=NC=C1)C1=NNN=N1	REAL000000004085	1	39	0.0	-12.77	331.89	0.38	-12.38
CCCC(NC(=O)C1=CC=C(C#N)C(Cl)=C1)C1=NNN=N1	REAL000000004086	1	34	0.0	-10.53	306.71	4.14	-6.39
CCCC(NC(=O)CNC(=O)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000004087	1	37	0.0	-10.82	350.48	1.86	-8.96
CCCC(NC(=O)CNC(=O)C1=CC=CC(O)=C1)C1=NNN=N1	REAL000000004088	1	41	0.0	-14.20	347.73	-0.69	-14.89
CCCC(NC(=O)CNC(=O)C1=CC(F)=CC(F)=C1)C1=NNN=N1	REAL000000004089	1	40	0.0	-10.99	349.52	2.29	-8.70
CCCC(NC(=O)CNC(=O)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000004090	1	40	0.0	-11.97	349.39	2.29	-9.69
CCCC(NC(=O)CNC(=O)C1=CC2=C(CCC2)S1)C1=NNN=N1	REAL000000004091	1	44	0.0	-10.06	367.53	2.86	-7.21
CCCC(NC(=O)CNC(=O)C1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000004092	1	40	0.0	-14.82	362.48	2.48	-12.34
CCCC(NC(=O)C1=CC=C2C(=C1)CCN2C)C1=NNN=N1	REAL000000004093	1	42	0.0	-11.54	338.46	3.50	-8.03
CCCC(NC(=O)C(C#N)=CC1=CC=C(O)C=C1)C1=NNN=N1	REAL000000004094	1	39	0.0	-11.09	331.48	1.77	-9.32
CCCC(NC(=O)C1=CN(C)C(=O)C(CC)=C1)C1=NNN=N1	REAL000000004095	1	42	0.0	-14.57	344.78	3.89	-10.68
CCCC(NC(=O)C1CCN(C(=O)C(C)CSC)CC1)C1=NNN=N1	REAL000000004096	1	53	0.0	-14.29	420.92	5.18	-9.11
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=NNN=N1	REAL000000004098	1	41	0.0	-17.03	360.03	5.21	-11.82
CCCC(NC(=O)C1=C(Br)SC(C)=C1C)C1=NNN=N1	REAL000000004099	1	36	0.0	-9.62	333.50	4.52	-5.10
CCCC(NC(=O)[C@@H](C)NC(=O)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000004100	1	49	0.0	-12.31	402.28	4.48	-7.83
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1C)C1=NNN=N1	REAL000000004101	1	43	0.0	-11.95	363.94	5.57	-6.38
CCCC(NC(=O)C(F)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004102	1	39	0.0	-13.43	344.88	5.35	-8.08
CCCC(NC(=O)C1=CC2=C(C=N1)CCCC2)C1=NNN=N1	REAL000000004103	1	42	0.0	-10.14	337.69	4.41	-5.73
CCCC(NC(=O)CC1CCC(C(C)(C)CC)CC1)C1=NNN=N1	REAL000000004104	1	57	0.0	-9.08	405.20	7.15	-1.93
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000004105	1	50	0.0	-13.48	380.68	6.45	-7.03
CCCC(NC(=O)C1=CN=C(C2OCCO2)S1)C1=NNN=N1	REAL000000004107	1	38	0.0	-13.27	333.45	0.46	-12.81
CCCC(NC(=O)C(CCC)C1=CC=CC=N1)C1=NNN=N1	REAL000000004109	1	44	0.0	-7.97	344.45	4.28	-3.69
CCCC(NC(=O)C1=NN=C(C(C)(C)C)S1)C1=NNN=N1	REAL000000004110	1	40	0.0	-9.59	343.18	2.26	-7.33
CCCC(NC(=O)C1=CC=C2C(Br)=CC=CC2=C1)C1=NNN=N1	REAL000000004111	1	39	0.0	-7.90	334.96	6.09	-1.81
CCCC(NC(=O)C(C)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004112	1	42	0.0	-8.69	349.84	5.55	-3.14
CCCC(NC(=O)C1CCC2=CC(C)=CC=C2O1)C1=NNN=N1	REAL000000004113	1	44	0.0	-14.35	355.88	5.98	-8.37
CCCC(NC(=O)C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1)C1=NNN=N1	REAL000000004114	1	41	0.0	-14.11	375.74	5.99	-8.12
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(OC)C=C2F)S1)C1=NNN=N1	REAL000000004115	1	46	0.0	-11.03	394.68	4.49	-6.54
CCCC(NC(=O)C1=C(C)N=C2C(=C1)C=NN2CC)C1=NNN=N1	REAL000000004116	1	44	0.0	-10.72	353.10	4.02	-6.70
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C1=NNN=N1	REAL000000004117	1	39	0.0	-19.00	330.75	5.29	-13.72
CCCC(NC(=O)C1=C2C(=NC(CC)=C1)ON=C2C(C)C)C1=NNN=N1	REAL000000004118	1	49	0.0	-13.75	398.55	3.23	-10.52
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1CC)C1=NNN=N1	REAL000000004119	1	46	0.0	-10.02	367.72	6.90	-3.12
CCCC(NC(=O)C1=CC2=C(N=C(N3CCCC3)S2)S1)C1=NNN=N1	REAL000000004120	1	44	0.0	-8.34	374.74	3.70	-4.63
CCCC(NC(=O)C1=C2C=CC=NC2=C(Cl)C=C1)C1=NNN=N1	REAL000000004121	1	38	0.0	-9.98	322.36	4.28	-5.70
CCCC(NC(=O)C1=CN=CC(OCCOC)=C1)C1=NNN=N1	REAL000000004122	1	43	0.0	-13.81	357.76	1.35	-12.47
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1N)C1=NNN=N1	REAL000000004123	1	37	0.0	-10.50	333.41	3.35	-7.14
CCCC(NC(=O)C1=CC=C(OC(=O)OCC)C=C1)C1=NNN=N1	REAL000000004125	1	43	0.0	-13.58	365.96	5.59	-8.00
CCCC(NC(=O)C1CC12CCC1=CC(Br)=CC=C12)C1=NNN=N1	REAL000000004126	1	44	0.0	-8.31	364.68	7.04	-1.27
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000004127	1	43	0.0	-9.39	365.30	4.85	-4.54
CCCC(NC(=O)C1=C2N=NN(C)C2=NC=C1)C1=NNN=N1	REAL000000004128	1	37	0.0	-22.57	315.74	1.49	-21.08
CCCC(NC(=O)C1CCN(CC(F)F)CC1)C1=NNN=N1	REAL000000004129	1	44	0.0	-11.22	341.44	1.96	-9.25
CCCC(NC(=O)C1C2C3CC4C5CC(C2C35)C41)C1=NNN=N1	REAL000000004130	1	46	0.0	-9.72	337.51	5.92	-3.79
CCCC(NC(=O)C1=C(Br)N(C)N=C1C)C1=NNN=N1	REAL000000004131	1	36	0.0	-11.15	326.38	2.37	-8.79
CCCC(NC(=O)CC1=C(F)C=CC(Br)=C1F)C1=NNN=N1	REAL000000004132	1	36	0.0	-11.82	333.57	5.00	-6.83
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2N=C1C)C1=NNN=N1	REAL000000004133	1	44	0.0	-21.95	364.56	4.68	-17.27
CCCC(NC(=O)C1=C(N)N(CC(OCC)OCC)N=C1)C1=NNN=N1	REAL000000004134	1	52	0.0	-11.41	418.15	2.06	-9.35
CCCC(NC(=O)C1=COC2=CC=C(OC)C=C12)C1=NNN=N1	REAL000000004135	1	40	0.0	-17.99	335.89	3.29	-14.70
CCCC(NC(=O)C1=C2C(CC(C)(C)C)=NOC2=NC(CC)=C1)C1=NNN=N1	REAL000000004136	1	55	0.0	-14.21	424.30	5.09	-9.12
CCCC1=NOC2=NC(CC)=CC(C(=O)NC(CCC)C3=NNN=N3)=C12	REAL000000004137	1	49	0.0	-15.14	392.91	3.73	-11.41
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000004138	1	43	0.0	-23.57	373.83	1.55	-22.02
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C(C)C)C1=NNN=N1	REAL000000004140	1	55	0.0	-16.16	418.56	3.42	-12.74
CCCC(NC(=O)C1=C(C)N(C)C2=NN=NN2C1)C1=NNN=N1	REAL000000004141	1	41	0.0	-12.98	337.34	3.40	-9.58
CCCC(NC(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=NNN=N1	REAL000000004142	1	38	0.0	-19.45	325.30	1.77	-17.68
CCCC(NC(=O)C1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=NNN=N1	REAL000000004143	1	36	0.0	-9.31	334.50	4.76	-4.55
CCCC(NC(=O)C1=C(C)N(CCOC2=CC=C(F)C=C2)N=N1)C1=NNN=N1	REAL000000004144	1	49	0.0	-12.50	412.57	4.00	-8.50
CCCC(NC(=O)C1=C(C)N(C2=CC=CC=C2OC)N=C1)C1=NNN=N1	REAL000000004145	1	47	0.0	-12.57	377.52	4.43	-8.14
CCCC(NC(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=NNN=N1	REAL000000004146	1	36	0.0	-13.92	315.12	-1.17	-15.09
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000004147	1	44	0.0	-18.80	375.24	1.61	-17.20
CCCC(NC(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=NNN=N1	REAL000000004148	1	36	0.0	-11.40	325.79	3.82	-7.58
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004149	1	40	0.0	-20.84	350.40	-0.12	-20.97
CCCC(NC(=O)C1=CC=C2NC(=O)NC2=N1)C1=NNN=N1	REAL000000004150	1	36	0.0	-13.00	310.56	-0.23	-13.24
CCCC(NC(=O)C1=CSC2=CC(C)=CC=C12)C1=NNN=N1	REAL000000004151	1	39	0.0	-12.20	333.50	5.64	-6.56
CCCC(NC(=O)CN1CCC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004152	1	44	0.0	-21.48	361.18	4.77	-16.71
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(N(C)C)C=C1F)C1=NNN=N1	REAL000000004153	1	43	0.0	-12.27	362.37	5.03	-7.25
CCCC(NC(=O)CCCC(=O)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000004154	1	44	0.0	-19.21	386.76	6.37	-12.84
CCCC(NC(=O)C1=CC=C(NC(C)C)N=C1)C1=NNN=N1	REAL000000004155	1	43	0.0	-8.16	340.78	2.71	-5.45
CCCC(NC(=O)C1=CC=C(OC(F)(F)Cl)C=C1)C1=NNN=N1	REAL000000004156	1	37	0.0	-9.39	334.11	3.98	-5.41
CCCC(NC(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000004157	1	44	0.0	-20.92	357.25	4.35	-16.57
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC(F)(F)F)C1=NNN=N1	REAL000000004158	1	43	0.0	-11.53	368.26	6.46	-5.08
CCCCCCCCCC(C)CC(=O)NC(CCC)C1=NNN=N1	REAL000000004159	1	59	0.0	-9.18	449.29	8.85	-0.33
CCCC(NC(=O)CC(C)C1=CNC2=CC=CC=C12)C1=NNN=N1	REAL000000004160	1	46	0.0	-12.77	371.77	5.71	-7.06
CCCC(NC(=O)C(CC(N)=O)NC(=O)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004161	1	47	0.0	-28.08	405.63	0.62	-27.46
CCCC(NC(=O)CNS(=O)(=O)C1=CNC2=NC=CC=C12)C1=NNN=N1	REAL000000004162	1	44	0.0	-20.13	378.01	-1.06	-21.19
CCCC(NC(=O)C1=NC2=CC=CN=C2S1)C1=NNN=N1	REAL000000004164	1	34	0.0	-12.44	299.96	0.86	-11.58
CCCC(NC(=O)C1=CC=C(Cl)C(N)=C1Cl)C1=NNN=N1	REAL000000004165	1	35	0.0	-10.94	317.31	2.69	-8.24
CCCC(NC(=O)C1=CC=C(NCC2CC2)N=C1)C1=NNN=N1	REAL000000004166	1	44	0.0	-10.86	360.49	3.92	-6.95
CCCC(NC(=O)C1CCCC2=NN(C)C=C21)C1=NNN=N1	REAL000000004167	1	43	0.0	-13.37	340.17	3.93	-9.44
CCCC(NC(=O)C1=C(C)N=C(C2CC2)S1)C1=NNN=N1	REAL000000004168	1	39	0.0	-10.20	335.05	3.81	-6.38
CCCC(NC(=O)C1(C2=CN=CC(Br)=C2)CC1)C1=NNN=N1	REAL000000004169	1	39	0.0	-10.27	345.56	4.17	-6.11
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000004170	1	49	0.0	-14.30	398.21	3.63	-10.68
CCCC(NC(=O)CC1=C(Br)C(=O)NC=C1)C1=NNN=N1	REAL000000004171	1	36	0.0	-22.29	324.25	1.76	-20.52
CCCC(NC(=O)CCCC(C)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000004172	1	52	0.0	-12.96	410.53	6.36	-6.59
CCCC(NC(=O)C1=CN(C2=CC(C)=CC(F)=C2)N=N1)C1=NNN=N1	REAL000000004173	1	42	0.0	-10.41	362.89	4.08	-6.33
CCCC(NC(=O)C1CCCC2=C1N=C(C)S2)C1=NNN=N1	REAL000000004174	1	42	0.0	-7.83	339.74	4.10	-3.73
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=CN1)C1=NNN=N1	REAL000000004175	1	41	0.0	-14.50	359.21	5.51	-9.00
CCCC(NC(=O)C1=C(C)C2=CC(C)=C(C)C=C2S1)C1=NNN=N1	REAL000000004176	1	45	0.0	-9.78	370.44	6.92	-2.87
CCCC(NC(=O)C1CC(=O)NC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000004177	1	41	0.0	-12.70	352.14	2.95	-9.75
CCCC(NC(=O)CC1CC(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004178	1	46	0.0	-10.96	367.08	6.91	-4.05
CCCC(NC(=O)C1=CC=CC(F)=C1SC)C1=NNN=N1	REAL000000004179	1	37	0.0	-14.11	323.50	4.82	-9.29
CCCC(NC(=O)[C@H](C)OC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000004180	1	40	0.0	-13.33	349.20	5.46	-7.86
CCCC(NC(=O)C(CCC(F)(F)F)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004181	1	52	0.0	-10.52	419.58	3.03	-7.49
CCCC(NC(=O)C1=CC(S(=O)(=O)C2CCCC2)=CC=C1F)C1=NNN=N1	REAL000000004182	1	49	0.0	-14.83	398.82	3.77	-11.06
CCCC(NC(=O)C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1)C1=NNN=N1	REAL000000004183	1	40	0.0	-13.44	369.47	6.91	-6.53
CCCC(NC(=O)C1=CC=C(C)C(C(C)=O)=C1)C1=NNN=N1	REAL000000004184	1	41	0.0	-9.30	327.06	4.42	-4.88
CCCC(NC(=O)CC1=CC(OC)=C(O)C(OC)=C1)C1=NNN=N1	REAL000000004185	1	45	0.0	-17.90	371.83	1.38	-16.52
CCCC(NC(=O)C1CCC(C(F)(F)F)CC1)C1=NNN=N1	REAL000000004186	1	42	0.0	-8.56	322.63	4.21	-4.35
CCCC(NC(=O)CC1=CC=CC=C1NC(C)=O)C1=NNN=N1	REAL000000004187	1	43	0.0	-17.25	355.56	3.43	-13.82
CCCC(NC(=O)C1=CC=C(OC)C(C2CC2)=C1)C1=NNN=N1	REAL000000004188	1	44	0.0	-12.11	355.20	5.14	-6.97
CCCC(NC(=O)C1=CC=C(OC)C(OCCO)=C1)C1=NNN=N1	REAL000000004189	1	45	0.0	-13.47	362.37	0.43	-13.03
CCCC(NC(=O)C1=C2C=CC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000004190	1	39	0.0	-11.34	324.74	5.93	-5.41
CCCC(NC(=O)CC(CNC(=O)OC(C)(C)C)OC)C1=NNN=N1	REAL000000004191	1	53	0.0	-11.04	407.99	1.40	-9.64
CCCC(NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL000000004192	0	39	0.0	-76.40	334.25	3.52	-72.88
CCCC(NC(=O)C1=CC=C(S(=O)(=O)N(C)CCO)C=C1)C1=NNN=N1	REAL000000004193	1	48	0.0	-16.07	400.95	-0.70	-16.77
CCCC(NC(=O)C1=C(C)OC(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000004194	1	38	0.0	-13.84	328.79	-2.89	-16.73
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C(C)=C1)C1=NNN=N1	REAL000000004195	1	42	0.0	-17.31	355.46	5.41	-11.90
CCCC(NC(=O)C(F)(F)C1=NC=CC=C1C)C1=NNN=N1	REAL000000004196	1	38	0.0	-11.88	321.18	3.81	-8.07
CCCC(NC(=O)C(CC(N)=O)NC(=O)CC(C)C)C1=NNN=N1	REAL000000004198	1	49	0.0	-12.44	383.88	-0.42	-12.86
CCCC(NC(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=NNN=N1	REAL000000004199	1	48	0.0	-9.86	387.99	8.48	-1.38
CCCC(NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1)C1=NNN=N1	REAL000000004200	1	45	0.0	-9.88	350.99	4.21	-5.67
CCCC(NC(=O)C1=CC=C(Br)C2=C1OCCC2)C1=NNN=N1	REAL000000004201	1	41	0.0	-12.56	347.30	6.07	-6.49
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=NNN=N1	REAL000000004202	1	37	0.0	-9.29	339.71	5.47	-3.82
CCCC(NC(=O)C1=C(C)N(CC2=NOC(C)=N2)N=N1)C1=NNN=N1	REAL000000004203	1	43	0.0	-14.85	367.75	-0.12	-14.96
CCCC(NC(=O)C1=CN(CC2=NOC(C)=N2)N=N1)C1=NNN=N1	REAL000000004204	1	40	0.0	-16.32	351.85	-0.67	-16.98
CCCC(NC(=O)C1=C(Br)C(CC)=NN1)C1=NNN=N1	REAL000000004205	1	36	0.0	-10.70	321.64	2.08	-8.62
CCCC(NC(=O)CC1=CC=CN=C1Br)C1=NNN=N1	REAL000000004207	1	35	0.0	-15.28	315.12	2.93	-12.35
CCCC(NC(=O)C(C)N1C=CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004208	1	45	0.0	-17.31	367.47	5.47	-11.85
CCCC(NC(=O)C1=C(Cl)C(C)=C(S(N)(=O)=O)S1)C1=NNN=N1	REAL000000004210	1	38	0.0	-16.90	355.61	-1.22	-18.11
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1F)C1=NNN=N1	REAL000000004211	1	33	0.0	-11.35	319.59	4.85	-6.50
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1F)C1=NNN=N1	REAL000000004212	1	33	0.0	-14.29	317.81	4.79	-9.50
CCCC(NC(=O)C1=CN(C)C2=CC=C(F)C=C12)C1=NNN=N1	REAL000000004213	1	40	0.0	-14.70	331.62	5.08	-9.62
CCCC(NC(=O)C1=CN(CCCC#N)C2=CC=CC=C12)C1=NNN=N1	REAL000000004214	1	47	0.0	-26.67	396.75	7.54	-19.14
CCCC(NC(=O)CC1=CSC(CC2=CC=CC(Cl)=C2)=N1)C1=NNN=N1	REAL000000004215	1	45	0.0	-14.34	405.92	6.49	-7.85
CCCC(NC(=O)C1CC(C2=C(F)C=CC=C2F)=NO1)C1=NNN=N1	REAL000000004216	1	41	0.0	-15.80	352.56	4.60	-11.20
CCCC(NC(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=NNN=N1	REAL000000004217	1	39	0.0	-12.29	336.08	4.04	-8.25
CCCC(NC(=O)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1)C1=NNN=N1	REAL000000004218	1	43	0.0	-11.38	370.73	3.75	-7.63
CCCC(NC(=O)C1CCC2=C(C1)N(C)N=C2)C1=NNN=N1	REAL000000004219	1	43	0.0	-10.30	336.26	3.39	-6.90
CCCC(NC(=O)CC1=CC=C(S(C)=O)C=C1)C1=NNN=N1	REAL000000004220	1	41	0.0	-19.94	347.38	2.60	-17.35
CCCC(NC(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=NNN=N1	REAL000000004221	1	40	0.0	-10.17	336.69	5.75	-4.42
CCCC(NC(=O)CCCOC1=CC=C2CCC(=O)NC2=C1)C1=NNN=N1	REAL000000004222	1	51	0.0	-19.17	413.55	3.92	-15.25
CCCC(NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2)N=N1)C1=NNN=N1	REAL000000004223	1	45	0.0	-13.61	379.05	4.28	-9.33
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@H+](C(C)C)C2)C1=NN=N[N-]1	REAL000000004224	0	58	0.0	-69.98	447.68	9.15	-60.83
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@@H+](C(C)C)C2)C1=NN=N[N-]1	REAL000000004224	1	58	0.0	-70.73	448.31	9.16	-61.57
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@H+](C(C)C)C2)C1=N[N-]N=N1	REAL000000004224	1	58	0.0	-69.97	447.63	9.15	-60.81
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@@H+](C(C)C)C2)C1=N[N-]N=N1	REAL000000004224	1	58	0.0	-70.73	448.26	9.17	-61.57
CCCC(NC(=O)C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004225	1	45	0.0	-25.30	387.88	5.40	-19.90
CCCC(NC(=O)C1=CC=C2OC(C)=NC2=C1)C1=NNN=N1	REAL000000004227	1	38	0.0	-16.37	321.30	1.32	-15.04
CCCC(NC(=O)C1=C2N=C(C)OC2=CC=C1)C1=NNN=N1	REAL000000004228	1	38	0.0	-19.99	320.91	1.54	-18.44
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(F)C=C1N)C1=NNN=N1	REAL000000004229	1	37	0.0	-12.00	320.77	2.57	-9.43
CCCC(NC(=O)C(C)C(C)S(C)(=O)=O)C1=NNN=N1	REAL000000004230	1	41	0.0	-14.71	328.54	0.13	-14.58
CCCC(NC(=O)C1=CC=C2NC(OCC)=NC2=C1)C1=NNN=N1	REAL000000004231	1	43	0.0	-12.11	350.81	0.74	-11.36
CCCC(NC(=O)C1=C(Br)OC=C1)C1=NNN=N1	REAL000000004232	1	30	0.0	-8.71	272.95	2.00	-6.71
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])C1=NNN=N1	REAL000000004233	1	44	0.0	-22.32	375.17	6.97	-15.35
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000004234	1	44	0.0	-10.75	376.26	5.46	-5.29
CCCC(NC(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=NNN=N1	REAL000000004235	1	40	0.0	-13.62	357.30	5.03	-8.58
CCCC(NC(=O)CC1=CC=CC(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000004236	1	47	0.0	-18.47	379.68	5.46	-13.01
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1F)C1=NNN=N1	REAL000000004237	1	36	0.0	-15.61	317.14	4.83	-10.78
CCCC(NC(=O)CN1C=C(C2=CC=CC=C2)C(C)=N1)C1=NNN=N1	REAL000000004238	1	46	0.0	-17.17	381.94	5.88	-11.29
CCCC(NC(=O)C(C)OC1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000004239	1	46	0.0	-15.64	372.94	7.12	-8.52
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C(OC)=C2)S1)C1=NNN=N1	REAL000000004240	1	47	0.0	-11.79	395.96	3.48	-8.31
CCCC(NC(=O)C1CCN(C(=O)OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004241	1	51	0.0	-15.96	418.97	5.65	-10.31
CCCC(NC(=O)C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl)C1=NNN=N1	REAL000000004242	1	46	0.0	-13.00	386.76	7.12	-5.88
CCCC(NC(=O)C1=C(F)C=C2N=CC=NC2=C1)C1=NNN=N1	REAL000000004243	1	37	0.0	-15.55	318.27	2.18	-13.37
CCCC(NC(=O)C1=C(C)N(CC2CCCC2)N=N1)C1=NNN=N1	REAL000000004244	1	48	0.0	-10.96	382.52	4.04	-6.92
CCCC(NC(=O)C1=CC=C(OC2CCOC2)C=C1)C1=NNN=N1	REAL000000004245	1	45	0.0	-9.54	355.75	3.00	-6.54
CCCC(NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)C1=NNN=N1	REAL000000004246	1	55	0.0	-17.18	422.18	4.32	-12.86
CCCC(NC(=O)CCC(O)C1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000004247	1	55	0.0	-8.79	421.40	4.82	-3.98
CCCC(NC(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=NNN=N1	REAL000000004248	1	39	0.0	-13.12	331.01	4.32	-8.81
CCCC(NC(=O)CC1=C(C)C=CC=C1Cl)C1=NNN=N1	REAL000000004249	1	39	0.0	-8.53	326.23	4.95	-3.58
CCCC(NC(=O)C1CCC(=O)C2=CC=CN21)C1=NNN=N1	REAL000000004250	1	40	0.0	-14.31	325.23	4.18	-10.14
CCCC(NC(=O)C1=CC=CC2=C1OCC2(C)C)C1=NNN=N1	REAL000000004251	1	44	0.0	-15.35	353.58	5.55	-9.80
CCCC(NC(=O)CC1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000004252	1	36	0.0	-11.50	331.77	5.22	-6.28
CCCC(NC(=O)CC1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000004253	1	52	0.0	-15.66	417.95	2.95	-12.71
CCCC(NC(=O)CC1=CSC2=CC=C(Br)C=C12)C1=NNN=N1	REAL000000004254	1	39	0.0	-11.94	359.96	6.28	-5.66
CCCC(NC(=O)C1=CC(C2CC2)=CN=C1Cl)C1=NNN=N1	REAL000000004255	1	39	0.0	-12.89	334.67	4.40	-8.49
CCCC(NC(=O)CC1=C(C)N=C(SC(F)F)S1)C1=NNN=N1	REAL000000004256	1	39	0.0	-16.08	361.45	3.86	-12.22
CCCC(NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2F)N=N1)C1=NNN=N1	REAL000000004257	1	45	0.0	-12.13	379.78	4.20	-7.93
CCCC(NC(=O)CCC1=CC=CC=C1C(N)=O)C1=NNN=N1	REAL000000004258	1	43	0.0	-15.27	349.69	1.89	-13.39
CCCC(NC(=O)CN1C=CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004259	1	42	0.0	-16.62	345.69	4.89	-11.73
CCCC(NC(=O)CC1=CC=C(I)C=C1)C1=NNN=N1	REAL000000004260	1	36	0.0	-11.46	330.13	5.41	-6.05
CCCC(NC(=O)CC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000004261	1	40	0.0	-17.68	336.90	1.11	-16.57
CCCC(NC(=O)CC1CC(C)C2=C(C)C=CC=C21)C1=NNN=N1	REAL000000004262	1	49	0.0	-11.65	375.16	7.17	-4.48
CCCC(NC(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=NNN=N1	REAL000000004263	1	44	0.0	-14.28	363.25	5.98	-8.31
CCCC(NC(=O)CCOCC(F)(F)C(F)F)C1=NNN=N1	REAL000000004264	1	39	0.0	-10.60	334.86	2.54	-8.06
CCCC(NC(=O)C(CNC(=O)OC(C)(C)C)CC(C)(C)C)C1=NNN=N1	REAL000000004265	1	61	0.0	-13.51	430.32	3.75	-9.77
CCCC(NC(=O)C1CCCC2=C(O)C=CC=C21)C1=NNN=N1	REAL000000004266	1	44	0.0	-11.21	348.22	3.37	-7.83
CCCC(NC(=O)C1CCC(OCCOC)CC1)C1=NNN=N1	REAL000000004267	1	50	0.0	-11.18	377.76	2.68	-8.50
CCCC(NC(=O)C1=CC2=C(OC)C=CC(F)=C2N1)C1=NNN=N1	REAL000000004268	1	41	0.0	-12.21	347.48	2.96	-9.25
CCCC(NC(=O)C1=C(C)N=C2C=CC(Br)=CN21)C1=NNN=N1	REAL000000004269	1	39	0.0	-11.87	350.94	5.09	-6.78
CCCC(NC(=O)CC1=NC(C(C)C)=C(C)S1)C1=NNN=N1	REAL000000004270	1	44	0.0	-13.87	369.72	4.09	-9.78
CCCC(NC(=O)C1=CNC2=NC=C(Br)C=C12)C1=NNN=N1	REAL000000004271	1	36	0.0	-16.51	326.43	3.49	-13.02
CCCC(NC(=O)C1N(C(=O)OC(C)(C)C)CC1(C)C)C1=NNN=N1	REAL000000004272	1	53	0.0	-14.47	404.85	4.43	-10.04
CCCC(NC(=O)C1=CC(I)=C(C)C=C1C)C1=NNN=N1	REAL000000004273	1	39	0.0	-8.35	339.12	5.98	-2.38
CCCC(NC(=O)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)C1=NNN=N1	REAL000000004274	1	45	0.0	-11.63	373.14	4.11	-7.52
CCCC(NC(=O)CN1C(C)=NC2=CC(F)=C(F)C=C21)C1=NNN=N1	REAL000000004275	1	42	0.0	-15.58	355.02	4.97	-10.61
CCCC(NC(=O)C1=CC=C2N=C(C)N(C)C2=C1)C1=NNN=N1	REAL000000004276	1	42	0.0	-15.42	345.43	4.80	-10.62
CCCC(NC(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=NNN=N1	REAL000000004277	1	43	0.0	-16.08	354.27	5.62	-10.46
CCCC(NC(=O)CC(C)(C)C1CCCCC1)C1=NNN=N1	REAL000000004278	1	51	0.0	-8.26	364.93	6.00	-2.26
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NN=N[N-]1	REAL000000004279	0	51	0.0	-73.35	393.96	7.37	-65.97
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=N[N-]N=N1	REAL000000004279	1	51	0.0	-73.35	393.90	7.38	-65.97
CCCC(NC(=O)C1CC12CN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000004280	1	51	0.0	-12.90	398.32	3.96	-8.95
CCCC(NC(=O)[C@H](C)OC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004282	1	46	0.0	-16.05	374.69	7.04	-9.01
CCCC(NC(=O)C1=C2C=CN(CC(C)C)C2=CC=C1)C1=NNN=N1	REAL000000004283	1	49	0.0	-10.65	377.39	6.98	-3.66
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=NNN=N1	REAL000000004284	1	38	0.0	-10.89	320.86	4.66	-6.22
CCCC(NC(=O)C1=NN(C2CCCCC2)C=C1)C1=NNN=N1	REAL000000004285	1	46	0.0	-8.89	357.80	4.36	-4.53
CCCC(NC(=O)C1CC(C2=CC(OC)=CC=C2OC)=NO1)C1=NNN=N1	REAL000000004286	1	49	0.0	-21.10	402.57	3.86	-17.24
CCCC(NC(=O)C1CC(C2=CC=CC(OC)=C2)=NO1)C1=NNN=N1	REAL000000004287	1	45	0.0	-23.68	375.04	4.34	-19.34
CCCC(NC(=O)CCSCC1=CC=CC=C1)C1=NNN=N1	REAL000000004288	1	43	0.0	-7.77	361.28	6.17	-1.60
CCCC(NC(=O)CC1=C(C)N=C(SC(F)(F)F)S1)C1=NNN=N1	REAL000000004289	1	39	0.0	-11.11	360.85	3.73	-7.38
CCCC(NC(=O)CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000004290	1	38	0.0	-14.94	345.60	5.23	-9.71
CCCC(NC(=O)CCC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004291	1	56	0.0	-13.76	441.36	5.68	-8.08
CCCC(NC(=O)C1=CC(C=O)=C(C)C=C1C)C1=NNN=N1	REAL000000004292	1	41	0.0	-12.51	334.51	4.62	-7.89
CCCC(NC(=O)C1=C(Br)C(C)=CS1)C1=NNN=N1	REAL000000004293	1	33	0.0	-7.76	299.77	3.55	-4.20
CCCC(NC(=O)C1=NC(Br)=CC=C1F)C1=NNN=N1	REAL000000004294	1	32	0.0	-11.11	300.97	2.51	-8.60
CCCC(NC(=O)C1=NC=CC=C1Br)C1=NNN=N1	REAL000000004295	1	32	0.0	-8.95	284.06	2.23	-6.73
CCCC(NC(=O)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)C1=NNN=N1	REAL000000004296	1	41	0.0	-14.68	363.01	3.26	-11.41
CCCC(NC(=O)C1CC(C(=O)OC(C)(C)C)=NO1)C1=NNN=N1	REAL000000004297	1	46	0.0	-11.94	370.44	3.58	-8.36
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=C1C)C1=NNN=N1	REAL000000004298	1	53	0.0	-11.74	415.81	4.59	-7.14
CCCC(NC(=O)CC1=CC=CC(C(F)F)=C1)C1=NNN=N1	REAL000000004299	1	39	0.0	-13.39	336.52	5.24	-8.14
CCCC(NC(=O)C1CC(C2=CC=CN=C2)=NO1)C1=NNN=N1	REAL000000004300	1	40	0.0	-19.94	340.65	3.24	-16.70
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NN=N[N-]1	REAL000000004301	0	48	0.0	-73.21	377.51	6.71	-66.50
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=N[N-]N=N1	REAL000000004301	1	48	0.0	-73.21	377.45	6.71	-66.50
CCCC(NC(=O)C1=CC(Br)=NN1)C1=NNN=N1	REAL000000004302	1	30	0.0	-10.52	281.27	0.61	-9.91
CCCC(NC(=O)C1=CC(C)=C(Cl)C=C1C)C1=NNN=N1	REAL000000004304	1	39	0.0	-6.15	322.03	5.12	-1.04
CCCC(NC(=O)C1CCC(NC(=O)C2CC2)CC1)C1=NNN=N1	REAL000000004305	1	50	0.0	-18.72	394.27	3.84	-14.87
CCCC(NC(=O)CCN(C)C(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000004306	1	50	0.0	-12.23	408.49	5.31	-6.93
CCCC(NC(=O)CC(CC#N)C1=CC=CC=C1)C1=NNN=N1	REAL000000004307	1	43	0.0	-14.23	356.78	5.88	-8.35
CCCC(NC(=O)C1COC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000004308	1	38	0.0	-10.15	325.67	3.53	-6.62
CCCC(NC(=O)CCC(=O)C1=CN(C)N=C1)C1=NNN=N1	REAL000000004309	1	41	0.0	-13.84	348.99	2.83	-11.00
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=NNN=N1	REAL000000004310	1	47	0.0	-16.25	391.49	1.96	-14.29
CCCC(NC(=O)C1CCN(CC(F)(F)F)C1)C1=NNN=N1	REAL000000004311	1	41	0.0	-8.90	328.33	1.03	-7.87
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)C=C1)C1=NN=N[N-]1	REAL000000004312	0	50	0.0	-70.84	388.89	6.91	-63.93
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)C=C1)C1=N[N-]N=N1	REAL000000004312	1	50	0.0	-70.85	388.83	6.90	-63.94
CCCC(NC(=O)C1CC2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000004313	1	38	0.0	-13.82	338.29	5.15	-8.67
CCCC(NC(=O)CCC1=CN=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004314	1	44	0.0	-13.31	364.93	5.47	-7.84
CCCC(NC(=O)C1=CC=C(NC(C)=O)C(F)=C1)C1=NNN=N1	REAL000000004315	1	40	0.0	-14.26	339.60	2.69	-11.58
CCCC(NC(=O)C(=O)C=CC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004316	1	39	0.0	-9.48	340.67	4.86	-4.62
CCCC(NC(=O)C(C#N)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000004317	1	43	0.0	-14.53	363.37	6.08	-8.46
CCCC(NC(=O)C(C)C(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004318	1	52	0.0	-11.38	391.08	2.17	-9.22
CCCC(NC(=O)CCC(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004319	1	52	0.0	-12.33	410.11	3.01	-9.32
CCCC(NC(=O)CC1(C(=O)OCC)CCC1)C1=NNN=N1	REAL000000004320	1	45	0.0	-17.17	363.29	4.84	-12.33
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1)C1=NNN=N1	REAL000000004321	1	43	0.0	-12.04	376.11	6.43	-5.62
CCCC(NC(=O)C(=CC1=CC=CC=C1)OC)C1=NNN=N1	REAL000000004322	1	41	0.0	-7.38	329.91	4.57	-2.81
CCCC(NC(=O)CNC1=CC=CC=C1C(N)=O)C1=NNN=N1	REAL000000004323	1	42	0.0	-15.31	337.24	-0.53	-15.84
CCCC(NC(=O)C1=C(C)SC(Br)=N1)C1=NNN=N1	REAL000000004324	1	32	0.0	-8.26	303.74	2.04	-6.22
CCCC(NC(=O)C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1)C1=NNN=N1	REAL000000004325	1	41	0.0	-13.93	369.62	3.38	-10.55
CCCC(NC(=O)C1=C(C2CC2)SC(Br)=N1)C1=NNN=N1	REAL000000004326	1	36	0.0	-8.59	333.87	3.54	-5.06
CCCC(NC(=O)CC1=CN=CN1CC1=CC=CC=C1)C1=NNN=N1	REAL000000004327	1	46	0.0	-16.63	380.59	7.23	-9.40
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C1=NNN=N1	REAL000000004328	1	39	0.0	-14.58	333.21	4.89	-9.69
CCCC(NC(=O)CN(C)C(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000004329	1	47	0.0	-15.56	394.63	5.31	-10.24
CCCC(NC(=O)C1=CC(OC)=C(C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004330	1	42	0.0	-10.34	349.84	4.24	-6.10
CCCC(NC(=O)CCCCCN1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004331	1	52	0.0	-15.30	425.90	5.95	-9.35
CCCC(NC(=O)CC1=CC=CC(C)=C1Cl)C1=NNN=N1	REAL000000004332	1	39	0.0	-10.86	335.32	5.35	-5.51
CCCCS(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000004333	1	48	0.0	-14.39	395.64	3.35	-11.04
CCCC(NC(=O)C1=CC=C(OCC(F)(F)F)C=N1)C1=NNN=N1	REAL000000004334	1	39	0.0	-9.86	338.71	2.27	-7.60
CCCC(NC(=O)C1=CC=C(C(C)(C)C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004336	1	45	0.0	-12.46	367.06	6.20	-6.27
CCCC(NC(=O)CCCCCC(=O)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000004337	1	54	0.0	-16.20	430.58	6.32	-9.88
CCCC(NC(=O)C1CCC2=C(C1)N=NN2CC)C1=NNN=N1	REAL000000004338	1	45	0.0	-16.41	360.10	3.26	-13.14
CCCC(NC(=O)C1=C(C)N=C(Br)S1)C1=NNN=N1	REAL000000004339	1	32	0.0	-8.76	303.61	2.01	-6.75
CCCC(NC(=O)C1CCCS(=O)(=O)C1)C1=NNN=N1	REAL000000004340	1	39	0.0	-19.92	322.01	0.03	-19.89
CCCC(NC(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=NNN=N1	REAL000000004341	1	45	0.0	-12.50	360.73	5.83	-6.67
CCCC(NC(=O)C1=CC=C2OC(=O)NC2=C1)C1=NNN=N1	REAL000000004342	1	36	0.0	-15.36	309.49	1.16	-14.20
CCCC(NC(=O)C1=C(C)N(CC2=CC=NC=C2)N=N1)C1=NNN=N1	REAL000000004343	1	44	0.0	-14.53	367.70	2.45	-12.08
CCCC(NC(=O)C1=CC(Cl)=C(C)C=C1Br)C1=NNN=N1	REAL000000004344	1	36	0.0	-9.27	329.41	5.39	-3.88
CCCC(NC(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=NNN=N1	REAL000000004345	1	38	0.0	-10.83	334.04	3.97	-6.86
CCCC(NC(=O)C(COC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004346	1	50	0.0	-11.66	399.45	0.48	-11.18
CCCC(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1C)C1=NNN=N1	REAL000000004347	1	48	0.0	-12.28	399.53	4.65	-7.63
CCCC(NC(=O)C(C)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004348	1	49	0.0	-15.52	386.35	1.90	-13.63
CCCC(NC(=O)C1=C2C(Br)=CC=CC2=CC=C1)C1=NNN=N1	REAL000000004349	1	39	0.0	-12.06	329.98	6.14	-5.92
CCCC(NC(=O)C(C)OC1=CC=C(C=O)C=C1)C1=NNN=N1	REAL000000004350	1	42	0.0	-15.71	343.81	4.16	-11.54
CCCC(NC(=O)C1=CN=C(Cl)C(Br)=C1)C1=NNN=N1	REAL000000004351	1	32	0.0	-7.04	301.81	2.53	-4.51
CCCC(NC(=O)C1=COC2=CC=C(C(C)C)C=C12)C1=NNN=N1	REAL000000004353	1	45	0.0	-10.90	359.40	5.59	-5.31
CCCC(NC(=O)C1=CC=C(C2=C3N=CC=CC3=CC=C2)C=C1)C1=NNN=N1	REAL000000004354	1	48	0.0	-11.69	390.41	7.62	-4.07
CCCC(NC(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=NNN=N1	REAL000000004355	1	43	0.0	-17.31	361.30	3.83	-13.48
CCCC(NC(=O)C1=CC=C(C(F)(F)F)S1)C1=NNN=N1	REAL000000004356	1	33	0.0	-8.75	310.27	3.83	-4.92
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL000000004357	0	51	0.0	-60.81	403.97	7.46	-53.35
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL000000004357	1	51	0.0	-53.17	398.06	7.72	-45.46
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL000000004357	1	51	0.0	-60.80	403.92	7.46	-53.34
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL000000004357	1	51	0.0	-53.16	398.00	7.71	-45.45
CCCC(NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000004358	1	47	0.0	-22.22	389.77	5.67	-16.55
CCCC(NC(=O)COC1=CC=C(CO)C=C1)C1=NNN=N1	REAL000000004359	1	41	0.0	-16.24	344.08	1.55	-14.69
CCCC(NC(=O)CCCCCS(N)(=O)=O)C1=NNN=N1	REAL000000004360	1	43	0.0	-22.25	363.71	-1.31	-23.55
CCCC(NC(=O)C1CSC(C2=CC=CC=C2O)=N1)C1=NNN=N1	REAL000000004361	1	42	0.0	-13.12	355.63	0.91	-12.21
CCCC(NC(=O)CN(C)S(=O)(=O)N(C)C)C1=NNN=N1	REAL000000004362	1	42	0.0	-12.92	350.81	-0.76	-13.68
CCCC(NC(=O)CCCCCCS(N)(=O)=O)C1=NNN=N1	REAL000000004363	1	46	0.0	-20.41	385.06	-0.52	-20.93
CCCC(NC(=O)C(CCC)S(N)(=O)=O)C1=NNN=N1	REAL000000004364	1	40	0.0	-13.61	332.14	-2.02	-15.63
CCCC(NC(=O)C(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=NNN=N1	REAL000000004365	1	41	0.0	-15.29	351.76	-2.49	-17.79
CCCC(NC(=O)C1=CC=C2N=CN(C)C2=N1)C1=NNN=N1	REAL000000004366	1	38	0.0	-12.11	316.05	3.89	-8.21
CCCC(NC(=O)C1=CN2C=CC(Br)=CC2=N1)C1=NNN=N1	REAL000000004368	1	36	0.0	-11.62	329.50	4.73	-6.89
CCCC(NC(=O)C1CCN(S(=O)(=O)NC)CC1)C1=NNN=N1	REAL000000004369	1	46	0.0	-16.06	371.09	-1.18	-17.24
CCCC(NC(=O)C1=C(Cl)N=C2C(C)=CC=CC2=C1)C1=NNN=N1	REAL000000004370	1	41	0.0	-11.78	344.53	4.99	-6.79
CCCC(NC(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=NNN=N1	REAL000000004371	1	37	0.0	-17.13	332.87	-1.63	-18.76
CCCC(NC(=O)C1CCCN(CC(F)F)C1)C1=NNN=N1	REAL000000004372	1	44	0.0	-13.14	341.38	1.93	-11.21
CCCC(NC(=O)C1=CC(Br)=CC2=C1NC(=O)N2)C1=NNN=N1	REAL000000004373	1	37	0.0	-10.84	325.33	0.94	-9.90
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)C1)C1=NNN=N1	REAL000000004374	1	46	0.0	-12.03	383.19	4.50	-7.53
CCCC(NC(=O)C1=CC=C(N)C(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000004375	1	39	0.0	-13.97	337.52	1.44	-12.53
CCCC(NC(=O)CC1COCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004376	1	54	0.0	-9.94	409.58	2.66	-7.27
CCCC(NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)CC1)C1=NNN=N1	REAL000000004377	1	49	0.0	-12.42	396.04	5.21	-7.21
CCCC(NC(=O)C1=CC=C2N=CC=C(C)C2=C1)C1=NNN=N1	REAL000000004378	1	41	0.0	-9.89	329.57	4.26	-5.63
CCCC(NC(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=NNN=N1	REAL000000004379	1	42	0.0	-12.98	335.54	4.30	-8.69
CCCC(NC(=O)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1=NNN=N1	REAL000000004380	1	43	0.0	-12.60	377.41	5.79	-6.81
CCCC(NC(=O)C=CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000004381	1	37	0.0	-11.90	324.96	4.98	-6.92
CCCC(NC(=O)CCOC1=CC=CC=C1CC)C1=NNN=N1	REAL000000004382	1	46	0.0	-10.97	373.92	5.48	-5.49
CCCC(NC(=O)C(O)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004383	1	40	0.0	-11.00	348.66	3.38	-7.62
CCCC(NC(=O)C1=CC=C(OC)C(OC)=C1C)C1=NNN=N1	REAL000000004384	1	44	0.0	-13.27	354.87	3.75	-9.52
CCCC(NC(=O)C1=CC(F)=C(C(F)(F)F)C=C1F)C1=NNN=N1	REAL000000004385	1	36	0.0	-11.07	326.51	4.79	-6.28
CCCC(NC(=O)C1=CN(CCOC)C(C)=CC1=O)C1=NNN=N1	REAL000000004386	1	46	0.0	-19.42	365.06	3.15	-16.27
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=NNN=N1	REAL000000004388	1	36	0.0	-8.28	320.95	1.67	-6.61
CCCC(NC(=O)COCC1=NN=C(C)S1)C1=NNN=N1	REAL000000004389	1	38	0.0	-16.86	330.84	1.06	-15.80
CCCC(NC(=O)C1=COC2=CC=C(CC)C=C12)C1=NNN=N1	REAL000000004390	1	42	0.0	-15.02	349.31	5.42	-9.59
CCCC(NC(=O)C1=CC(F)=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000004391	1	33	0.0	-6.32	312.32	4.45	-1.87
CCCC(NC(=O)C1=CC=C(C(C)=O)C(O)=C1)C1=NNN=N1	REAL000000004392	1	39	0.0	-18.75	329.26	2.74	-16.01
CCCC(NC(=O)C1=C(CC(=O)OCC)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000004393	1	49	0.0	-11.84	399.31	5.62	-6.22
CCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004394	0	54	0.0	-64.22	418.20	8.11	-56.10
CCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004394	1	54	0.0	-51.02	411.95	8.30	-42.72
CCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004394	1	54	0.0	-64.20	418.15	8.11	-56.09
CCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004394	1	54	0.0	-51.01	411.89	8.30	-42.71
CCCC(NC(=O)C1=COC(SC2=NC=CC=N2)=N1)C1=NNN=N1	REAL000000004395	1	38	0.0	-13.90	345.99	0.32	-13.58
CCCC(NC(=O)C1=C(CC(=O)OC)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000004396	1	46	0.0	-15.31	384.65	5.03	-10.28
CCCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C1=NN=N[N-]1	REAL000000004397	0	59	0.0	-65.18	425.44	4.77	-60.41
CCCC(NC(=O)C(C)CN1C=CC2=CC=CC=C21)C1=NNN=N1	REAL000000004398	1	46	0.0	-8.54	359.92	6.25	-2.29
CCCC(NC(=O)C(CO)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000004400	1	40	0.0	-11.62	345.77	2.08	-9.54
CCCC(NC(=O)COC1=CC=C(Br)C=C1C(C)=O)C1=NNN=N1	REAL000000004401	1	42	0.0	-16.97	363.67	5.83	-11.15
CCCC(NC(=O)C1=C(C)NC(=O)C(Br)=C1)C1=NNN=N1	REAL000000004402	1	36	0.0	-12.84	318.92	1.86	-10.98
CCCC(NC(=O)C1=NC=C(CC2=CC=CC=C2)O1)C1=NNN=N1	REAL000000004403	1	42	0.0	-12.86	360.16	3.32	-9.54
CCCC(NC(=O)C1=CC(C#N)=CC=C1Cl)C1=NNN=N1	REAL000000004404	1	34	0.0	-12.41	311.04	4.57	-7.84
CCCC(NC(=O)C(C)C1=CC=CC(CC(C)C)=C1)C1=NNN=N1	REAL000000004405	1	51	0.0	-7.51	392.22	7.23	-0.28
CCCC(NC(=O)C1CCCC2CCCCC21)C1=NNN=N1	REAL000000004406	1	49	0.0	-5.36	342.44	5.56	0.20
CCCC(NC(=O)C1CCS(=O)(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000004407	1	43	0.0	-17.88	346.35	1.86	-16.02
CCCC(NC(=O)C1=CC(C(F)(F)F)=NN1)C1=NNN=N1	REAL000000004408	1	33	0.0	-11.07	300.74	1.08	-9.98
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)C=C1)C1=NNN=N1	REAL000000004409	1	42	0.0	-14.36	362.00	5.09	-9.27
CCCC(NC(=O)C1=CC(Br)=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000004410	1	41	0.0	-10.66	360.68	3.66	-7.00
CCCC(NC(=O)CCN(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004411	1	49	0.0	-10.98	381.60	3.36	-7.62
CCCC(NC(=O)C1=C(C)N(CC2=NOC(C)=C2)N=N1)C1=NNN=N1	REAL000000004412	1	44	0.0	-14.81	374.01	2.53	-12.28
CCCC(NC(=O)C1=CSC=C1Br)C1=NNN=N1	REAL000000004413	1	30	0.0	-11.88	286.72	3.20	-8.68
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1OC)C1=NNN=N1	REAL000000004414	1	40	0.0	-9.06	337.29	4.97	-4.09
CCCC(NC(=O)CCC1=CC=CC(OC)=C1F)C1=NNN=N1	REAL000000004415	1	43	0.0	-14.82	358.52	4.49	-10.32
CCCC(NC(=O)C1CC12CCC(C(C)(C)CC)CC2)C1=NNN=N1	REAL000000004416	1	58	0.0	-5.73	407.35	7.46	1.73
CCCC(NC(=O)CC(C1=NC=CN1C)C(F)(F)F)C1=NNN=N1	REAL000000004417	1	42	0.0	-12.80	355.32	3.87	-8.93
CCCC(NC(=O)CC(C1=NC=CN1)C1=CC=CC=C1)C1=NNN=N1	REAL000000004418	1	46	0.0	-16.25	371.50	5.53	-10.72
CCCC(NC(=O)C1=NC(S(C)(=O)=O)=NC=C1C)C1=NNN=N1	REAL000000004419	1	40	0.0	-16.65	349.10	-0.95	-17.60
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1F)C1=NNN=N1	REAL000000004420	1	35	0.0	-12.54	310.47	4.40	-8.14
CCCC(NC(=O)C1=C(Cl)C(Cl)=NS1)C1=NNN=N1	REAL000000004421	1	29	0.0	-10.27	295.54	2.20	-8.07
CCCC(NC(=O)CC1=CC=C2N=CSC2=C1)C1=NNN=N1	REAL000000004422	1	38	0.0	-12.54	326.31	3.38	-9.16
CCCC(NC(=O)CCCS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000004423	1	45	0.0	-20.95	401.24	3.44	-17.50
CCCC(NC(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=NNN=N1	REAL000000004424	1	42	0.0	-15.69	351.77	6.36	-9.33
CCCC(NC(=O)CCC1=C(C)N2N=C3N=CC=CC3=C2N=C1C)C1=NNN=N1	REAL000000004425	1	52	0.0	-20.29	414.46	6.18	-14.12
CCCC(NC(=O)C1=CC=NC(NC)=C1[N+](=O)[O-])C1=NNN=N1	REAL000000004426	1	39	0.0	-15.52	329.01	3.13	-12.40
CCCC(NC(=O)[C@H](C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000004427	1	50	0.0	-15.15	402.05	8.29	-6.86
CCCC(NC(=O)C1=CC(N(C)C)=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000004428	1	46	0.0	-8.49	368.12	3.61	-4.88
CCCC(NC(=O)C1=CN(C2CC2)C(C)=CC1=O)C1=NNN=N1	REAL000000004429	1	43	0.0	-16.93	347.35	4.99	-11.93
CCCC(NC(=O)C1=C(CC(=O)OC)OC=C1)C1=NNN=N1	REAL000000004430	1	39	0.0	-14.35	334.95	3.22	-11.13
CCCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL000000004431	0	43	0.0	-68.52	348.42	4.08	-64.45
CCCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL000000004431	1	43	0.0	-68.52	348.48	4.08	-64.44
CCCC(NC(=O)C1=CN=C(C2CCCC2)N=C1N)C1=NNN=N1	REAL000000004432	1	46	0.0	-7.32	357.06	2.96	-4.37
CCCC(NC(=O)CCC[C@H](O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004433	1	46	0.0	-14.08	380.26	3.66	-10.42
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(Br)=C1C)C1=NNN=N1	REAL000000004434	1	38	0.0	-8.79	339.84	5.53	-3.26
CCCC(NC(=O)C1=CC(C)=C(Br)C(Cl)=C1)C1=NNN=N1	REAL000000004435	1	36	0.0	-8.75	331.98	5.31	-3.44
CCCC(NC(=O)C(CC)CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004436	1	48	0.0	-7.42	385.83	7.02	-0.40
CCCC(NC(=O)C1=C2N=CC=C(C)C2=CC(C)=C1)C1=NNN=N1	REAL000000004438	1	44	0.0	-17.57	356.09	5.69	-11.88
CCCC(NC(=O)C1CCC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000004439	1	42	0.0	-14.45	339.81	5.17	-9.28
CCCC(NC(=O)C1=CC(Cl)=CC(F)=C1Br)C1=NNN=N1	REAL000000004440	1	33	0.0	-6.81	309.22	4.52	-2.29
CCCC(NC(=O)CCCC1=NC(C)=CS1)C1=NNN=N1	REAL000000004441	1	41	0.0	-11.10	344.65	3.31	-7.79
CCCC(NC(=O)CSC1=NC=CN1CC1=CC=CC=C1)C1=NNN=N1	REAL000000004442	1	47	0.0	-10.89	397.25	6.91	-3.99
CCCC(NC(=O)CN1C=C(C=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000004443	1	42	0.0	-20.85	350.34	5.20	-15.66
CCCC(NC(=O)C12C3C(=O)C4C1C1CC4C3C12)C1=NNN=N1	REAL000000004444	1	42	0.0	-9.15	325.35	4.43	-4.72
CCCC(NC(=O)C1CCN(CC(F)(F)F)CC1)C1=NNN=N1	REAL000000004445	1	44	0.0	-13.38	355.47	2.69	-10.69
CCCC(NC(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=NNN=N1	REAL000000004446	1	42	0.0	-21.17	350.44	2.23	-18.94
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=NN1)C1=NNN=N1	REAL000000004447	1	43	0.0	-11.69	362.83	4.47	-7.23
CCCC(NC(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000004448	1	39	0.0	-16.50	335.54	0.89	-15.60
CCCC(NC(=O)C(CC)N1CCOC(CC)C1)C1=NNN=N1	REAL000000004449	1	51	0.0	-7.27	373.77	1.72	-5.55
CCCC(NC(=O)CN(CC)CC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004450	1	47	0.0	-11.50	383.17	4.56	-6.94
CCCC(NC(=O)CC1=CSC(N2CCOCC2)=N1)C1=NNN=N1	REAL000000004451	1	45	0.0	-14.14	375.21	1.16	-12.98
CCCCCCCCC(O)CCC(=O)NC(CCC)C1=NNN=N1	REAL000000004452	1	57	0.0	-9.70	445.41	5.14	-4.56
CCCC(NC(=O)C1=CC2=C(Br)C(F)=CC=C2N1)C1=NNN=N1	REAL000000004453	1	37	0.0	-14.09	338.26	4.24	-9.85
CCCC(NC(=O)C1CC2CCC1N(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000004454	1	57	0.0	-18.17	425.86	6.25	-11.92
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000004455	1	49	0.0	-12.32	396.75	2.20	-10.12
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1)C1=NNN=N1	REAL000000004456	1	43	0.0	-7.28	373.21	4.90	-2.38
CCCC(NC(=O)CC1(C)CC1(Cl)Cl)C1=NNN=N1	REAL000000004457	1	36	0.0	-8.43	315.17	4.01	-4.42
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2OC)C=N1)C1=NNN=N1	REAL000000004458	1	47	0.0	-10.15	387.08	4.39	-5.77
CCCC(NC(=O)C1=CC2=CC=NC=C2S1)C1=NNN=N1	REAL000000004459	1	35	0.0	-10.52	311.60	3.28	-7.24
CCCC(NC(=O)C1=CC=CC(C2=CN=CO2)=C1)C1=NNN=N1	REAL000000004460	1	39	0.0	-13.15	325.09	1.72	-11.43
CCCC(NC(=O)C1=CC=C(C2OCCO2)C=C1)C1=NNN=N1	REAL000000004461	1	42	0.0	-12.00	345.01	3.30	-8.70
CCCC(NC(=O)C1=C(C)N(CC2=NN=C(C)O2)N=N1)C1=NNN=N1	REAL000000004463	1	43	0.0	-17.05	361.11	-3.03	-20.08
CCCC(NC(=O)C1=CC(F)=C(N2CCOCC2)C(F)=C1)C1=NNN=N1	REAL000000004465	1	46	0.0	-10.77	373.77	2.78	-7.99
CCCC(NC(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=N1)C1=NNN=N1	REAL000000004466	1	47	0.0	-10.60	393.16	4.03	-6.56
CCCC(NC(=O)C(F)=CC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004467	1	40	0.0	-7.01	346.61	5.54	-1.46
CCCC(NC(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=NNN=N1	REAL000000004468	1	42	0.0	-14.72	351.26	2.88	-11.84
CCCC(NC(=O)C1=CC(C)=C(C(N)=O)C=N1)C1=NNN=N1	REAL000000004469	1	39	0.0	-13.46	325.91	-0.60	-14.06
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2S1)C1=NNN=N1	REAL000000004470	1	36	0.0	-9.05	338.12	5.67	-3.37
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(OC)=C2)C=N1)C1=NNN=N1	REAL000000004471	1	47	0.0	-8.82	387.65	3.84	-4.98
CCCC(NC(=O)C1=CC=CC2=C1OC(C)C2)C1=NNN=N1	REAL000000004472	1	41	0.0	-15.73	333.75	5.20	-10.53
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000004473	1	49	0.0	-19.45	402.09	7.73	-11.71
CCCC(NC(=O)C1=CC2=CC=CN=C2S1)C1=NNN=N1	REAL000000004474	1	35	0.0	-12.10	311.61	3.17	-8.92
CCCC(NC(=O)COC1=CC=C(C#N)C(Br)=C1)C1=NNN=N1	REAL000000004475	1	38	0.0	-15.69	351.76	5.13	-10.56
CCCC(NC(=O)CC1=CC(Br)=CC=C1C)C1=NNN=N1	REAL000000004476	1	39	0.0	-11.09	340.42	5.43	-5.67
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)C1=NNN=N1	REAL000000004477	1	42	0.0	-17.94	360.33	6.93	-11.01
CCCC(NC(=O)CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)C1=NNN=N1	REAL000000004478	1	43	0.0	-19.10	385.54	5.37	-13.73
CCCC(NC(=O)C1=C(C)N(C2=CN(C)N=C2)N=N1)C1=NNN=N1	REAL000000004479	1	42	0.0	-11.59	347.83	1.27	-10.31
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004480	1	40	0.0	-9.59	337.37	5.78	-3.81
CCCC(NC(=O)CC1=CC=C(C)C=C1Br)C1=NNN=N1	REAL000000004481	1	39	0.0	-11.61	341.98	5.51	-6.09
CCCC(NC(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=NNN=N1	REAL000000004482	1	42	0.0	-20.50	353.37	3.41	-17.08
CCCC(NC(=O)C1=CC=C(C(C)(F)F)C=C1)C1=NNN=N1	REAL000000004483	1	39	0.0	-11.39	330.90	5.19	-6.20
CCCC(NC(=O)CC1COC2=CC=CC=C2O1)C1=NNN=N1	REAL000000004484	1	42	0.0	-16.04	345.56	4.25	-11.78
CCCC(NC(=O)C1=CC=NC(OC(F)F)=C1)C1=NNN=N1	REAL000000004485	1	36	0.0	-11.91	309.01	0.75	-11.16
CCCC(NC(=O)CC1=CC=C(OC)C(OC)=C1Cl)C1=NNN=N1	REAL000000004486	1	44	0.0	-13.96	378.56	4.11	-9.85
CCCC(NC(=O)C1=CN2N=CC=C2N=C1C)C1=NNN=N1	REAL000000004487	1	38	0.0	-12.36	316.49	3.21	-9.15
CCCC(NC(=O)C1CC1C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004488	1	40	0.0	-9.59	337.33	5.77	-3.81
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CC2)C1=NNN=N1	REAL000000004489	1	54	0.0	-14.85	422.38	5.05	-9.80
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1Br)C1=NNN=N1	REAL000000004490	1	36	0.0	-9.57	327.30	4.80	-4.77
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CC2)C=C1)C1=NNN=N1	REAL000000004491	1	43	0.0	-16.20	369.29	2.95	-13.25
CCCC(NC(=O)COC1=C(Cl)C=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000004492	1	37	0.0	-11.47	364.00	5.94	-5.53
CCCC(NC(=O)C1=C(Br)SC=C1)C1=NNN=N1	REAL000000004493	1	30	0.0	-11.19	286.70	3.28	-7.91
CCCC(NC(=O)C1=CC=C2OC(F)(F)OC2=C1C)C1=NNN=N1	REAL000000004494	1	39	0.0	-8.63	325.92	3.12	-5.51
CCCC(NC(=O)CC1=CC=C(Cl)C(OC)=C1)C1=NNN=N1	REAL000000004495	1	40	0.0	-13.98	347.89	4.19	-9.79
CCCC(NC(=O)C(O)C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000004496	1	37	0.0	-9.75	334.71	2.95	-6.80
CCCC(NC(=O)C1=CC(C(F)(F)F)=NN1C)C1=NNN=N1	REAL000000004497	1	36	0.0	-10.38	319.49	2.38	-8.00
CCCC(NC(=O)CC1=CC(F)=C(C)C=C1F)C1=NNN=N1	REAL000000004498	1	39	0.0	-12.45	334.49	5.09	-7.37
CCCC(NC(=O)C1CCCC2=C1N=C(NC1=CC=CC=C1)S2)C1=NNN=N1	REAL000000004499	1	51	0.0	-8.93	408.66	6.74	-2.19
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N1)C1=NNN=N1	REAL000000004500	1	34	0.0	-9.50	305.95	2.39	-7.12
CCCC(NC(=O)C1=CC=C(NC(=O)C(C)(C)C)N=C1)C1=NNN=N1	REAL000000004501	1	48	0.0	-16.77	388.93	4.28	-12.50
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1C)C1=NNN=N1	REAL000000004502	1	39	0.0	-8.55	333.27	5.53	-3.02
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1Cl)C1=NNN=N1	REAL000000004503	1	36	0.0	-13.19	324.12	5.24	-7.95
CCCC(NC(=O)C1=CSC(I)=N1)C1=NNN=N1	REAL000000004504	1	29	0.0	-8.55	293.25	1.67	-6.88
CCCC(NC(=O)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)C1=NNN=N1	REAL000000004505	1	41	0.0	-9.79	369.43	4.28	-5.51
CCCC(NC(=O)C(CC(C)(C)C)N(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004506	1	61	0.0	-8.84	438.15	6.54	-2.30
CCCC(NC(=O)CNC(=O)NC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000004507	1	42	0.0	-12.06	360.75	1.61	-10.44
CCCC(NC(=O)C1=C(CC)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000004508	1	42	0.0	-10.09	348.21	5.50	-4.59
CCCC(NC(=O)C1CC(=O)N(C2=CN(CCOC)N=C2)C1)C1=NNN=N1	REAL000000004509	1	51	0.0	-13.77	411.29	2.04	-11.73
CCCC(NC(=O)C(C)OCCC1=CC=CC=C1)C1=NNN=N1	REAL000000004510	1	46	0.0	-13.06	378.11	6.18	-6.88
C=CCOC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000004511	1	44	0.0	-12.99	366.62	5.14	-7.85
CCCC(NC(=O)C1=CC(Cl)=NC(OC(F)F)=C1)C1=NNN=N1	REAL000000004512	1	36	0.0	-13.16	333.08	1.49	-11.67
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(C#N)C(Cl)=C2)C1)C1=NNN=N1	REAL000000004513	1	45	0.0	-18.20	392.67	5.43	-12.78
CCCC(NC(=O)C1=CC=C(OC)C(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000004514	1	43	0.0	-22.63	364.90	1.05	-21.58
CCCC(NC(=O)C(CC1=CC=CC=C1)OC)C1=NNN=N1	REAL000000004515	1	43	0.0	-12.65	347.71	4.90	-7.75
CCCC(NC(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=NNN=N1	REAL000000004516	1	36	0.0	-13.13	317.29	2.77	-10.36
CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C(OC)=C1	REAL000000004517	1	47	0.0	-14.03	377.78	5.29	-8.74
CCCC(NC(=O)C1=CC=C(C(=O)NCC2=CC=CC(C)=C2)C=C1)C1=NNN=N1	REAL000000004518	1	53	0.0	-16.07	436.95	6.45	-9.62
CCCC(NC(=O)C1=CC(C(=O)OCC)=C(C)N1)C1=NNN=N1	REAL000000004519	1	43	0.0	-11.09	354.06	3.22	-7.87
CCCC(NC(=O)C[C@@H](CNC(C)=O)CC(C)C)C1=NNN=N1	REAL000000004520	1	51	0.0	-13.57	387.37	3.74	-9.83
CCCC(NC(=O)C1CCC1C1=CC=C(Cl)C=C1F)C1=NNN=N1	REAL000000004521	1	43	0.0	-8.75	362.82	6.50	-2.24
CCCC(NC(=O)C1=C(C)N=C(COCC)S1)C1=NNN=N1	REAL000000004522	1	42	0.0	-8.69	352.19	1.83	-6.86
CCCC(NC(=O)C1=COC2=C1C(=O)CCC2)C1=NNN=N1	REAL000000004523	1	39	0.0	-22.56	323.04	4.81	-17.75
CCCC(NC(=O)CC1=NC(C2=CC=CC=C2)=CS1)C1=NNN=N1	REAL000000004524	1	42	0.0	-14.68	365.46	5.08	-9.60
CC=CCOC1=CC=CC(CC(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000004525	1	47	0.0	-12.89	388.33	6.01	-6.88
CCCC(NC(=O)C1=C(Cl)N=C(N(C)C)S1)C1=NNN=N1	REAL000000004526	1	37	0.0	-10.66	327.97	2.67	-7.99
CCCC(NC(=O)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1)C1=NNN=N1	REAL000000004527	1	47	0.0	-12.01	403.60	5.96	-6.05
CCCC(NC(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000004528	1	46	0.0	-12.71	386.07	6.08	-6.63
CCCC(NC(=O)C1CCN(C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000004529	1	45	0.0	-11.72	353.87	3.86	-7.85
CCCC(NC(=O)C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)C1=NNN=N1	REAL000000004530	1	42	0.0	-14.57	367.36	4.35	-10.22
CCCC(NC(=O)C1=CC=C(N2N=NN=C2C)C=C1F)C1=NNN=N1	REAL000000004531	1	41	0.0	-17.39	349.57	3.77	-13.63
CCCC(NC(=O)CC1=C(C2=CC=CC=C2)N=CS1)C1=NNN=N1	REAL000000004532	1	42	0.0	-13.96	358.33	4.73	-9.23
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=NNN=N1	REAL000000004533	1	49	0.0	-20.79	416.10	4.33	-16.46
CCCC(NC(=O)C1=CC=NN1CC(F)(F)F)C1=NNN=N1	REAL000000004534	1	36	0.0	-12.56	317.95	2.69	-9.87
CCCC(NC(=O)C1=CC(Cl)=C(Br)C=C1F)C1=NNN=N1	REAL000000004535	1	33	0.0	-10.40	318.36	4.81	-5.59
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C=C1)C1=NNN=N1	REAL000000004536	1	42	0.0	-12.87	349.97	4.65	-8.22
CCCC(NC(=O)CC1=CC=C(O)C(OC)=C1)C1=NNN=N1	REAL000000004537	1	41	0.0	-15.70	342.62	1.48	-14.22
CCCC(NC(=O)C(C)OCC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000004538	1	43	0.0	-11.52	355.84	5.05	-6.47
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(=O)N1)C1=NNN=N1	REAL000000004540	1	36	0.0	-14.17	319.55	1.67	-12.50
CCCC(NC(=O)CCC1=CC=CC=C1N1CCOCC1)C1=NNN=N1	REAL000000004541	1	52	0.0	-11.12	409.10	4.59	-6.53
CCCC(NC(=O)C1=CN=C(F)C(Br)=C1)C1=NNN=N1	REAL000000004542	1	32	0.0	-10.31	299.75	2.42	-7.89
CCCC(NC(=O)C(C#N)=CC1=CN(C)N=C1)C1=NNN=N1	REAL000000004543	1	38	0.0	-11.53	328.90	2.80	-8.73
CCCC(NC(=O)CCC1=CC=C2C=CC=CC2=C1O)C1=NNN=N1	REAL000000004544	1	46	0.0	-9.68	371.26	4.32	-5.36
CCCC(NC(=O)C1=CC(F)=C(C#N)C(F)=C1)C1=NNN=N1	REAL000000004545	1	34	0.0	-9.57	303.12	3.79	-5.78
CCCC(NC(=O)C1=CN(CC(O)CO)N=C1)C1=NNN=N1	REAL000000004546	1	41	0.0	-17.51	346.52	-3.19	-20.70
CCCC(NC(=O)C1=CC=C(I)C=C1F)C1=NNN=N1	REAL000000004547	1	33	0.0	-12.58	310.05	4.83	-7.75
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1Br)C1=NNN=N1	REAL000000004548	1	33	0.0	-8.73	316.55	4.85	-3.88
CCCC(NC(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=NNN=N1	REAL000000004549	1	43	0.0	-14.55	367.06	3.29	-11.27
CCCC(NC(=O)C(C)N(CCC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004550	1	55	0.0	-11.24	420.08	5.30	-5.94
CCCC(NC(=O)CC1=C(C)N(CC)N=C1C)C1=NNN=N1	REAL000000004551	1	45	0.0	-15.45	366.06	4.00	-11.45
CCCC(NC(=O)C1=CN=C2C(F)=CC=CC2=C1)C1=NNN=N1	REAL000000004552	1	38	0.0	-13.59	325.27	4.12	-9.47
CCCC(NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000004553	1	40	0.0	-11.84	362.81	6.76	-5.08
CCCC(NC(=O)CC1=C(C)N(C(C)C)N=C1C)C1=NNN=N1	REAL000000004554	1	48	0.0	-15.33	385.81	4.68	-10.65
CCCC(NC(=O)C1=NC(SC)=NC=C1Br)C1=NNN=N1	REAL000000004555	1	35	0.0	-7.19	322.27	2.54	-4.65
CCCC(NC(=O)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)C1=NNN=N1	REAL000000004556	1	46	0.0	-11.93	384.17	7.10	-4.82
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1OC)C1=NNN=N1	REAL000000004557	1	40	0.0	-12.87	343.73	5.21	-7.65
CCCC(NC(=O)C1=CC(Br)=C(CC)S1)C1=NNN=N1	REAL000000004558	1	36	0.0	-9.88	332.49	4.78	-5.10
CCCC(NC(=O)C=CC1=CC=C(F)C(C)=C1)C1=NNN=N1	REAL000000004559	1	40	0.0	-11.31	338.96	5.56	-5.75
CCCC(NC(=O)CC1=CSC=C1Br)C1=NNN=N1	REAL000000004560	1	33	0.0	-7.69	304.53	3.49	-4.20
CCCC(NC(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=NNN=N1	REAL000000004561	1	45	0.0	-10.50	374.59	4.27	-6.23
CCCC(NC(=O)C1CCC(OCC2CCCO2)CC1)C1=NNN=N1	REAL000000004562	1	54	0.0	-11.94	414.79	4.27	-7.67
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)CNC2=O)C1=NNN=N1	REAL000000004563	1	42	0.0	-13.99	344.98	-0.66	-14.65
CCCC(NC(=O)C1=CC(Br)=CC(N(C)C)=C1)C1=NNN=N1	REAL000000004564	1	41	0.0	-9.67	350.50	4.68	-4.99
CCCC(NC(=O)C1=CC(C#N)=CC(N(C)C)=C1)C1=NNN=N1	REAL000000004565	1	42	0.0	-11.58	351.03	4.46	-7.12
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)N=N1)C1=NNN=N1	REAL000000004566	1	42	0.0	-14.34	356.15	2.77	-11.57
CCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL000000004567	0	47	0.0	-75.22	375.19	6.40	-68.82
CCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL000000004567	1	47	0.0	-75.21	375.13	6.40	-68.81
CCCC(NC(=O)C(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000004568	1	49	0.0	-7.61	377.17	2.56	-5.05
CCCC(NC(=O)C1=NN(C2=CC=C(Br)C=C2)C=C1)C1=NNN=N1	REAL000000004569	1	40	0.0	-11.76	360.40	5.44	-6.32
CCCC(NC(=O)CCCC(=O)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000004570	1	48	0.0	-23.16	394.95	5.06	-18.10
CCCC(NC(=O)C1=C(N)N(C2=CC=CC=N2)N=C1)C1=NNN=N1	REAL000000004571	1	41	0.0	-14.40	344.37	3.54	-10.86
CCCC(NC(=O)C1=C(C)N=C(C(F)(F)F)S1)C1=NNN=N1	REAL000000004575	1	35	0.0	-8.92	323.21	2.59	-6.33
CCCC(NC(=O)C1=CC(Br)=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000004576	1	39	0.0	-13.00	353.78	4.93	-8.07
CCCC(NC(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=NNN=N1	REAL000000004577	1	40	0.0	-11.77	339.76	4.42	-7.35
CCCC(NC(=O)C1=CC(OC)=C(OC)C=C1Br)C1=NNN=N1	REAL000000004578	1	41	0.0	-9.33	345.41	3.21	-6.12
CCCC(NC(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=NNN=N1	REAL000000004579	1	36	0.0	-13.10	329.62	3.05	-10.05
CCCC(NC(=O)C1=CC=NC(NC(=O)C(C)C)=C1)C1=NNN=N1	REAL000000004580	1	45	0.0	-17.08	370.14	3.71	-13.37
CCCC(NC(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=NNN=N1	REAL000000004581	1	37	0.0	-12.07	323.10	3.32	-8.75
CCCC(NC(=O)C1=CC=NC(N2CCCC(C)C2)=C1)C1=NNN=N1	REAL000000004582	1	50	0.0	-9.31	383.72	4.10	-5.21
CCCC(NC(=O)C1=NN(C)C=C1Br)C1=NNN=N1	REAL000000004583	1	33	0.0	-10.78	295.41	1.74	-9.04
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1Cl)C1=NNN=N1	REAL000000004584	1	35	0.0	-18.98	314.17	4.71	-14.27
CCCC(NC(=O)C=CCN(C)CC(F)(F)F)C1=NNN=N1	REAL000000004585	1	41	0.0	-11.24	347.18	2.17	-9.07
CCCC(NC(=O)C1=CN=C(OC2CCOCC2)C(Cl)=C1)C1=NNN=N1	REAL000000004586	1	47	0.0	-11.91	395.46	2.32	-9.59
CCCC(NC(=O)C(C)C1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000004587	1	42	0.0	-13.39	344.32	3.55	-9.84
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=NNN=N1	REAL000000004588	1	44	0.0	-15.58	360.95	3.16	-12.42
CCCC(NC(=O)C1CC(O)(CCC(C)(C)C)C1)C1=NNN=N1	REAL000000004589	1	52	0.0	-8.92	386.52	2.92	-6.00
CCCC(NC(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=NNN=N1	REAL000000004590	1	39	0.0	-13.09	331.84	1.89	-11.20
CCCC(NC(=O)C(CS(C)(=O)=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000004591	1	45	0.0	-16.98	370.35	2.12	-14.86
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)C1=NNN=N1	REAL000000004592	1	42	0.0	-11.95	370.72	5.53	-6.41
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C=N1)C1=NNN=N1	REAL000000004593	1	41	0.0	-10.30	351.76	3.51	-6.79
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C1=NNN=N1	REAL000000004594	1	38	0.0	-10.58	337.07	5.47	-5.11
CCCC(NC(=O)CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004595	1	43	0.0	-16.97	372.17	5.64	-11.33
CCCC(NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1=NNN=N1	REAL000000004596	1	51	0.0	-14.64	403.79	4.55	-10.10
CCCC(NC(=O)C(C)C1OCCC2=C1C=CS2)C1=NNN=N1	REAL000000004597	1	44	0.0	-9.13	352.42	4.85	-4.27
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=NNN=N1	REAL000000004599	1	33	0.0	-9.10	312.81	4.74	-4.36
CCCC(NC(=O)C1=CC(Cl)=CC(OC)=C1)C1=NNN=N1	REAL000000004600	1	37	0.0	-10.53	323.93	3.48	-7.05
C#CCCOC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000004601	1	42	0.0	-11.97	356.27	5.23	-6.74
CCCC(NC(=O)C1=C(I)N(C)N=C1)C1=NNN=N1	REAL000000004602	1	33	0.0	-10.88	305.70	2.26	-8.62
CCCC(NC(=O)COC1=CC=C(Cl)C(F)=C1)C1=NNN=N1	REAL000000004603	1	37	0.0	-13.30	333.86	4.80	-8.51
CCCC(NC(=O)C1=CN(C2=CC=CC(OC)=C2)N=N1)C1=NNN=N1	REAL000000004604	1	43	0.0	-13.71	364.56	2.66	-11.05
CCCC(NC(=O)C1=C(Cl)SC(Cl)=N1)C1=NNN=N1	REAL000000004605	1	29	0.0	-6.12	288.80	1.51	-4.61
CCCC(NC(=O)CCN1C(=O)CCNC1=S)C1=NNN=N1	REAL000000004606	1	41	0.0	-18.75	342.09	2.21	-16.54
CCCC(NC(=O)C1CCCN(S(N)(=O)=O)C1)C1=NNN=N1	REAL000000004607	1	43	0.0	-15.35	351.19	-2.31	-17.66
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CN=C1C)C1=NNN=N1	REAL000000004608	1	40	0.0	-13.06	336.18	-2.86	-15.92
CCCC(NC(=O)C1=CC=NC(C2=NC=CN2)=C1)C1=NNN=N1	REAL000000004609	1	39	0.0	-18.28	333.53	2.33	-15.96
CCCC(NC(=O)CN1N=NC2=C1CCCC2)C1=NNN=N1	REAL000000004610	1	42	0.0	-19.12	340.36	2.79	-16.32
CCCC(NC(=O)CC1CCCS(=O)(=O)C1)C1=NNN=N1	REAL000000004611	1	42	0.0	-20.14	341.02	0.66	-19.49
CCCC(NC(=O)C1=CN=C(CCOCCOC)N1)C1=NNN=N1	REAL000000004612	1	47	0.0	-11.09	385.04	0.66	-10.43
CCCC(NC(=O)C1=C(CC)N=C2C=CC(Cl)=CN21)C1=NNN=N1	REAL000000004613	1	42	0.0	-9.74	359.63	5.34	-4.40
CCCC(NC(=O)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)C1=NNN=N1	REAL000000004614	1	43	0.0	-10.59	380.11	6.40	-4.19
CCCC(NC(=O)C1=C(C)C2=CC(Br)=CC=C2S1)C1=NNN=N1	REAL000000004615	1	39	0.0	-6.50	345.52	5.96	-0.54
CCCC(NC(=O)C(C)OCC1=CC=NC=C1)C1=NNN=N1	REAL000000004616	1	42	0.0	-16.25	351.50	3.64	-12.60
CCCC(NC(=O)C1=CN=C2C(F)=CC=C(F)C2=C1)C1=NNN=N1	REAL000000004617	1	38	0.0	-12.72	330.86	4.16	-8.56
CCCC(NC(=O)C1=CC(Br)=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004618	1	39	0.0	-10.00	342.14	6.43	-3.57
CCCC(NC(=O)C1CCCN(C2=CC=CC=C2)C1=O)C1=NNN=N1	REAL000000004619	1	47	0.0	-13.89	378.40	5.70	-8.19
CCCC(NC(=O)CCC1=CC=C(C(N)=O)C=C1)C1=NNN=N1	REAL000000004620	1	43	0.0	-14.20	351.11	1.60	-12.60
CCCC(NC(=O)C(C)N(C(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000004621	1	53	0.0	-13.18	400.52	4.71	-8.47
CCCC(NC(=O)C1=C(I)C=NN1C)C1=NNN=N1	REAL000000004622	1	33	0.0	-9.12	311.00	2.37	-6.74
CCCC(NC(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C1=NNN=N1	REAL000000004623	1	40	0.0	-11.66	352.29	6.06	-5.60
CCCC(NC(=O)CCC1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004624	1	56	0.0	-16.92	430.88	5.27	-11.65
CCCC(NC(=O)C1=CN2C(Br)=CN=C2S1)C1=NNN=N1	REAL000000004625	1	33	0.0	-9.91	319.48	3.99	-5.92
CCCC(NC(=O)C1=CC=C(COCCOC)C=C1)C1=NNN=N1	REAL000000004626	1	47	0.0	-10.30	381.07	3.30	-7.00
CCCC(NC(=O)C1CCC2=CC=CC(O)=C21)C1=NNN=N1	REAL000000004627	1	41	0.0	-11.56	326.11	2.98	-8.58
CCCC(NC(=O)C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=NNN=N1	REAL000000004628	1	48	0.0	-11.93	407.28	7.75	-4.18
CCCC(NC(=O)C1=CC=C2C(=O)CCCC2=C1)C1=NNN=N1	REAL000000004629	1	42	0.0	-12.57	342.57	5.25	-7.32
CCCC(NC(=O)C1=CC=CC(F)=C1Br)C1=NNN=N1	REAL000000004630	1	33	0.0	-10.14	292.50	4.01	-6.13
CCCC(NC(=O)C1=C(C)N=C(C2=C(C)ON=C2C)S1)C1=NNN=N1	REAL000000004631	1	44	0.0	-8.81	366.90	3.79	-5.02
CCCC(NC(=O)C1=NOC(CN2C=CC=N2)=C1)C1=NNN=N1	REAL000000004633	1	39	0.0	-14.77	340.75	2.76	-12.02
CCCC(NC(=O)C1=NSC2=CC=C(C)C=C21)C1=NNN=N1	REAL000000004634	1	38	0.0	-10.38	329.78	4.33	-6.05
CCCC(NC(=O)CNS(=O)(=O)C1=CC=CC=C1N)C1=NNN=N1	REAL000000004635	1	43	0.0	-15.89	366.81	-1.65	-17.54
CCCC(NC(=O)C(C)C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000004636	1	39	0.0	-10.40	339.55	5.51	-4.89
CCCC(NC(=O)CC(C)C1=CC=C(F)C(Br)=C1)C1=NNN=N1	REAL000000004637	1	42	0.0	-8.16	356.97	5.90	-2.26
CCCC(NC(=O)C(C)CC1=CN=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000004638	1	46	0.0	-10.70	369.76	3.74	-6.95
CCCC(NC(=O)CC1=C(Br)C=CS1)C1=NNN=N1	REAL000000004639	1	33	0.0	-10.15	312.03	3.99	-6.16
CCCC(NC(=O)CCOC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000004640	1	44	0.0	-12.19	361.71	3.29	-8.89
CCCC(NC(=O)C1=CC=C(C2CC2)N=C1C)C1=NNN=N1	REAL000000004641	1	42	0.0	-8.51	331.58	4.25	-4.26
CCCC(NC(=O)C1=CN=C(OC2CCCCC2)C(Cl)=C1)C1=NNN=N1	REAL000000004642	1	49	0.0	-10.60	404.51	4.74	-5.87
CCCC(NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=NNN=N1	REAL000000004643	1	44	0.0	-16.17	358.89	3.57	-12.60
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000004645	1	45	0.0	-9.67	355.36	2.91	-6.75
CCCC(NC(=O)C1=CNC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004646	1	34	0.0	-10.76	298.70	2.16	-8.60
CCCC(NC(=O)C1=CC=C2C=C(C)C=CC2=N1)C1=NNN=N1	REAL000000004647	1	41	0.0	-10.74	342.55	4.74	-6.00
CCCC(NC(=O)C1=CC=C(C(=O)OC)N1C)C1=NNN=N1	REAL000000004648	1	40	0.0	-9.34	327.36	3.31	-6.03
CCCC(NC(=O)C(C)NS(=O)(=O)CC)C1=NNN=N1	REAL000000004649	1	40	0.0	-17.05	338.09	-1.59	-18.64
CCCC(NC(=O)C1=CC(=O)NC(C2CC2)=N1)C1=NNN=N1	REAL000000004650	1	39	0.0	-15.04	330.78	2.02	-13.02
CCCC(NC(=O)C1=CC=C2C(C)=CC(=O)NC2=C1)C1=NNN=N1	REAL000000004651	1	42	0.0	-18.51	348.54	3.33	-15.18
CCCC(NC(=O)CC1=CC=CC(Cl)=C1F)C1=NNN=N1	REAL000000004652	1	36	0.0	-12.64	323.99	4.86	-7.78
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1CC)C1=NNN=N1	REAL000000004653	1	56	0.0	-14.27	415.84	5.16	-9.11
CCCC(NC(=O)C(=O)NC1=CC=C(Cl)C(F)=C1)C1=NNN=N1	REAL000000004654	1	37	0.0	-10.41	337.79	2.48	-7.93
CCCC(NC(=O)C1=CC=C(C2CCCC2)C=C1)C1=NNN=N1	REAL000000004655	1	46	0.0	-10.13	361.86	6.86	-3.27
CCCC(NC(=O)C1CCN(C2=CC=CC=C2Cl)C1)C1=NNN=N1	REAL000000004656	1	45	0.0	-8.55	367.30	4.59	-3.96
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2S1)C1=NNN=N1	REAL000000004657	1	39	0.0	-10.14	338.19	5.73	-4.41
CCCC(NC(=O)CCCC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000004658	1	42	0.0	-9.32	350.75	5.95	-3.37
CCCC(NC(=O)CCCN1C(C)=CC(=O)C=C1C)C1=NNN=N1	REAL000000004659	1	48	0.0	-28.99	381.69	5.33	-23.66
CCCC(NC(=O)COC1=CC(F)=CC(F)=C1)C1=NNN=N1	REAL000000004660	1	37	0.0	-10.07	316.87	3.93	-6.14
CCCC(NC(=O)C1CCN(C2=CC=CC=C2F)C1)C1=NNN=N1	REAL000000004661	1	45	0.0	-12.87	364.76	4.24	-8.63
CCCC(NC(=O)C1=C(CC(=O)OC)OC=C1C)C1=NNN=N1	REAL000000004662	1	42	0.0	-14.24	354.59	3.53	-10.72
CCCC(NC(=O)C1=CC=C(C2=CCCC2)C=C1)C1=NNN=N1	REAL000000004663	1	44	0.0	-7.18	351.25	6.65	-0.53
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=NNN=N1	REAL000000004664	1	45	0.0	-6.26	353.99	5.87	-0.39
CCCC(NC(=O)C1=CON=C1C(F)(F)F)C1=NNN=N1	REAL000000004665	1	32	0.0	-16.92	294.38	2.10	-14.81
CCCC(NC(=O)C1=NC(N)=NC(N(C)C)=N1)C1=NNN=N1	REAL000000004666	1	40	0.0	-13.42	337.41	4.40	-9.02
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=NC=C1Cl)C1=NNN=N1	REAL000000004667	1	38	0.0	-15.47	340.21	-0.52	-15.99
CCCC(NC(=O)CN1C(=O)C(F)(F)OC2=CC=CC=C21)C1=NNN=N1	REAL000000004668	1	42	0.0	-20.71	361.51	3.38	-17.33
CCCC(NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000004669	1	60	0.0	-16.00	459.05	6.70	-9.30
CCCC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000004670	1	55	0.0	-14.75	415.74	2.13	-12.62
CCCC(NC(=O)CNS(=O)(=O)N(C)C)C1=NNN=N1	REAL000000004671	1	39	0.0	-17.42	333.55	-2.73	-20.15
CCCC(NC(=O)C1=C(Br)SC(C)=N1)C1=NNN=N1	REAL000000004672	1	32	0.0	-10.18	304.70	2.10	-8.08
CCCC(NC(=O)C1=CN=C2NC(=O)NC2=C1)C1=NNN=N1	REAL000000004673	1	36	0.0	-14.09	308.40	-0.30	-14.39
CCCC(NC(=O)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000004674	1	41	0.0	-8.06	359.04	5.16	-2.89
CCCC(NC(=O)C1=CC=NC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004675	1	35	0.0	-13.88	313.41	2.98	-10.90
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)N2)C1=NNN=N1	REAL000000004676	1	37	0.0	-17.91	311.23	0.66	-17.25
CCCC(NC(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=NNN=N1	REAL000000004677	1	37	0.0	-15.97	331.59	-2.56	-18.52
CCCC(NC(=O)C1=CC=C(NC2=NC(C)=CS2)C=C1)C1=NNN=N1	REAL000000004678	1	44	0.0	-13.32	374.60	4.69	-8.64
CCCC(NC(=O)C1=NC(N)=NC(N2CCOCC2)=N1)C1=NNN=N1	REAL000000004679	1	45	0.0	-13.23	369.42	2.28	-10.95
CCCC(NC(=O)C1=CN=C(OCC(F)F)C=N1)C1=NNN=N1	REAL000000004680	1	38	0.0	-9.65	329.62	-0.53	-10.18
CCCC(NC(=O)C1=CN(C2CCOCC2)N=N1)C1=NNN=N1	REAL000000004681	1	43	0.0	-11.04	351.52	0.82	-10.22
CCCC(NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C1=NNN=N1	REAL000000004682	1	47	0.0	-21.46	387.85	0.66	-20.79
CCCC(NC(=O)C1=CC2=CC=CC(C)=C2S1)C1=NNN=N1	REAL000000004693	1	39	0.0	-10.46	337.12	5.70	-4.76
CCCC(NC(=O)C1=C(Br)N=NN1C)C1=NNN=N1	REAL000000004694	1	32	0.0	-10.06	291.91	0.09	-9.97
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004695	0	48	0.0	-60.49	378.08	6.47	-54.02
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000004695	1	48	0.0	-59.97	379.55	6.57	-53.40
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004695	1	48	0.0	-60.48	378.02	6.47	-54.01
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000004695	1	48	0.0	-59.95	379.49	6.58	-53.38
CCCC(NC(=O)C1=NC=C(Br)S1)C1=NNN=N1	REAL000000004696	1	29	0.0	-11.13	286.79	1.44	-9.69
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=NNN=N1	REAL000000004697	1	39	0.0	-17.86	316.98	2.75	-15.10
CCCC(NC(=O)CCOC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004698	1	46	0.0	-12.09	378.24	6.22	-5.88
CCCC(NC(=O)C1=C(Br)C=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000004699	1	38	0.0	-9.09	330.17	4.37	-4.72
CCCC(NC(=O)[C@H](C)OC1=C2C=CC=CC2=C(Cl)C=C1)C1=NNN=N1	REAL000000004700	1	46	0.0	-14.51	387.30	7.56	-6.95
CCCC(NC(=O)C1=C2N=CN(C)C2=NC=C1)C1=NNN=N1	REAL000000004701	1	38	0.0	-20.91	320.85	4.31	-16.60
CCCC(NC(=O)C1=CC=C2NC(=O)CSC2=C1)C1=NNN=N1	REAL000000004702	1	39	0.0	-15.12	337.72	2.70	-12.43
CCCC1=NN=C(SCC(=O)NC(CCC)C2=NNN=N2)N1N	REAL000000004703	1	44	0.0	-12.75	372.15	3.09	-9.66
CCCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1C)C1=NNN=N1	REAL000000004704	1	56	0.0	-11.25	401.62	5.08	-6.17
CCCC(NC(=O)CC1=CC=C(C)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004705	1	41	0.0	-15.74	346.57	5.50	-10.24
CCCC(NC(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=NNN=N1	REAL000000004706	1	44	0.0	-11.62	354.44	4.64	-6.98
CCCC(NC(=O)CC1=CC=C(C)N=C1Cl)C1=NNN=N1	REAL000000004707	1	38	0.0	-15.83	332.90	3.50	-12.33
CCCC(NC(=O)C1CCOC(C2=CC=CC=C2)O1)C1=NNN=N1	REAL000000004708	1	45	0.0	-14.24	359.40	4.74	-9.50
CCCC(NC(=O)C1CCC2=C(C1)N(C)N=N2)C1=NNN=N1	REAL000000004709	1	42	0.0	-13.20	330.32	2.11	-11.09
CCCC(NC(=O)C1=C2C=CC=C(OC)C2=NN1)C1=NNN=N1	REAL000000004710	1	40	0.0	-14.38	334.22	1.66	-12.72
CCCC(NC(=O)C(F)C1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000004712	1	50	0.0	-14.35	392.47	3.31	-11.04
CCCC(NC(=O)C1=CC(Cl)=C(Cl)N=C1C)C1=NNN=N1	REAL000000004713	1	35	0.0	-9.12	321.10	3.43	-5.69
CCCC(NC(=O)C1=C(C)N(CC2=CC(C)=NO2)N=N1)C1=NNN=N1	REAL000000004714	1	44	0.0	-14.62	374.01	2.54	-12.08
CCCC(NC(=O)C1=CN=C(C(C)(C)C)N=C1)C1=NNN=N1	REAL000000004715	1	43	0.0	-7.76	342.40	3.31	-4.44
CCCC(NC(=O)C1=CC=C(C(=O)OCC)C=C1)C1=NNN=N1	REAL000000004716	1	42	0.0	-13.20	354.34	5.24	-7.95
CCCC(NC(=O)C1=C(C)C2=CC=C(F)C=C2S1)C1=NNN=N1	REAL000000004717	1	39	0.0	-9.05	337.85	5.74	-3.32
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000004718	1	37	0.0	-11.83	326.68	2.90	-8.93
CCCC(NC(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000004720	1	41	0.0	-12.51	344.95	4.39	-8.12
CCCC(NC(=O)C(C)CC1=C2C=CC=CC2=CN=C1)C1=NNN=N1	REAL000000004721	1	47	0.0	-11.70	369.99	5.70	-6.01
CCCC(NC(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=NNN=N1	REAL000000004722	1	45	0.0	-21.59	372.25	5.69	-15.90
CCCC(NC(=O)CC1=C(C(C)=O)OC2=CC(C)=CC=C21)C1=NNN=N1	REAL000000004723	1	47	0.0	-11.65	384.83	5.65	-6.00
CCCC(NC(=O)CCSC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000004724	1	40	0.0	-10.20	359.28	6.13	-4.07
CCCC(NC(=O)C1=CC=C(N(C)C(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000004725	1	50	0.0	-12.04	408.91	5.08	-6.96
CCCC(NC(=O)C1=CN=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000004726	1	35	0.0	-7.62	304.39	2.52	-5.10
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1F)C1=NNN=N1	REAL000000004727	1	37	0.0	-7.55	320.57	2.62	-4.93
CCCC(NC(=O)C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1)C1=NNN=N1	REAL000000004728	1	46	0.0	-14.26	401.12	8.80	-5.46
CCCC(NC(=O)C1=CC(Cl)=NC=C1Br)C1=NNN=N1	REAL000000004729	1	32	0.0	-9.40	306.26	2.93	-6.46
CCCC(NC(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=NNN=N1	REAL000000004730	1	34	0.0	-10.03	318.86	3.29	-6.74
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)OC)S1)C1=NNN=N1	REAL000000004731	1	45	0.0	-9.64	370.71	2.35	-7.29
CCCC(NC(=O)CN1N=C(C(F)(F)F)C=C1C)C1=NNN=N1	REAL000000004732	1	39	0.0	-18.15	344.84	3.20	-14.95
CCCC(NC(=O)CN1N=C(C(F)(F)F)C(Cl)=C1C)C1=NNN=N1	REAL000000004733	1	39	0.0	-14.35	353.77	3.35	-11.00
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=NNN=N1	REAL000000004734	1	40	0.0	-14.72	335.79	5.72	-9.00
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000004735	1	40	0.0	-9.61	351.57	6.29	-3.32
CCCC(NC(=O)C(C)N1C=NC2=C(N)N=CN=C21)C1=NNN=N1	REAL000000004736	1	42	0.0	-13.52	344.91	2.94	-10.58
CCCC(NC(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=NNN=N1	REAL000000004737	1	47	0.0	-11.95	379.08	4.13	-7.82
CCCC(NC(=O)C1CCC2=NN=NN2CC1)C1=NNN=N1	REAL000000004738	1	41	0.0	-20.59	326.91	2.09	-18.50
CCCC(NC(=O)C1=CN=C(C2(C)OCCO2)S1)C1=NNN=N1	REAL000000004739	1	41	0.0	-13.20	354.10	1.14	-12.06
CCCC(NC(=O)CCCC(O)C1=CC=CC=C1)C1=NNN=N1	REAL000000004740	1	46	0.0	-13.34	374.05	3.56	-9.78
CCCC(NC(=O)C1CN(C(=O)C2CCCCC2)C1)C1=NNN=N1	REAL000000004741	1	50	0.0	-13.68	381.95	4.02	-9.65
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000004742	1	44	0.0	-9.99	352.61	4.65	-5.33
CCCC(NC(=O)C1=CC=C(I)C=N1)C1=NNN=N1	REAL000000004743	1	32	0.0	-8.02	302.75	3.01	-5.02
CCCC(NC(=O)C1=CC=C(C(C)C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004744	1	42	0.0	-11.35	352.70	5.84	-5.50
CCCC(NC(=O)C1=C(C)N=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000004745	1	41	0.0	-13.65	335.27	4.68	-8.97
CCCC(NC(=O)CC1=CC=CC=C1OC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000004746	1	50	0.0	-12.86	412.23	7.90	-4.95
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=NNN=N1	REAL000000004747	1	46	0.0	-14.46	384.25	3.33	-11.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000004748	1	43	0.0	-11.53	356.39	6.16	-5.37
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000004749	1	43	0.0	-11.05	369.02	6.67	-4.38
CCCC(NC(=O)CC1CS(=O)(=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000004750	1	44	0.0	-22.79	373.62	1.99	-20.80
CCCC(NC(=O)COCC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000004751	1	40	0.0	-14.67	353.56	5.22	-9.45
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C)C=C2)C=N1)C1=NNN=N1	REAL000000004752	1	46	0.0	-7.92	377.89	5.08	-2.84
CCCC(NC(=O)C1=CC(Br)=CO1)C1=NNN=N1	REAL000000004753	1	30	0.0	-9.63	283.67	2.28	-7.35
CCCC(NC(=O)C1=CC=C(NC2=NC=CS2)C=C1F)C1=NNN=N1	REAL000000004754	1	41	0.0	-16.31	357.29	4.16	-12.15
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2)C=N1)C1=NNN=N1	REAL000000004755	1	43	0.0	-10.35	371.78	4.90	-5.45
CCCC(NC(=O)C1=C(C)N(NC(N)=O)C(C)=C1)C1=NNN=N1	REAL000000004756	1	43	0.0	-13.45	343.01	-0.26	-13.71
CCCC(NC(=O)CC1CCN(OCC)CC1)C1=NNN=N1	REAL000000004757	1	48	0.0	-11.38	367.56	2.70	-8.68
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C)C=N1)C1=NNN=N1	REAL000000004758	1	46	0.0	-9.87	384.53	5.49	-4.38
CCCC(NC(=O)CC1=CC=CC=C1OC1CCCC1)C1=NNN=N1	REAL000000004759	1	50	0.0	-11.35	396.22	6.60	-4.74
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)C1=NNN=N1	REAL000000004760	1	43	0.0	-9.88	382.10	5.34	-4.54
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(OC)=C1)C1=NNN=N1	REAL000000004761	1	44	0.0	-13.68	379.14	5.26	-8.42
CCCC(NC(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=N1)C1=NNN=N1	REAL000000004762	1	46	0.0	-9.82	386.77	5.50	-4.32
CCCC(NC(=O)C1=CC(C)=CC(C(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000004763	1	51	0.0	-8.42	401.60	6.69	-1.72
CCCC(NC(=O)C=CC1=CC=C(C2CC2)C=C1)C1=NNN=N1	REAL000000004764	1	44	0.0	-7.75	354.24	6.62	-1.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000004765	1	40	0.0	-7.70	344.40	5.97	-1.73
CCCC(NC(=O)C1=C(Br)C=C(C)S1)C1=NNN=N1	REAL000000004766	1	33	0.0	-10.48	309.36	4.07	-6.41
CCCC(NC(=O)CCC1=C(C(=O)OC)N=CO1)C1=NNN=N1	REAL000000004767	1	41	0.0	-13.35	345.09	0.12	-13.23
CCCC(NC(=O)C1=C(Br)N=C2CCCCN21)C1=NNN=N1	REAL000000004768	1	40	0.0	-14.50	346.81	4.16	-10.34
CCCC(NC(=O)C(C)=CC1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000004769	1	44	0.0	-10.71	370.82	5.23	-5.49
CCCC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL000000004770	0	48	0.0	-57.89	366.52	5.43	-52.46
CCCC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL000000004770	1	48	0.0	-57.88	366.47	5.42	-52.46
CCCC(NC(=O)C=CC1=CC=C(OC)C(S(N)(=O)=O)=C1)C1=NNN=N1	REAL000000004771	1	46	0.0	-17.95	387.32	-0.70	-18.65
CCCC(NC(=O)COC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000004773	1	42	0.0	-21.25	365.44	-0.81	-22.06
CCCC(NC(=O)CSC1=CC=C(S(N)(=O)=O)C=C1)C1=NNN=N1	REAL000000004774	1	42	0.0	-19.35	375.09	-0.24	-19.59
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C(Cl)=C1)C1=NNN=N1	REAL000000004775	1	38	0.0	-16.31	344.93	-0.83	-17.14
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(O)=C1)C1=NNN=N1	REAL000000004776	1	41	0.0	-13.62	360.67	3.10	-10.52
CCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL000000004777	0	52	0.0	-63.58	389.90	3.23	-60.35
CCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL000000004777	1	52	0.0	-63.57	389.84	3.23	-60.34
CCCC(NC(=O)C1=CN(CC(OCC)OCC)N=C1)C1=NNN=N1	REAL000000004778	1	50	0.0	-13.32	406.79	3.25	-10.07
CCCC(NC(=O)C1=CN(CC2(CC)COC2)N=N1)C1=NNN=N1	REAL000000004779	1	46	0.0	-12.22	364.42	1.20	-11.02
CCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL000000004780	0	55	0.0	-62.85	411.40	4.04	-58.80
CCCC(NC(=O)C1=CN=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000004781	1	34	0.0	-8.30	309.52	1.06	-7.24
CCCC(NC(=O)C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1)C1=NNN=N1	REAL000000004782	1	42	0.0	-12.38	391.43	4.75	-7.63
CCCC(NC(=O)C1CCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000004783	1	47	0.0	-15.99	365.70	3.26	-12.73
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN=C2NC)C1=NNN=N1	REAL000000004784	1	42	0.0	-17.87	347.55	3.88	-13.99
CCCC(NC(=O)C1=CC(F)=CC(N2CCOCC2)=C1)C1=NNN=N1	REAL000000004785	1	46	0.0	-10.44	368.08	2.57	-7.87
CCCC(NC(=O)C1=NN(C)C(Br)=C1)C1=NNN=N1	REAL000000004786	1	33	0.0	-10.36	303.64	1.89	-8.47
CCCC(NC(=O)C1=CC(OC)=CC(Cl)=C1F)C1=NNN=N1	REAL000000004787	1	37	0.0	-13.07	327.91	3.55	-9.53
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1C)C1=NNN=N1	REAL000000004788	1	43	0.0	-13.05	363.21	5.47	-7.57
CCCC(NC(=O)[C@@H](C)N1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000004789	1	43	0.0	-14.33	353.94	4.31	-10.03
CCCC(NC(=O)C1=C2C=CC=CC2=C(C)C=C1)C1=NNN=N1	REAL000000004790	1	42	0.0	-12.52	336.08	6.42	-6.10
CCCC(NC(=O)C(C)CC1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000004791	1	46	0.0	-9.92	385.12	5.39	-4.53
CCCC(NC(=O)C1CC1(F)C1=CC=CC=C1)C1=NNN=N1	REAL000000004792	1	40	0.0	-14.78	334.04	5.70	-9.08
CCCC(NC(=O)C1=C(Br)N=C2CCCN21)C1=NNN=N1	REAL000000004793	1	37	0.0	-16.91	322.30	3.68	-13.23
CCCC(NC(=O)C1CC2=CC=CC(C)=C2O1)C1=NNN=N1	REAL000000004794	1	41	0.0	-11.20	331.02	4.79	-6.41
CCCC(NC(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=NNN=N1	REAL000000004795	1	40	0.0	-13.36	346.61	3.28	-10.08
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=CC=C3)N2C1)C1=NNN=N1	REAL000000004796	1	49	0.0	-18.40	390.94	6.97	-11.43
CCCC(NC(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=NNN=N1	REAL000000004797	1	40	0.0	-11.74	343.86	4.41	-7.33
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=CC(C)=C3)N2C1)C1=NNN=N1	REAL000000004798	1	52	0.0	-15.03	405.39	7.31	-7.72
CCCC(NC(=O)COC1=CC=CC(Br)=C1C#N)C1=NNN=N1	REAL000000004799	1	38	0.0	-23.74	351.22	5.13	-18.61
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=NNN=N1	REAL000000004800	1	43	0.0	-12.15	357.71	4.95	-7.19
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=NNN=N1	REAL000000004801	1	41	0.0	-12.89	341.30	2.83	-10.07
CCCC(NC(=O)C1=CN(CCCNC(=O)OC(C)(C)C)N=N1)C1=NNN=N1	REAL000000004802	1	55	0.0	-15.88	448.38	1.36	-14.52
CCCC(NC(=O)CC1=C(C)C=C(N(C)C)C=C1C)C1=NNN=N1	REAL000000004803	1	50	0.0	-12.79	387.51	5.77	-7.03
CCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL000000004804	0	44	0.0	-71.75	358.86	3.55	-68.21
CCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL000000004804	1	44	0.0	-71.75	358.81	3.55	-68.20
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1C)C1=NNN=N1	REAL000000004805	1	43	0.0	-11.29	368.48	6.39	-4.90
CCCC(NC(=O)CC(O)(CC)C1=CC=CC=C1)C1=NNN=N1	REAL000000004806	1	46	0.0	-9.70	358.64	3.99	-5.71
CCCC(NC(=O)C1=C(C)C2=CC=CC(Cl)=C2N1)C1=NNN=N1	REAL000000004807	1	40	0.0	-9.87	345.84	4.78	-5.09
CCCC(NC(=O)C1=C(Br)C=NN1C)C1=NNN=N1	REAL000000004808	1	33	0.0	-9.50	304.53	1.90	-7.60
CCCC(NC(=O)CCS(=O)(=O)CC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000004809	1	48	0.0	-18.01	408.77	3.50	-14.52
CCCC(NC(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=NNN=N1	REAL000000004810	1	41	0.0	-13.98	340.52	5.10	-8.89
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000004811	1	40	0.0	-10.09	362.19	6.66	-3.43
CCCC(NC(=O)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000004812	1	50	0.0	-16.54	414.53	6.06	-10.49
CCCC(NC(=O)CC1CSC2=CC=CC=C2O1)C1=NNN=N1	REAL000000004813	1	42	0.0	-15.86	355.05	5.64	-10.21
CCCC(NC(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000004814	1	46	0.0	-12.44	380.53	8.09	-4.35
CCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL000000004815	0	51	0.0	-64.88	394.26	7.43	-57.45
CCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL000000004815	1	51	0.0	-64.88	394.21	7.43	-57.45
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC(C)C)=C1)C1=NNN=N1	REAL000000004816	1	45	0.0	-14.77	372.97	5.96	-8.81
CCCC(NC(=O)C1=CN(C2=CC=CC=C2C)N=N1)C1=NNN=N1	REAL000000004817	1	42	0.0	-11.39	350.63	4.08	-7.31
CCCC(NC(=O)C(C)CC1=CC=C(OCC)C=C1)C1=NNN=N1	REAL000000004818	1	49	0.0	-11.04	390.49	5.85	-5.19
CCCC(NC(=O)C1CCC2=CC=CC=C2O1)C1=NNN=N1	REAL000000004819	1	41	0.0	-14.46	334.22	5.33	-9.13
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000004820	1	42	0.0	-15.02	358.49	6.35	-8.67
CCCC(NC(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=NNN=N1	REAL000000004821	1	47	0.0	-12.20	365.63	5.29	-6.91
CCCC(NC(=O)C1=NN(C)C2=C1CCCC2)C1=NNN=N1	REAL000000004822	1	43	0.0	-13.26	343.29	3.79	-9.47
CCCC(NC(=O)C1=CC=C(OC(CC)CC)C=C1)C1=NNN=N1	REAL000000004823	1	49	0.0	-7.63	375.27	5.57	-2.06
CCCC(NC(=O)CC1=CC=CC=C1OC1CCOC1)C1=NNN=N1	REAL000000004824	1	48	0.0	-13.88	386.51	4.05	-9.84
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1OC)C1=NNN=N1	REAL000000004825	1	44	0.0	-13.38	379.63	5.24	-8.14
CCCC(NC(=O)CC1=CC=CC=C1S(=O)(=O)C(F)F)C1=NNN=N1	REAL000000004826	1	42	0.0	-16.17	362.75	2.11	-14.05
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=NNN=N1	REAL000000004827	1	41	0.0	-14.82	351.18	6.06	-8.76
CCCC(NC(=O)C1=CSC(C2CCCCC2)=N1)C1=NNN=N1	REAL000000004828	1	45	0.0	-9.18	369.68	4.61	-4.57
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000004829	1	40	0.0	-7.74	339.84	5.86	-1.89
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1OC)C1=NNN=N1	REAL000000004830	1	44	0.0	-13.91	358.65	5.04	-8.86
CCCC(NC(=O)C1=CN(C2=CC=CC=C2CC)N=N1)C1=NNN=N1	REAL000000004831	1	45	0.0	-9.87	362.34	4.49	-5.38
CCCC(NC(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000004832	1	39	0.0	-13.85	338.17	3.06	-10.79
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=NNN=N1	REAL000000004833	1	38	0.0	-12.03	330.02	1.55	-10.47
CCCC(NC(=O)C(=O)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000004834	1	32	0.0	-5.68	304.37	2.93	-2.75
CCCC(NC(=O)C1=COC(C2=C(F)C=CC=C2F)=N1)C1=NNN=N1	REAL000000004835	1	39	0.0	-13.68	346.92	2.53	-11.15
CCCC(NC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2O1)C1=NNN=N1	REAL000000004836	1	38	0.0	-10.71	344.34	4.42	-6.29
CCCC(NC(=O)CC1=CC=CC(OCC=C(C)C)=C1)C1=NNN=N1	REAL000000004837	1	50	0.0	-13.05	405.69	6.58	-6.47
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)C1=NNN=N1	REAL000000004838	1	50	0.0	-14.04	399.02	6.91	-7.13
CCCC(NC(=O)C1=CC=C(S(=O)(=O)C2CCC2)C=C1)C1=NNN=N1	REAL000000004839	1	46	0.0	-16.44	385.91	3.51	-12.93
CCCC(NC(=O)CC1=NOC2=CC=C(OC)C=C21)C1=NNN=N1	REAL000000004840	1	42	0.0	-18.73	355.26	2.96	-15.77
CCCC(NC(=O)CC1=NOC2=CC=C(F)C=C21)C1=NNN=N1	REAL000000004841	1	38	0.0	-13.59	325.04	3.39	-10.20
CCCC(NC(=O)CN1CCCCC(OC)C1=O)C1=NNN=N1	REAL000000004842	1	47	0.0	-13.27	362.73	2.95	-10.32
CCCC(NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000004843	1	53	0.0	-11.66	409.56	2.94	-8.72
CCCC(NC(=O)C1=CC=C(C(C)NC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000004844	1	56	0.0	-10.93	435.90	4.67	-6.25
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)C1=NNN=N1	REAL000000004845	1	50	0.0	-9.57	398.90	6.83	-2.74
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)C1=NNN=N1	REAL000000004846	1	47	0.0	-19.02	399.78	6.88	-12.13
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C2=C1CCC2)C1=NNN=N1	REAL000000004847	1	50	0.0	-14.16	407.69	7.16	-7.00
CCCC(NC(=O)C1=NN(C2=C(C)C=CC=C2F)C2=C1CCC2)C1=NNN=N1	REAL000000004848	1	50	0.0	-14.21	408.71	7.53	-6.69
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)C1=NNN=N1	REAL000000004849	1	47	0.0	-12.83	385.45	6.37	-6.47
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)S1)C1=NNN=N1	REAL000000004850	1	36	0.0	-14.34	325.28	-0.09	-14.43
CCCC(NC(=O)CC1=NN(C)C2=CC=CC=C21)C1=NNN=N1	REAL000000004851	1	42	0.0	-13.85	345.12	3.86	-9.99
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C1=NNN=N1	REAL000000004852	1	41	0.0	-10.72	340.84	5.65	-5.08
CCCC(NC(=O)C1=CC=C(C(C)(C)C)C=N1)C1=NNN=N1	REAL000000004853	1	44	0.0	-9.27	351.44	4.24	-5.03
CCCC(NC(=O)C1=CC(=O)C2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000004854	1	38	0.0	-13.03	349.03	4.51	-8.51
CCCC(NC(=O)C1=CC=C(N2C=CC=N2)C(C)=C1)C1=NNN=N1	REAL000000004855	1	43	0.0	-15.16	351.58	5.79	-9.36
CCCC(NC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1)C1=NNN=N1	REAL000000004856	1	46	0.0	-14.85	383.78	5.18	-9.67
CCCC(NC(=O)C=CC1(C)CCC(C)C1(C)C)C1=NNN=N1	REAL000000004857	1	52	0.0	-9.39	382.29	6.27	-3.11
CCCC(NC(=O)CC1=C(C)N=C(SC2CCCC2)S1)C1=NNN=N1	REAL000000004858	1	49	0.0	-12.81	413.59	6.32	-6.49
CCCC(NC(=O)C(=CC1=CC=CS1)NC(C)=O)C1=NNN=N1	REAL000000004860	1	41	0.0	-15.15	353.13	3.98	-11.17
CCCC(NC(=O)C1=CC(C(=O)OC)=CC=N1)C1=NNN=N1	REAL000000004862	1	38	0.0	-11.86	322.91	2.27	-9.59
CCCC(NC(=O)C1=CC(NC)=CC=C1Cl)C1=NNN=N1	REAL000000004863	1	38	0.0	-12.09	325.23	2.98	-9.11
CCCC(NC(=O)C(C(=O)OCC)C1=CC=CC=C1)C1=NNN=N1	REAL000000004864	1	45	0.0	-13.84	375.19	6.05	-7.79
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=NNN=N1	REAL000000004865	1	39	0.0	-18.26	351.59	1.58	-16.67
CCCC(NC(=O)CC1=NSC2=CC=CC=C21)C1=NNN=N1	REAL000000004866	1	38	0.0	-13.35	325.91	3.99	-9.36
CCCC(NC(=O)CC1=NOC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000004867	1	38	0.0	-16.87	347.08	4.28	-12.59
CCCC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(C)=C1)C1=NNN=N1	REAL000000004868	1	43	0.0	-11.43	366.58	6.36	-5.07
CCCC(NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=NNN=N1	REAL000000004869	1	41	0.0	-18.89	360.76	4.54	-14.34
CCCC(NC(=O)CC1=C(C)N(COCC)N=C1C)C1=NNN=N1	REAL000000004870	1	49	0.0	-17.33	398.94	2.64	-14.69
CCCC(NC(=O)C(C)=CC1CCC(C)CC1)C1=NNN=N1	REAL000000004871	1	49	0.0	-9.48	367.29	6.35	-3.13
CCCC(NC(=O)C(C)CC1=C(C)N(COCC)N=C1C)C1=NNN=N1	REAL000000004872	1	55	0.0	-14.71	432.45	3.77	-10.94
CCCC(NC(=O)C(CCC)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000005183	1	45	0.0	-10.10	376.08	6.84	-3.26
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=NNN=N1	REAL000000005184	1	47	0.0	-17.11	385.73	6.06	-11.06
CCCC(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005185	1	53	0.0	-13.51	408.77	1.97	-11.55
CCCC(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=NNN=N1	REAL000000005186	1	43	0.0	-15.91	358.31	6.72	-9.19
CCCC(NC(=O)CN1CSCCSC1)C1=NNN=N1	REAL000000005187	1	40	0.0	-11.40	336.98	2.15	-9.25
CCCC(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000005188	1	41	0.0	-13.96	351.24	5.02	-8.95
CCCC(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=NNN=N1	REAL000000005189	1	49	0.0	-14.95	390.15	4.18	-10.77
CCCC(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005190	1	54	0.0	-13.25	400.57	2.06	-11.19
CCCC(NC(=O)C1CC(=O)NC2CCCCC21)C1=NNN=N1	REAL000000005191	1	47	0.0	-14.16	360.24	2.25	-11.91
CCCC(NC(=O)CCN1CSCCSC1)C1=NNN=N1	REAL000000005203	1	43	0.0	-8.35	349.14	2.10	-6.25
CCCC(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=NNN=N1	REAL000000005204	1	43	0.0	-16.00	364.81	-2.27	-18.27
CCCC(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=NNN=N1	REAL000000005205	1	37	0.0	-11.55	324.09	5.39	-6.17
CCCC(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=NNN=N1	REAL000000005206	1	38	0.0	-17.26	334.64	3.71	-13.55
CCCC(NC(=O)CC1=CC=C(SCC)C=C1Br)C1=NNN=N1	REAL000000005207	1	43	0.0	-11.91	381.69	6.69	-5.22
CCCC(NC(=O)C1CCC2=CC=CC=C2CC1)C1=NNN=N1	REAL000000005208	1	46	0.0	-8.35	348.00	6.25	-2.09
CCCC(NC(=O)CC(C1CCC1)C1CCC1)C1=NNN=N1	REAL000000005209	1	49	0.0	-8.57	367.11	6.53	-2.04
CCCC(NC(=O)C(C)OCC1=CC=C(C)C=C1)C1=NNN=N1	REAL000000005210	1	46	0.0	-14.28	377.23	6.13	-8.14
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=NNN=N1	REAL000000005211	1	36	0.0	-9.44	338.09	5.68	-3.77
CCCC(NC(=O)C1=C2SC=CC2=NC=N1)C1=NNN=N1	REAL000000005212	1	34	0.0	-10.77	304.67	2.98	-7.79
CCCC(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=NNN=N1	REAL000000005223	1	41	0.0	-10.41	338.64	4.25	-6.15
CCCC(NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=NNN=N1	REAL000000005224	1	39	0.0	-15.67	335.47	-0.28	-15.95
CCCC(NC(=O)C(C)OCC1=CC=CC=C1C)C1=NNN=N1	REAL000000005225	1	46	0.0	-14.28	371.99	6.18	-8.10
CCCC(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005226	1	33	0.0	-8.26	302.40	3.43	-4.83
CCCC(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000005227	1	46	0.0	-10.87	363.38	6.71	-4.16
CCCC(NC(=O)C1=CN(CCCOC)N=C1)C1=NNN=N1	REAL000000005228	1	43	0.0	-13.89	359.46	2.08	-11.81
CCCC(NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=NNN=N1	REAL000000005229	1	47	0.0	-13.25	377.28	2.98	-10.27
CCCC(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=NNN=N1	REAL000000005230	1	44	0.0	-16.95	363.27	2.45	-14.51
CCCC(NC(=O)C1=C2C=CSC2=CN=C1)C1=NNN=N1	REAL000000005231	1	35	0.0	-11.10	305.63	3.20	-7.90
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000005232	1	40	0.0	-11.35	353.49	5.47	-5.88
CCCC(NC(=O)C1=C(C)N=C(SCC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000005253	1	46	0.0	-9.62	407.03	6.54	-3.08
CCCC(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000005254	1	40	0.0	-11.21	337.93	4.41	-6.79
CCCC(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=NNN=N1	REAL000000005255	1	35	0.0	-11.98	324.40	3.66	-8.32
CCCC(NC(=O)CCC1=CC(OC)=C(O)C(OC)=C1)C1=NNN=N1	REAL000000005256	1	48	0.0	-14.98	393.23	2.18	-12.80
CCCC(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NNN=N1	REAL000000005257	1	43	0.0	-12.74	359.66	3.61	-9.13
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=NNN=N1	REAL000000005258	1	49	0.0	-13.91	391.42	7.86	-6.05
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=NNN=N1	REAL000000005259	1	43	0.0	-11.20	370.90	4.08	-7.12
CCCC(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=NNN=N1	REAL000000005260	1	45	0.0	-12.30	355.55	4.17	-8.13
CCCC(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=NNN=N1	REAL000000005261	1	36	0.0	-11.22	319.21	3.55	-7.67
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=NNN=N1	REAL000000005262	1	43	0.0	-14.18	371.24	4.02	-10.16
CCCC(NC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005273	1	58	0.0	-9.62	440.51	3.96	-5.66
CCCC(NC(=O)C(C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C1=NNN=N1	REAL000000005274	1	57	0.0	-21.06	437.83	4.86	-16.21
CCCC(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005275	1	49	0.0	-16.20	388.21	2.40	-13.79
CCCC(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005276	1	51	0.0	-10.28	397.09	2.76	-7.52
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=NNN=N1	REAL000000005277	1	38	0.0	-13.90	334.83	-0.08	-13.98
CCCC(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=NNN=N1	REAL000000005280	1	37	0.0	-12.36	331.95	2.15	-10.21
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NNN=N1	REAL000000005281	1	50	0.0	-13.73	409.89	8.35	-5.38
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC=CC(C)=C1)C1=NNN=N1	REAL000000005282	1	49	0.0	-16.38	405.72	8.95	-7.43
CCCC(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=NNN=N1	REAL000000005283	1	41	0.0	-10.60	349.56	3.26	-7.34
CCCC(NC(=O)C1CCC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000005284	1	40	0.0	-7.61	322.51	5.17	-2.44
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=NNN=N1	REAL000000005285	1	46	0.0	-8.01	361.49	6.56	-1.45
CCCC(NC(=O)C1=CN(CCOCC)N=C1)C1=NNN=N1	REAL000000005286	1	43	0.0	-12.05	359.81	2.29	-9.77
CCCC(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=NNN=N1	REAL000000005287	1	49	0.0	-11.46	385.99	7.56	-3.89
CCCC(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=NNN=N1	REAL000000005288	1	46	0.0	-8.43	374.34	5.66	-2.77
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1)C1=NNN=N1	REAL000000005289	1	44	0.0	-9.54	356.36	4.76	-4.78
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000005290	1	41	0.0	-12.10	341.68	4.17	-7.93
CCCC(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000005291	1	36	0.0	-12.94	324.95	4.89	-8.05
CCCC(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NNN=N1	REAL000000005292	1	40	0.0	-11.87	354.82	4.55	-7.33
CCCC(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000005304	1	45	0.0	-21.32	387.73	3.36	-17.96
CCCC(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000005305	1	39	0.0	-11.49	363.75	1.27	-10.23
CCCC(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=NNN=N1	REAL000000005306	1	33	0.0	-12.34	295.80	1.19	-11.15
CCCC(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=NNN=N1	REAL000000005308	1	45	0.0	-15.26	370.76	4.70	-10.56
CCCC(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=NNN=N1	REAL000000005309	1	47	0.0	-10.11	374.06	3.40	-6.71
CCCC(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=NNN=N1	REAL000000005310	1	44	0.0	-10.94	358.66	2.07	-8.87
CCCC(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=NNN=N1	REAL000000005311	1	38	0.0	-12.97	315.73	3.04	-9.94
CCCC(NC(=O)C1=C(C)NN=C1I)C1=NNN=N1	REAL000000005312	1	33	0.0	-12.56	311.16	1.49	-11.07
CCCC(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=NNN=N1	REAL000000005323	1	42	0.0	-16.50	355.84	3.69	-12.81
CCCC(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=NNN=N1	REAL000000005324	1	38	0.0	-12.89	338.56	0.14	-12.75
CCCC(NC(=O)C1=CNN=C1I)C1=NNN=N1	REAL000000005325	1	30	0.0	-11.33	277.36	0.66	-10.68
CCCC(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=NNN=N1	REAL000000005326	1	36	0.0	-14.95	322.70	-1.55	-16.51
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=NNN=N1	REAL000000005327	1	55	0.0	-10.84	419.61	2.13	-8.71
C#CCN(CC(=O)NC(CCC)C1=NNN=N1)C(=O)OC(C)(C)C	REAL000000005328	1	48	0.0	-17.56	391.79	4.82	-12.74
CCCC(NC(=O)CC1CCCS1(=O)=O)C1=NNN=N1	REAL000000005329	1	39	0.0	-24.40	323.38	0.20	-24.20
CCCC(NC(=O)C=CC(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000005330	1	42	0.0	-11.24	356.17	5.41	-5.83
CCCC(NC(=O)C1=CC=C2NC=NC2=C1F)C1=NNN=N1	REAL000000005331	1	36	0.0	-23.35	307.90	3.39	-19.96
CCCC(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=NNN=N1	REAL000000005332	1	40	0.0	-22.44	338.82	3.57	-18.87
CCCC(NC(=O)C1=CN=C(Br)N1CC)C1=NNN=N1	REAL000000005333	1	36	0.0	-7.79	313.54	3.07	-4.71
CCCC(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=NNN=N1	REAL000000005334	1	36	0.0	-15.73	318.96	1.84	-13.89
CCCC(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000005335	1	48	0.0	-13.88	404.09	0.03	-13.85
CCCC(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=NNN=N1	REAL000000005336	1	36	0.0	-12.85	325.37	4.78	-8.08
CCCC(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NNN=N1	REAL000000005337	1	52	0.0	-12.08	421.84	2.40	-9.68
CCCC(NC(=O)C1=CC(I)=NN1C)C1=NNN=N1	REAL000000005338	1	33	0.0	-7.21	299.22	1.97	-5.25
CCCC(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000005339	1	56	0.0	-14.86	429.16	3.72	-11.14
CCCC(NC(=O)C(C)=CC1=CC=C(Br)O1)C1=NNN=N1	REAL000000005340	1	37	0.0	-6.97	321.75	4.23	-2.75
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=NNN=N1	REAL000000005341	1	43	0.0	-10.63	373.86	4.16	-6.46
CCCC(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=NNN=N1	REAL000000005342	1	39	0.0	-19.47	330.98	3.44	-16.03
CCCC(NC(=O)C1=CC=C(C)C(N2C(C)=CC(C=O)=C2C)=C1)C1=NNN=N1	REAL000000005343	1	52	0.0	-13.21	418.75	7.94	-5.26
CCCC(NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=NNN=N1	REAL000000005344	1	49	0.0	-12.99	395.39	6.96	-6.04
CCCC(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=NNN=N1	REAL000000005346	1	35	0.0	-11.75	315.08	3.67	-8.09
CCCC(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=NNN=N1	REAL000000005347	1	40	0.0	-12.28	328.54	-1.77	-14.05
CCCC(NC(=O)C1=CN2C(C=O)=CN=C2C(Br)=C1)C1=NNN=N1	REAL000000005348	1	38	0.0	-14.35	348.96	4.35	-10.00
CCCC(NC(=O)C1=CN=C2SC=CC2=C1)C1=NNN=N1	REAL000000005349	1	35	0.0	-11.71	309.67	3.12	-8.59
CCCC(NC(=O)CC(F)(F)C(F)(F)F)C1=NNN=N1	REAL000000005350	1	32	0.0	-12.53	292.27	2.66	-9.87
CCCC(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NNN=N1	REAL000000005351	1	35	0.0	-8.73	313.43	2.39	-6.34
CCCC(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=NNN=N1	REAL000000005352	1	47	0.0	-17.08	385.40	2.39	-14.70
CCCC(NC(=O)C1=COC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005353	1	32	0.0	-7.30	291.10	-0.91	-8.21
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=NNN=N1	REAL000000005354	1	35	0.0	-11.51	325.18	3.03	-8.48
CCCC(NC(=O)C1=CC(C=O)=CC=C1OC)C1=NNN=N1	REAL000000005355	1	39	0.0	-17.07	328.19	3.96	-13.11
CCCC(NC(=O)C1CN(S(C)(=O)=O)C1)C1=NNN=N1	REAL000000005356	1	38	0.0	-16.80	328.60	-1.35	-18.15
CCCC(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=NNN=N1	REAL000000005357	1	43	0.0	-10.37	363.37	6.71	-3.65
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000005358	1	46	0.0	-11.02	386.22	5.19	-5.83
CCCC(NC(=O)[C@H]1CC[C@@H](CN2C=NC3=C(N)N=CN=C32)O1)C1=NNN=N1	REAL000000005359	1	50	0.0	-17.52	413.12	5.04	-12.48
CCCC(NC(=O)C1=CC=C(OC(C)C(F)(F)F)N=C1C)C1=NNN=N1	REAL000000005360	1	45	0.0	-10.65	381.11	3.27	-7.39
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=NNN=N1	REAL000000005361	1	39	0.0	-11.91	357.73	4.22	-7.69
CCCC(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=NNN=N1	REAL000000005362	1	49	0.0	-13.55	407.32	5.90	-7.65
CCCC(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NNN=N1	REAL000000005363	1	47	0.0	-14.97	380.47	6.45	-8.51
CCCC(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000005364	1	45	0.0	-18.95	368.63	0.29	-18.66
CCCC(NC(=O)C1=CC(C(=O)OC)=NN1C)C1=NNN=N1	REAL000000005365	1	39	0.0	-11.87	334.91	1.94	-9.93
CCCC(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C1=NNN=N1	REAL000000005366	1	43	0.0	-14.42	347.60	3.39	-11.04
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=NNN=N1	REAL000000005367	1	54	0.0	-7.78	420.22	7.61	-0.17
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2OC)C=C1)C1=NNN=N1	REAL000000005368	1	49	0.0	-9.04	388.90	5.08	-3.96
CCCC(NC(=O)C1=CC=C(NC2=CC=C(OC)C=C2OC)C=C1)C1=NNN=N1	REAL000000005369	1	53	0.0	-12.99	425.48	4.70	-8.29
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)(C)C)C=C1)C1=NNN=N1	REAL000000005370	1	57	0.0	-7.55	429.63	8.56	1.01
CCCC(NC(=O)C=CC1=CC=C(Cl)S1)C1=NNN=N1	REAL000000005371	1	34	0.0	-9.40	319.52	4.56	-4.84
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=NNN=N1	REAL000000005372	1	41	0.0	-10.15	349.92	4.38	-5.76
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=NNN=N1	REAL000000005373	1	44	0.0	-9.68	348.58	1.95	-7.73
CCCC(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NNN=N1	REAL000000005374	1	46	0.0	-10.34	355.65	4.24	-6.11
CCCC(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=NNN=N1	REAL000000005375	1	41	0.0	-9.76	357.37	6.80	-2.96
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000005376	1	43	0.0	-11.02	358.76	6.20	-4.82
CCCC(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=NNN=N1	REAL000000005377	1	41	0.0	-21.08	337.92	2.02	-19.07
CCCC(NC(=O)CC1CCC(F)(F)CC1)C1=NNN=N1	REAL000000005378	1	42	0.0	-10.94	333.32	4.74	-6.21
CCCC(NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005379	1	39	0.0	-18.93	344.18	3.37	-15.56
CCCC(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005380	1	47	0.0	-10.10	369.84	-2.24	-12.33
CCCC(NC(=O)C1=CC=C(CO)C=C1OC)C1=NNN=N1	REAL000000005381	1	41	0.0	-15.83	337.86	1.54	-14.29
CCCC(NC(=O)CC1CCN(CC(F)F)CC1)C1=NNN=N1	REAL000000005382	1	47	0.0	-13.01	360.03	2.67	-10.34
CCCC(NC(=O)C1=CC(C=O)=C(OC)C=C1OC)C1=NNN=N1	REAL000000005383	1	43	0.0	-18.80	355.34	4.59	-14.21
CCCC(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=NNN=N1	REAL000000005384	1	45	0.0	-20.55	377.35	4.50	-16.05
CCCC(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=NNN=N1	REAL000000005385	1	48	0.0	-18.10	398.85	5.29	-12.81
CCCC(NC(=O)CC(O)COCC1=CC=CC=C1)C1=NNN=N1	REAL000000005386	1	47	0.0	-17.67	389.14	3.02	-14.65
CCCC(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=NNN=N1	REAL000000005387	1	44	0.0	-14.21	366.59	4.64	-9.57
CCCC(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005388	1	53	0.0	-10.30	402.61	4.18	-6.12
CCCC(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005389	1	39	0.0	-11.54	338.31	4.68	-6.86
CCCC(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NNN=N1	REAL000000005390	1	43	0.0	-22.49	351.05	1.66	-20.84
CCCC(NC(=O)C1=CN2CC(C)CCC2=N1)C1=NNN=N1	REAL000000005391	1	43	0.0	-10.11	338.67	4.09	-6.02
CCCC(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000005392	1	47	0.0	-12.60	386.44	8.28	-4.32
CCCC(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NNN=N1	REAL000000005393	1	43	0.0	-20.46	350.36	2.98	-17.47
CCCC(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=NNN=N1	REAL000000005394	1	39	0.0	-17.25	334.16	-0.62	-17.88
CCCC(NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=NNN=N1	REAL000000005395	1	43	0.0	-14.24	365.26	2.98	-11.26
CCCC(NC(=O)C1CC2CSCC(C1)C2=O)C1=NNN=N1	REAL000000005396	1	43	0.0	-11.44	337.13	4.24	-7.20
CCCC(NC(=O)C(C(C)CC)N1C=CC=C1C=O)C1=NNN=N1	REAL000000005398	1	48	0.0	-11.95	368.98	5.68	-6.27
CCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL000000005399	0	52	0.0	-69.44	386.27	4.34	-65.10
CCCC(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=NNN=N1	REAL000000005400	1	35	0.0	-10.76	303.78	3.18	-7.59
CCCC(NC(=O)C1N(C(=O)OCC2=CC=CC=C2)CC1(C)C)C1=NNN=N1	REAL000000005401	1	54	0.0	-20.00	438.96	6.87	-13.13
CCCC(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=NNN=N1	REAL000000005402	1	43	0.0	-12.57	342.81	2.26	-10.31
CCCC(NC(=O)C1=CN2CCC(C)CC2=N1)C1=NNN=N1	REAL000000005403	1	43	0.0	-12.10	345.86	4.44	-7.66
CCCC(NC(=O)C=CC1=CC(C(F)(F)F)=CC=C1Cl)C1=NNN=N1	REAL000000005413	1	40	0.0	-11.15	365.54	6.29	-4.86
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL000000005414	0	55	0.0	-63.99	423.23	8.20	-55.80
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL000000005414	1	55	0.0	-64.06	423.41	8.19	-55.87
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL000000005414	1	55	0.0	-63.98	423.17	8.20	-55.79
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL000000005414	1	55	0.0	-64.06	423.35	8.19	-55.87
CCCC(NC(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=NNN=N1	REAL000000005415	1	45	0.0	-9.35	361.15	4.02	-5.32
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NO1)C1=NNN=N1	REAL000000005416	1	43	0.0	-12.16	365.94	3.95	-8.20
CCCC(NC(=O)CC1=CC=C2C=NC=CC2=C1)C1=NNN=N1	REAL000000005417	1	41	0.0	-14.93	343.36	4.80	-10.14
CCCC(NC(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=NNN=N1	REAL000000005418	1	47	0.0	-9.63	367.25	6.96	-2.67
CCCC(NC(=O)COCC1=CC=C(C#N)C=C1)C1=NNN=N1	REAL000000005419	1	41	0.0	-14.02	350.51	4.67	-9.35
CCCC(NC(=O)COCC1=CC=NC(OC)=C1)C1=NNN=N1	REAL000000005420	1	43	0.0	-17.79	363.92	1.42	-16.36
CCCC(NC(=O)COCC1=CC=C(OC)N=C1)C1=NNN=N1	REAL000000005421	1	43	0.0	-17.41	363.88	1.40	-16.00
CCCC(NC(=O)COCC1=CC(=O)NC=C1)C1=NNN=N1	REAL000000005422	1	40	0.0	-28.85	339.39	1.73	-27.12
CCCC(NC(=O)C1=CC=C2C=NC=C(Br)C2=N1)C1=NNN=N1	REAL000000005423	1	37	0.0	-11.98	336.70	3.01	-8.97
CCCC(NC(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000005424	1	36	0.0	-11.51	335.82	5.35	-6.16
CCCC(NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1)C1=NNN=N1	REAL000000005425	1	42	0.0	-9.76	363.48	5.14	-4.62
CCCC(NC(=O)C=CC1=CC=C(SC)S1)C1=NNN=N1	REAL000000005426	1	38	0.0	-7.57	337.83	4.79	-2.78
CCCC(NC(=O)C1=CC=C(NCCN2CCOCC2)C(F)=C1)C1=NNN=N1	REAL000000005427	1	54	0.0	-11.36	427.82	1.87	-9.50
CCCC(NC(=O)C1=CC=C2NC(=O)CC(C)NC2=C1)C1=NNN=N1	REAL000000005428	1	46	0.0	-14.22	370.99	1.72	-12.50
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)N=C1)C1=NNN=N1	REAL000000005429	1	49	0.0	-14.68	395.86	3.60	-11.08
CCCC(NC(=O)C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1)C1=NNN=N1	REAL000000005430	1	39	0.0	-9.44	368.28	5.64	-3.80
CCCC(NC(=O)C1=C(Br)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000005431	1	36	0.0	-10.52	327.46	4.68	-5.84
CCCC(NC(=O)C1=CN=CC(N2CCCC2)=N1)C1=NNN=N1	REAL000000005432	1	43	0.0	-9.22	349.33	1.65	-7.57
CCCC(NC(=O)C1=NN(C)C=C1I)C1=NNN=N1	REAL000000005433	1	33	0.0	-12.16	308.48	2.55	-9.61
CCCC(NC(=O)C1=NN2C(=C1)N=C(C)C=C2C(F)(F)F)C1=NNN=N1	REAL000000005434	1	41	0.0	-12.37	357.63	3.62	-8.75
CCCC(NC(=O)COC1=CC=C(Br)C=N1)C1=NNN=N1	REAL000000005435	1	36	0.0	-11.70	330.10	2.24	-9.46
CCCC(NC(=O)C1=CC2=NC=CC=C2S1)C1=NNN=N1	REAL000000005436	1	35	0.0	-13.46	311.73	3.17	-10.29
CCCC(NC(=O)C1CCCN2C=C(C(F)(F)F)N=C12)C1=NNN=N1	REAL000000005437	1	43	0.0	-12.27	362.27	5.05	-7.23
CCCC(NC(=O)CC1=C2C=CC=CC2=CC(Cl)=C1)C1=NNN=N1	REAL000000005438	1	42	0.0	-12.49	361.72	6.95	-5.55
CCCC(NC(=O)CC1=C(C2=CC=C(OC)C=C2)N=C(C)S1)C1=NNN=N1	REAL000000005439	1	49	0.0	-14.91	409.71	4.76	-10.15
CCCC(NC(=O)C1=CC=C(C)C(N2CCOCC2)=C1)C1=NNN=N1	REAL000000005440	1	49	0.0	-13.09	385.43	3.90	-9.19
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=NNN=N1	REAL000000005441	1	33	0.0	-11.47	315.18	4.75	-6.72
CCCC(NC(=O)C1=CC=NN1CC1CCC1)C1=NNN=N1	REAL000000005442	1	43	0.0	-9.90	342.94	4.29	-5.61
CCCC(NC(=O)C1=CC2=CC=C(OC)C=C2S1)C1=NNN=N1	REAL000000005443	1	40	0.0	-10.97	346.27	4.37	-6.60
CCCC(NC(=O)CC1=COC2=C(C)C(OC)=CC=C12)C1=NNN=N1	REAL000000005444	1	46	0.0	-16.25	379.66	4.75	-11.49
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1C)C1=NNN=N1	REAL000000005445	1	47	0.0	-10.58	384.07	7.27	-3.31
CCCC(NC(=O)CC1=CSC(COC2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000005446	1	46	0.0	-18.50	397.66	4.81	-13.68
CCCC(NC(=O)C1=CN=C2C(Cl)=CC=CC2=C1C)C1=NNN=N1	REAL000000005447	1	41	0.0	-12.06	347.58	5.20	-6.86
CCCC(NC(=O)C1=CC=C(C)C(C2=CN(C)N=C2)=C1)C1=NNN=N1	REAL000000005448	1	46	0.0	-11.27	369.47	5.14	-6.13
CCCC(NC(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=NNN=N1	REAL000000005449	1	44	0.0	-9.51	369.05	4.94	-4.57
CCCC(NC(=O)C=CC1=C2C=CC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000005450	1	43	0.0	-9.67	353.83	6.70	-2.97
CCCC(NC(=O)C1=CC(Br)=CN=C1F)C1=NNN=N1	REAL000000005451	1	32	0.0	-12.59	298.61	2.46	-10.13
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005452	1	53	0.0	-17.93	415.05	4.41	-13.52
CCCC(NC(=O)C1=CC=C(N2CC(C)OC(C)C2)C=C1)C1=NNN=N1	REAL000000005453	1	52	0.0	-11.76	403.90	4.00	-7.76
CCCC(NC(=O)C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000005454	1	35	0.0	-6.56	331.72	4.51	-2.05
CCCC(NC(=O)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)C1=NNN=N1	REAL000000005455	1	45	0.0	-16.23	375.96	4.66	-11.57
CCCC(NC(=O)C1=C(C)N=C2C(Cl)=CC=CC2=C1)C1=NNN=N1	REAL000000005456	1	41	0.0	-14.95	351.32	5.29	-9.66
CCCC(NC(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=NNN=N1	REAL000000005457	1	42	0.0	-11.78	337.67	2.32	-9.46
CCCC(NC(=O)C1=CC=CC(C(F)F)=C1F)C1=NNN=N1	REAL000000005458	1	36	0.0	-21.05	315.27	4.64	-16.42
CCCC(NC(=O)C1CC1(C)Br)C1=NNN=N1	REAL000000005459	1	33	0.0	-7.98	290.62	3.43	-4.55
CCCC(NC(=O)C1=CN(CC2CCOC2)N=N1)C1=NNN=N1	REAL000000005460	1	43	0.0	-14.34	354.21	0.94	-13.40
CCCC(NC(=O)C1CC(C2=CC=CC(Cl)=C2F)=NO1)C1=NNN=N1	REAL000000005461	1	41	0.0	-25.66	366.50	5.60	-20.06
CCCC(NC(=O)C1=CC(F)=C(Br)C=C1F)C1=NNN=N1	REAL000000005462	1	33	0.0	-7.46	302.08	4.07	-3.39
CCCC(NC(=O)CCC1=NN=C(C(F)F)O1)C1=NNN=N1	REAL000000005463	1	37	0.0	-13.54	329.00	-1.68	-15.22
CCCC(NC(=O)C1CCC1C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000005464	1	43	0.0	-10.09	342.56	5.95	-4.14
CCCC(NC(=O)CC1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NNN=N1	REAL000000005465	1	56	0.0	-13.86	451.13	9.63	-4.24
CCCC(NC(=O)C1=C2CCCCN2C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005466	1	43	0.0	-10.34	360.36	4.60	-5.75
CCCC(NC(=O)CC1=C(CC)OC2=CC=CC=C21)C1=NNN=N1	REAL000000005467	1	45	0.0	-14.76	368.99	6.20	-8.56
CCCC(NC(=O)C=CSC1=CC=CC=C1)C1=NNN=N1	REAL000000005468	1	38	0.0	-7.92	330.58	5.07	-2.85
CCCC(NC(=O)C1=C(C)N(C2=CN=CC=N2)C(C)=C1)C1=NNN=N1	REAL000000005469	1	45	0.0	-11.84	361.65	4.46	-7.37
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000005471	1	50	0.0	-9.34	408.85	2.95	-6.39
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1C)C1=NNN=N1	REAL000000005472	1	47	0.0	-11.60	374.24	2.97	-8.63
CCCC(NC(=O)C1=CC(C2=CC(OC)=CC=C2Cl)=NO1)C1=NNN=N1	REAL000000005473	1	43	0.0	-11.33	378.34	4.62	-6.71
CCCC(NC(=O)C1=CC=NC(Cl)=C1Cl)C1=NNN=N1	REAL000000005474	1	32	0.0	-13.83	300.96	2.79	-11.04
CCCC(NC(=O)CC(O)C(Cl)(Cl)Cl)C1=NNN=N1	REAL000000005475	1	33	0.0	-10.35	317.11	1.47	-8.88
CCCC(NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000005477	1	35	0.0	-9.93	319.38	4.53	-5.41
CCCC(NC(=O)CC1(O)CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005478	1	57	0.0	-13.60	422.84	2.88	-10.73
CCCC(NC(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005479	1	39	0.0	-9.08	324.88	4.85	-4.23
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CS1)C1=NNN=N1	REAL000000005480	1	44	0.0	-12.46	382.13	5.94	-6.53
CCCC(NC(=O)CCC1=CC=CC(OCC)=C1)C1=NNN=N1	REAL000000005481	1	46	0.0	-8.84	367.89	5.04	-3.79
CCCC(NC(=O)C(C)N(CC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005482	1	52	0.0	-11.36	398.58	4.54	-6.83
CCCC(NC(=O)C1CCN2C=C(C)N=C2C1)C1=NNN=N1	REAL000000005483	1	43	0.0	-13.12	344.50	4.42	-8.70
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(F)=C1C)C1=NNN=N1	REAL000000005484	1	41	0.0	-12.53	345.97	-1.00	-13.53
CCCC(NC(=O)CC1=C2CCCCN2N=C1)C1=NNN=N1	REAL000000005485	1	43	0.0	-15.14	346.10	3.75	-11.39
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2F)=NO1)C1=NNN=N1	REAL000000005487	1	39	0.0	-10.82	355.83	5.12	-5.70
CCCC(NC(=O)C1=CC=C(C=CC(=O)OC)C=C1)C1=NNN=N1	REAL000000005488	1	43	0.0	-11.24	357.47	5.24	-6.00
CCCC(NC(=O)CC1CC2=CC=CC=C2O1)C1=NNN=N1	REAL000000005489	1	41	0.0	-12.13	330.10	4.14	-7.99
CCCC(NC(=O)C1=CC=C(Br)C(SC)=C1)C1=NNN=N1	REAL000000005490	1	37	0.0	-11.03	337.08	5.22	-5.81
CCCC(NC(=O)C1=CN(CC(=O)OC(C)(C)C)N=N1)C1=NNN=N1	REAL000000005491	1	47	0.0	-17.27	388.58	3.01	-14.26
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005492	1	51	0.0	-13.53	404.71	6.75	-6.78
CCCC(NC(=O)C=CC1=CC=CC=C1OCC1=CC=CC=C1)C1=NNN=N1	REAL000000005494	1	51	0.0	-14.99	422.38	8.20	-6.78
CCCC(NC(=O)C=CC1=CC(C)=C(C)C=C1C)C1=NNN=N1	REAL000000005495	1	46	0.0	-10.83	368.86	6.63	-4.19
CCCC(NC(=O)C=CC1=CSC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005496	1	37	0.0	-11.53	342.89	4.99	-6.54
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=C1Cl)C1=NNN=N1	REAL000000005497	1	50	0.0	-10.75	405.14	4.10	-6.65
CCCC(NC(=O)CC1=CSC(CCC(F)(F)F)=N1)C1=NNN=N1	REAL000000005498	1	41	0.0	-13.46	370.08	3.91	-9.55
CCCC(NC(=O)C1C2CC3=CC(Br)=CC=C3C21)C1=NNN=N1	REAL000000005499	1	41	0.0	-10.94	350.18	6.71	-4.22
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000005500	1	40	0.0	-11.02	347.04	6.07	-4.96
CCCC(NC(=O)C(C)N1C=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005501	1	39	0.0	-14.86	342.42	3.23	-11.63
CCCC(NC(=O)C(C)OCC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000005502	1	46	0.0	-14.52	378.02	6.09	-8.43
CCCC(NC(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000005503	1	40	0.0	-14.86	345.80	5.68	-9.18
CCCC(NC(=O)C=CC1=CC=C2NC=CC2=C1)C1=NNN=N1	REAL000000005504	1	41	0.0	-13.92	343.59	4.88	-9.04
CCCC(NC(=O)C=CC1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005505	1	57	0.0	-10.97	435.00	5.60	-5.37
CCCC(NC(=O)C=CC1=CC(C(=O)OC)=CO1)C1=NNN=N1	REAL000000005506	1	40	0.0	-12.14	344.45	3.42	-8.72
CCCC(NC(=O)C1=CN(CC2CCCC2)N=C1)C1=NNN=N1	REAL000000005507	1	46	0.0	-11.72	369.41	4.94	-6.78
CCCC(NC(=O)C1=C(C)N(CCOC)N=C1)C1=NNN=N1	REAL000000005508	1	43	0.0	-11.55	353.79	1.80	-9.75
CCCC(NC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)C2)C1)C1=NNN=N1	REAL000000005509	1	55	0.0	-12.91	436.74	3.24	-9.67
CCCC(NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=NNN=N1	REAL000000005510	1	46	0.0	-6.83	353.15	6.20	-0.63
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1C)C1=NNN=N1	REAL000000005511	1	43	0.0	-8.49	336.00	4.07	-4.42
CCCC(NC(=O)CCC1=CC=C(F)C2=C1CCCC2)C1=NNN=N1	REAL000000005512	1	49	0.0	-10.54	385.34	7.44	-3.10
CCCC(NC(=O)C1=C(C)C=C(CNC(=O)OC(C)(C)C)O1)C1=NNN=N1	REAL000000005513	1	53	0.0	-11.32	428.26	2.96	-8.35
CCCC(NC(=O)C1=CN=C(CNC(=O)OC(C)(C)C)N=C1)C1=NNN=N1	REAL000000005514	1	51	0.0	-13.37	415.99	1.28	-12.09
CCCC(NC(=O)CC1=COC2=CC(Cl)=CC=C12)C1=NNN=N1	REAL000000005515	1	39	0.0	-14.07	346.91	5.22	-8.86
CCCC(NC(=O)C1=CC2=C(CC)C=CC=C2N1)C1=NNN=N1	REAL000000005516	1	43	0.0	-11.36	353.91	4.99	-6.37
CCCC(NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=NNN=N1	REAL000000005517	1	38	0.0	-11.16	305.13	2.46	-8.70
CCCC(NC(=O)CCC1=C2C=CC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000005518	1	45	0.0	-11.53	371.78	7.28	-4.25
CCCC(NC(=O)CC1(C(=O)OCC)CCOCC1)C1=NNN=N1	REAL000000005519	1	49	0.0	-13.36	374.31	3.71	-9.65
CCCC(NC(=O)C1=CC(O)=CC(Br)=C1)C1=NNN=N1	REAL000000005520	1	34	0.0	-10.55	310.04	1.42	-9.13
CCCC(NC(=O)C(CC)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000005521	1	42	0.0	-7.76	351.92	5.84	-1.92
CCCC(NC(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=NNN=N1	REAL000000005522	1	41	0.0	-11.02	345.62	6.62	-4.40
CCCC(NC(=O)CCCC1=CC=C2OCCCOC2=C1)C1=NNN=N1	REAL000000005523	1	51	0.0	-15.48	408.08	5.86	-9.62
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2C)=C1)C1=NNN=N1	REAL000000005524	1	49	0.0	-12.20	398.27	5.20	-7.00
CCCC(NC(=O)C1CC2=CC=C(Cl)C=C21)C1=NNN=N1	REAL000000005525	1	37	0.0	-9.63	324.16	5.40	-4.23
CCCC(NC(=O)C1=CC=C(C2CCOCC2)C=C1)C1=NNN=N1	REAL000000005526	1	47	0.0	-11.21	370.24	5.07	-6.14
CCCC(NC(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=NNN=N1	REAL000000005527	1	42	0.0	-13.73	347.21	-0.43	-14.16
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1F)C1=NNN=N1	REAL000000005528	1	36	0.0	-14.42	324.27	5.01	-9.41
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)C1=NNN=N1	REAL000000005529	1	43	0.0	-15.70	370.90	4.95	-10.76
CCCC(NC(=O)C1=CSC(N(C)C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000005530	1	44	0.0	-9.99	382.15	5.99	-4.00
CCCC(NC(=O)C=CC1=CC=C(OC)C(O)=C1)C1=NNN=N1	REAL000000005531	1	42	0.0	-14.52	352.42	2.02	-12.50
CCCC(NC(=O)C=CC1=C(C(F)(F)F)SC=C1)C1=NNN=N1	REAL000000005532	1	37	0.0	-13.94	337.94	4.83	-9.12
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC)S1)C1=NNN=N1	REAL000000005543	1	44	0.0	-11.69	379.76	5.90	-5.79
CCCC(NC(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=NNN=N1	REAL000000005544	1	48	0.0	-7.09	367.01	6.35	-0.74
CCCC(NC(=O)CC1CCOCC1OCC)C1=NNN=N1	REAL000000005545	1	47	0.0	-10.17	365.66	2.61	-7.55
CCCC(NC(=O)C1=C(C)N(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1=NNN=N1	REAL000000005546	1	46	0.0	-9.27	386.81	5.92	-3.35
CCCC(NC(=O)C=CCOC1CCOCC1)C1=NNN=N1	REAL000000005547	1	45	0.0	-13.55	364.22	2.27	-11.29
CCCC(NC(=O)C=CC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NNN=N1	REAL000000005548	1	49	0.0	-22.65	408.56	3.37	-19.28
CCCC(NC(=O)C=CC1=CC=C(Cl)N=C1)C1=NNN=N1	REAL000000005549	1	36	0.0	-12.26	324.01	3.50	-8.76
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)O1)C1=NNN=N1	REAL000000005550	1	40	0.0	-10.21	345.97	3.56	-6.66
CCCC(NC(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=NNN=N1	REAL000000005551	1	43	0.0	-12.71	350.53	4.63	-8.07
CCCC(NC(=O)CN1N=C(C)C=C1C(F)F)C1=NNN=N1	REAL000000005552	1	39	0.0	-12.84	328.04	2.62	-10.22
CCCC(NC(=O)CN1CCCCC(=O)C1=O)C1=NNN=N1	REAL000000005564	1	42	0.0	-15.36	339.33	2.52	-12.84
CCCC(NC(=O)C1CC2CCCCC(C1)C2=O)C1=NNN=N1	REAL000000005565	1	48	0.0	-11.29	353.13	5.14	-6.15
CCCC(NC(=O)C1=C2N[C@H](C)C[C@H](C(F)(F)F)N2N=C1)C1=NNN=N1	REAL000000005566	1	45	0.0	-11.01	369.25	2.76	-8.25
CCCC(NC(=O)C(CO)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005567	1	47	0.0	-12.66	377.20	-1.92	-14.57
CCCC(NC(=O)CC1=NC(F)=C(F)C=C1F)C1=NNN=N1	REAL000000005568	1	35	0.0	-12.22	315.41	2.50	-9.72
C=CC(=O)NC1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000005569	1	41	0.0	-17.22	339.05	2.77	-14.44
CCCC(NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=NNN=N1	REAL000000005570	1	44	0.0	-18.73	358.28	0.33	-18.40
CCCC(NC(=O)CC1=CSC2=C1C=C(CC)S2)C1=NNN=N1	REAL000000005571	1	42	0.0	-12.89	373.33	6.36	-6.53
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=N1)C1=NNN=N1	REAL000000005572	1	34	0.0	-9.10	309.96	2.75	-6.35
CCCC(NC(=O)C1C2CC3=CC=C(Br)C=C3C21)C1=NNN=N1	REAL000000005573	1	41	0.0	-7.94	343.01	6.39	-1.55
CCCC(NC(=O)CC1=COC2=C(Cl)C(Cl)=CC=C12)C1=NNN=N1	REAL000000005574	1	39	0.0	-15.18	362.06	5.67	-9.51
CCCC(NC(=O)CCCOC1CCOCC1)C1=NNN=N1	REAL000000005575	1	47	0.0	-10.66	365.28	2.13	-8.53
CCCC(NC(=O)C1=COC2=C1C(=O)NCC(C)(C)C2)C1=NNN=N1	REAL000000005576	1	47	0.0	-22.53	376.10	2.59	-19.94
CCCC(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C1=NNN=N1	REAL000000005577	1	51	0.0	-15.50	417.07	2.85	-12.65
CCCC(NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005578	1	56	0.0	-12.84	424.72	4.24	-8.60
CCCC(NC(=O)CCC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NNN=N1	REAL000000005579	1	51	0.0	-23.00	420.37	3.65	-19.34
CCCC(NC(=O)C1=CN(CC)N=C1C1CC1)C1=NNN=N1	REAL000000005580	1	43	0.0	-11.36	346.73	4.11	-7.24
CCCC(NC(=O)CC1=CSC2=C1C=C(C)S2)C1=NNN=N1	REAL000000005581	1	39	0.0	-13.16	351.84	5.57	-7.59
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005582	1	50	0.0	-16.77	394.54	2.36	-14.41
CCCC(NC(=O)CC1=CC=C(C(=O)OC)N=C1)C1=NNN=N1	REAL000000005603	1	41	0.0	-17.80	352.96	3.17	-14.63
CCCC(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=NN=N[N-]1	REAL000000005607	0	56	0.0	-66.00	436.41	3.26	-62.75
CCCC(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=N[N-]N=N1	REAL000000005607	1	56	0.0	-66.01	436.35	3.25	-62.76
CCCC(NC(=O)C1=C(Br)N(C(C)C)N=C1)C1=NNN=N1	REAL000000005609	1	39	0.0	-11.12	342.23	3.40	-7.72
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000005610	1	44	0.0	-8.32	358.52	5.33	-2.99
CCCC(NC(=O)CCC1C(C)NC2=CC=NN2C1C)C1=NNN=N1	REAL000000005611	1	51	0.0	-15.16	391.39	3.74	-11.43
CCCC(NC(=O)C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1)C1=NNN=N1	REAL000000005612	1	39	0.0	-13.20	367.28	5.78	-7.42
CCCC(NC(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=NNN=N1	REAL000000005623	1	43	0.0	-25.96	358.61	2.05	-23.91
CCCC(NC(=O)C1=NC(C(C)(C)C)=CS1)C1=NNN=N1	REAL000000005624	1	41	0.0	-13.51	345.65	3.31	-10.20
CCCC(NC(=O)CC1=CC=C(Br)C=C1Cl)C1=NNN=N1	REAL000000005625	1	36	0.0	-10.48	337.89	5.37	-5.10
CCCC(NC(=O)C1=CC2=C(C3CC3)C=CC=C2N1)C1=NNN=N1	REAL000000005626	1	44	0.0	-11.71	360.33	5.66	-6.05
CCCC(NC(=O)CC1=C(C)NC(=O)NC1=O)C1=NNN=N1	REAL000000005627	1	39	0.0	-22.36	328.19	-1.01	-23.37
CCCC(NC(=O)CC1C(=O)NC2=CC=C(F)C=C21)C1=NNN=N1	REAL000000005628	1	41	0.0	-15.31	346.01	4.05	-11.26
CCCC(NC(=O)C1=CN(CC(O)CC)N=N1)C1=NNN=N1	REAL000000005630	1	42	0.0	-14.95	353.49	-0.91	-15.86
CCCC(NC(=O)C(=O)C1=CNC2=CC(F)=CC=C12)C1=NNN=N1	REAL000000005631	1	39	0.0	-10.48	337.18	3.60	-6.88
CCCC(NC(=O)C1=CC(S(=O)(=O)CC#N)=CC=C1F)C1=NNN=N1	REAL000000005632	1	40	0.0	-26.60	363.73	1.92	-24.68
CCCC(NC(=O)CCCC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000005643	1	44	0.0	-19.90	365.48	5.75	-14.15
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2NC1=O)C1=NNN=N1	REAL000000005644	1	39	0.0	-13.10	333.41	3.06	-10.04
CCCC(NC(=O)C1=CC=C(CN2CCOCC2)O1)C1=NNN=N1	REAL000000005645	1	46	0.0	-10.98	371.86	0.97	-10.00
CCCC(NC(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=NNN=N1	REAL000000005646	1	41	0.0	-26.44	352.36	-2.02	-28.46
CCCC(NC(=O)C1=CC=C(OC2=CC(C)=CC=N2)C=C1)C1=NNN=N1	REAL000000005647	1	46	0.0	-13.58	385.61	4.70	-8.87
CCCC(NC(=O)C1=CSC(C2=NC=CN2)=N1)C1=NNN=N1	REAL000000005648	1	36	0.0	-15.61	326.76	1.20	-14.41
CCCC(NC(=O)CC1=CSC(SC(C)C(N)=O)=N1)C1=NNN=N1	REAL000000005649	1	43	0.0	-24.24	380.24	-0.28	-24.52
CCCC(NC(=O)C1COC(CCC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005650	1	55	0.0	-12.39	428.86	5.05	-7.34
CCCC(NC(=O)[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000005651	1	51	0.0	-20.69	398.38	4.96	-15.73
CCCC(NC(=O)C(CCOC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005652	1	53	0.0	-8.34	406.45	0.64	-7.70
CCCC(NC(=O)CCCN1C=CC(C(=O)OC)=N1)C1=NNN=N1	REAL000000005673	1	45	0.0	-22.91	382.21	3.82	-19.09
CCCCC1=NC(C)=C(CC(=O)NC(CCC)C2=NNN=N2)S1	REAL000000005674	1	47	0.0	-13.29	393.09	5.17	-8.12
CCCC(NC(=O)CC1=C(C)N=C(C2CCC2)S1)C1=NNN=N1	REAL000000005675	1	45	0.0	-13.17	376.49	4.99	-8.18
CCCC(NC(=O)CC1=C(C)N=C(C2=NN(C)C=C2)S1)C1=NNN=N1	REAL000000005676	1	45	0.0	-16.54	384.56	3.26	-13.29
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1N)C1=NNN=N1	REAL000000005677	1	38	0.0	-9.29	326.74	2.87	-6.42
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1N)C1=NNN=N1	REAL000000005678	1	37	0.0	-11.60	316.23	2.54	-9.06
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1N)C1=NNN=N1	REAL000000005679	1	41	0.0	-17.00	348.70	-0.59	-17.59
C=CC(=O)NC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000005680	1	41	0.0	-18.42	346.11	3.11	-15.31
CCCC(NC(=O)C1=CC=C(Br)C=C1N)C1=NNN=N1	REAL000000005681	1	35	0.0	-8.77	309.36	2.50	-6.27
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)C=C1O)C1=NNN=N1	REAL000000005682	1	42	0.0	-13.66	347.26	4.98	-8.68
CCCC(NC(=O)C1=CC=C(I)C=C1N)C1=NNN=N1	REAL000000005683	1	35	0.0	-8.56	315.85	2.97	-5.59
CCCC(NC(=O)C1=CC=C(S(=O)(=O)CC)C=C1N)C1=NNN=N1	REAL000000005684	1	44	0.0	-16.23	370.17	0.31	-15.92
CCCC(NC(=O)C1=CC=C(CN=[N+]=[N-])C=C1)C1=NNN=N1	REAL000000005685	1	38	0.0	-11.58	329.22	0.95	-10.63
CCCC(NC(=O)C1=CC=CC=C1CCC(=O)OC)C1=NNN=N1	REAL000000005686	1	45	0.0	-13.11	367.47	5.86	-7.25
CCCC(NC(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=NNN=N1	REAL000000005687	1	44	0.0	-16.02	361.04	3.18	-12.85
CCCC(NC(=O)C1=CN=C(C(C)C)N=C1C)C1=NNN=N1	REAL000000005688	1	43	0.0	-10.29	347.49	3.52	-6.77
CCCC(NC(=O)CC1=CSC(SC(CC)C(N)=O)=N1)C1=NNN=N1	REAL000000005689	1	46	0.0	-19.60	396.74	0.30	-19.31
CCCC(NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=NNN=N1	REAL000000005690	1	43	0.0	-19.79	334.87	0.95	-18.84
CCCC(NC(=O)C1=CC=C2C(=O)NC=NC2=C1)C1=NNN=N1	REAL000000005691	1	38	0.0	-17.53	323.50	2.62	-14.91
CCCC(NC(=O)CC1=CC=CC=C1N1CCCC1=O)C1=NNN=N1	REAL000000005692	1	47	0.0	-15.54	383.02	5.89	-9.65
CCCC(NC(=O)C1CCC2=NN=CN2CC1)C1=NNN=N1	REAL000000005693	1	42	0.0	-17.13	324.88	4.90	-12.24
CCCC(NC(=O)C1CCCN(C2=NC3=CC=CC=C3S2)C1)C1=NNN=N1	REAL000000005694	1	50	0.0	-10.10	401.12	5.21	-4.89
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2OC)NC1=O)C1=NNN=N1	REAL000000005695	1	47	0.0	-13.99	382.40	3.56	-10.42
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C)C=N2)C=C1)C1=NNN=N1	REAL000000005696	1	46	0.0	-13.52	385.76	4.68	-8.83
CCCC(NC(=O)CN(C(C)=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000005697	1	43	0.0	-15.19	340.86	3.90	-11.29
CCCC(NC(=O)C1=CN=C(NCC)C(Cl)=C1)C1=NNN=N1	REAL000000005698	1	40	0.0	-10.64	345.40	3.23	-7.41
CCCC(NC(=O)C1=C(Br)C=NN1)C1=NNN=N1	REAL000000005699	1	30	0.0	-10.78	278.68	0.75	-10.02
CCCC(NC(=O)C1=CC=CC2=NSN=C21)C1=NNN=N1	REAL000000005700	1	34	0.0	-14.59	294.78	1.79	-12.81
CCCC(NC(=O)C1=COC2=CC(O)=CC=C12)C1=NNN=N1	REAL000000005701	1	37	0.0	-15.49	317.43	1.13	-14.36
CCCC(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=NN=N[N-]1	REAL000000005703	0	47	0.0	-77.98	404.00	4.70	-73.28
CCCC(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=N[N-]N=N1	REAL000000005703	1	47	0.0	-77.98	403.94	4.69	-73.29
CCCC(NC(=O)CC1=CSC(NCCOC)=N1)C1=NNN=N1	REAL000000005704	1	44	0.0	-16.81	377.81	1.32	-15.48
CCCC(NC(=O)COC1=CC(Cl)=CC=C1C)C1=NNN=N1	REAL000000005705	1	40	0.0	-9.53	340.89	5.03	-4.50
CCCC(NC(=O)C1=NC(C)=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000005706	1	37	0.0	-10.14	325.70	2.49	-7.65
CCCC(NC(=O)C1=C(C(F)F)C=CS1)C1=NNN=N1	REAL000000005707	1	33	0.0	-11.51	297.46	3.56	-7.96
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005708	1	43	0.0	-12.44	369.00	6.67	-5.77
CCCC(NC(=O)C1=CSC(NC2CCCCC2)=N1)C1=NNN=N1	REAL000000005709	1	47	0.0	-7.09	378.81	3.84	-3.25
CCCC(NC(=O)CN1CCCCS1(=O)=O)C1=NNN=N1	REAL000000005710	1	41	0.0	-22.59	339.84	0.04	-22.56
CCCC(NC(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1=NNN=N1	REAL000000005711	1	37	0.0	-8.95	325.70	3.47	-5.48
CCCC(NC(=O)C1=C(C)C=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000005712	1	41	0.0	-10.56	337.13	4.77	-5.80
CCCC(NC(=O)C1=CC=C(OC(F)F)C(Br)=C1)C1=NNN=N1	REAL000000005713	1	37	0.0	-8.89	330.09	3.58	-5.30
CCCC(NC(=O)C1CCOC2=C(F)C=CC=C21)C1=NNN=N1	REAL000000005714	1	41	0.0	-13.32	335.91	4.33	-8.99
CCCC(NC(=O)C1CCC(S(C)(=O)=O)CC1)C1=NNN=N1	REAL000000005715	1	45	0.0	-21.04	362.71	1.25	-19.78
CCCC(NC(=O)C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1)C1=NNN=N1	REAL000000005716	1	45	0.0	-11.21	388.25	6.38	-4.84
CCCC(NC(=O)CN1N=CC2=CC=CN=C21)C1=NNN=N1	REAL000000005717	1	38	0.0	-18.07	325.94	3.11	-14.96
CCCC(NC(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=NNN=N1	REAL000000005718	1	43	0.0	-13.08	362.30	4.22	-8.86
CCCC(NC(=O)C1=CC=C(C2=CC=CC(F)=C2)S1)C1=NNN=N1	REAL000000005719	1	40	0.0	-11.18	354.26	6.40	-4.78
CCCC(NC(=O)C(CC)CC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000005720	1	48	0.0	-6.89	360.26	6.22	-0.67
CCCC(NC(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=NNN=N1	REAL000000005721	1	46	0.0	-13.65	358.10	4.80	-8.85
CCCC(NC(=O)CCC1=CN=C(NC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000005722	1	52	0.0	-16.62	432.60	4.15	-12.47
CCCC(NC(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)C2)C1=NNN=N1	REAL000000005723	1	54	0.0	-13.77	427.27	3.62	-10.14
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000005724	1	56	0.0	-9.80	417.67	3.03	-6.78
CCCC(NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000005725	1	56	0.0	-12.57	424.73	4.24	-8.33
CCCC(NC(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)C1=NNN=N1	REAL000000005726	1	50	0.0	-17.67	406.58	2.64	-15.03
CCCC(NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)C1=NNN=N1	REAL000000005727	1	57	0.0	-17.42	431.96	5.38	-12.04
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2OC1)C1=NNN=N1	REAL000000005728	1	42	0.0	-11.60	344.99	4.84	-6.76
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000005729	1	45	0.0	-11.62	363.65	3.77	-7.85
CCCC(NC(=O)C=CC1=CC=C(SC(F)F)C=C1)C1=NNN=N1	REAL000000005730	1	41	0.0	-12.16	361.84	6.11	-6.05
CCCC(NC(=O)C=CC1=CC=C(I)O1)C1=NNN=N1	REAL000000005731	1	34	0.0	-7.11	315.92	3.91	-3.20
CCCC(NC(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1)C1=NNN=N1	REAL000000005732	1	46	0.0	-17.54	376.20	4.27	-13.26
CCCC(NC(=O)C(O)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000005743	1	40	0.0	-12.70	348.68	3.38	-9.32
CCCC(NC(=O)C1CC(=O)N(OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000005744	1	48	0.0	-18.82	400.29	5.39	-13.43
CCCC(NC(=O)C1=C(Br)N(CC)N=C1)C1=NNN=N1	REAL000000005745	1	36	0.0	-8.45	314.85	2.38	-6.06
CCCC(NC(=O)CC1=CSC(C2CC2)=N1)C1=NNN=N1	REAL000000005746	1	39	0.0	-12.89	338.85	3.52	-9.37
CCCC(NC(=O)C1=C(C)N(CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000005747	1	47	0.0	-12.56	383.54	7.59	-4.98
C=CCNS(=O)(=O)C1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)S1	REAL000000005748	1	45	0.0	-15.74	398.02	0.73	-15.01
CCCC(NC(=O)CCC1CCC2=CC=CC=C21)C1=NNN=N1	REAL000000005749	1	46	0.0	-8.24	357.18	6.47	-1.77
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=N1)C1=NNN=N1	REAL000000005750	1	35	0.0	-10.70	313.99	2.94	-7.77
CCCC(NC(=O)C1=CN(C2CCOCC2)N=C1C)C1=NNN=N1	REAL000000005751	1	47	0.0	-10.13	366.24	2.52	-7.61
CCCC(NC(=O)CC(C)(C)CC(F)(F)F)C1=NNN=N1	REAL000000005752	1	41	0.0	-11.74	323.87	4.02	-7.71
CCCC(NC(=O)C1=CC(S(=O)(=O)F)=CN1)C1=NNN=N1	REAL000000005773	1	34	0.0	-20.42	312.86	-1.41	-21.83
CCCC(NC(=O)CCCN(C)C(=O)OCC)C1=NNN=N1	REAL000000005774	1	46	0.0	-17.93	376.98	3.41	-14.52
CCCC(NC(=O)CC1CCC2(CCC2)CO1)C1=NNN=N1	REAL000000005775	1	47	0.0	-11.83	362.26	5.01	-6.82
CCCC(NC(=O)CC1CCC2(CCOCC2)CO1)C1=NNN=N1	REAL000000005776	1	51	0.0	-9.12	372.28	3.23	-5.89
CCCC(NC(=O)CC1=C(C)C=C(C)C(Br)=C1C)C1=NNN=N1	REAL000000005777	1	45	0.0	-11.69	372.73	6.46	-5.23
CCCC(NC(=O)C1=CSC=C1C(F)F)C1=NNN=N1	REAL000000005778	1	33	0.0	-15.58	296.88	3.54	-12.04
CCCC(NC(=O)CCCC1=CC=C(OC)C(OC)=C1)C1=NNN=N1	REAL000000005779	1	50	0.0	-16.42	404.00	5.15	-11.27
CCCC(NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=NNN=N1	REAL000000005780	1	40	0.0	-10.12	340.31	5.73	-4.38
CCCC(NC(=O)CCCC1=CC=C(OCC)C(OCC)=C1)C1=NNN=N1	REAL000000005781	1	56	0.0	-16.40	447.71	6.99	-9.41
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC=N2)C1=NNN=N1	REAL000000005782	1	38	0.0	-20.10	322.00	3.92	-16.19
CCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL000000005783	0	47	0.0	-67.99	375.19	6.40	-61.59
CCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL000000005783	1	47	0.0	-68.00	375.14	6.40	-61.60
CCCC(NC(=O)C1=CNC2=CC(=O)C=CC2=C1)C1=NNN=N1	REAL000000005784	1	39	0.0	-26.68	328.87	3.44	-23.24
CCCC(NC(=O)C1=CN(C2CN(C(=O)OC(C)(C)C)C2)N=N1)C1=NNN=N1	REAL000000005785	1	53	0.0	-14.18	424.28	1.93	-12.25
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)C=C2)C=C1)C1=NNN=N1	REAL000000005787	1	45	0.0	-13.66	367.80	6.48	-7.18
CCCC(NC(=O)CCCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000005788	1	42	0.0	-12.34	366.55	6.53	-5.81
CCCC(NC(=O)C1=NN(C2=CC(F)=CC(F)=C2)C=C1)C1=NNN=N1	REAL000000005789	1	40	0.0	-11.21	351.93	4.96	-6.25
CCCC(NC(=O)CCCCC1=CC=CC=C1)C1=NNN=N1	REAL000000005790	1	45	0.0	-10.83	366.75	6.70	-4.13
CCCC(NC(=O)C1=NN2CCCC2=C1Br)C1=NNN=N1	REAL000000005791	1	37	0.0	-14.06	326.38	2.91	-11.15
CCCC(NC(=O)CC1=CNC2=NC=CC(Cl)=C12)C1=NNN=N1	REAL000000005792	1	39	0.0	-16.07	342.12	4.01	-12.06
CCCC(NC(=O)C1=CSC(C(=O)OC)=N1)C1=NNN=N1	REAL000000005794	1	35	0.0	-11.59	315.09	1.10	-10.48
CCCC(NC(=O)CC1=COC2=C(C)C(Cl)=CC=C12)C1=NNN=N1	REAL000000005795	1	42	0.0	-14.17	365.60	5.80	-8.37
CCCC(NC(=O)C1=C(N)C([N+](=O)[O-])=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000005796	1	43	0.0	-16.82	362.46	5.07	-11.75
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=N[N-]N=N1	REAL000000005797	0	45	0.0	-67.54	364.41	4.98	-62.56
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=NN=N[N-]1	REAL000000005797	1	45	0.0	-67.55	364.46	4.99	-62.56
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL000000005798	0	53	0.0	-65.23	424.08	5.91	-59.31
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL000000005798	1	53	0.0	-65.21	424.02	5.91	-59.30
CCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL000000005799	0	41	0.0	-67.20	328.90	3.67	-63.53
CCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL000000005799	1	41	0.0	-61.74	325.97	3.67	-58.07
CCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL000000005799	1	41	0.0	-67.19	328.84	3.68	-63.51
CCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL000000005799	1	41	0.0	-61.74	325.91	3.67	-58.07
CCCC(NC(=O)CC1=NC(C2CCCC2)=CS1)C1=NNN=N1	REAL000000005802	1	45	0.0	-13.58	370.96	4.54	-9.05
CCCC(NC(=O)CCC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000005813	1	53	0.0	-9.94	427.84	8.08	-1.87
CCCC(NC(=O)C1=CN(C)N=C1Br)C1=NNN=N1	REAL000000005814	1	33	0.0	-16.75	301.61	1.89	-14.86
CCCC(NC(=O)C1CC2=CC=C(Br)C=C2C(=O)O1)C1=NNN=N1	REAL000000005815	1	40	0.0	-16.14	350.94	5.54	-10.60
CCCC(NC(=O)[C@@H](C)N1CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000005816	1	44	0.0	-24.32	360.30	5.35	-18.97
CCCC(NC(=O)C1=COC2=C1C(=O)NCCC2)C1=NNN=N1	REAL000000005817	1	41	0.0	-23.79	336.19	1.57	-22.22
CCCC(NC(=O)C1=CC=C2C(=O)NC(C)=NC2=C1)C1=NNN=N1	REAL000000005818	1	41	0.0	-16.40	345.09	2.58	-13.82
CCCC(NC(=O)CC1=C(C)N=C(CC(F)(F)F)S1)C1=NNN=N1	REAL000000005819	1	41	0.0	-14.27	369.09	3.97	-10.30
CCCC(NC(=O)CCC(=O)N[C@@H](C)C1=CC=CC=C1)C1=NNN=N1	REAL000000005820	1	49	0.0	-11.92	400.88	4.37	-7.55
CCCC(NC(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=NNN=N1	REAL000000005821	1	35	0.0	-10.54	327.86	3.77	-6.77
CCCC(NC(=O)C1=C(C#N)C2=CC=CC=C2N1)C1=NNN=N1	REAL000000005822	1	38	0.0	-17.12	330.86	4.02	-13.11
CCCC(NC(=O)CCC1=CC=C(OC)N=C1)C1=NNN=N1	REAL000000005833	1	42	0.0	-12.20	350.80	1.83	-10.38
CCCC(NC(=O)C1=NN(C)C(NC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000005834	1	50	0.0	-13.34	396.78	2.06	-11.28
CCCC(NC(=O)C(CC1CC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005835	1	53	0.0	-7.37	404.88	3.12	-4.26
CCCC(NC(=O)CC1CCC2=C(C=CS2)C1=O)C1=NNN=N1	REAL000000005836	1	42	0.0	-16.64	352.72	6.21	-10.43
CCCC(NC(=O)C1=NN(CCCNC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000005837	1	56	0.0	-16.66	452.68	2.85	-13.81
CCCC(NC(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]12)C1=NNN=N1	REAL000000005838	1	54	0.0	-11.38	417.35	5.30	-6.08
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005839	1	53	0.0	-12.95	409.10	2.85	-10.10
CCCC(NC(=O)C1CCC2=NNC=C2C1C)C1=NNN=N1	REAL000000005840	1	43	0.0	-12.39	337.55	2.95	-9.44
CCCC(NC(=O)CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)C1=NNN=N1	REAL000000005841	1	53	0.0	-9.33	424.66	8.20	-1.13
CCCC(NC(=O)CONC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005843	1	44	0.0	-16.36	354.11	1.39	-14.96
CCCC(NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005844	1	55	0.0	-12.00	424.60	4.94	-7.05
CCCC(NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005845	1	53	0.0	-7.91	417.51	2.81	-5.09
CCCC(NC(=O)C1=C2C=CC=C(OC)N2N=C1)C1=NNN=N1	REAL000000005847	1	40	0.0	-14.37	327.34	1.82	-12.55
CCCC(NC(=O)C1=C(C)C=C(C(=O)OC)O1)C1=NNN=N1	REAL000000005848	1	39	0.0	-9.67	336.77	3.18	-6.49
CCCC(NC(=O)C1CC(C2=CC=C(C)C=C2)=NO1)C1=NNN=N1	REAL000000005849	1	44	0.0	-18.70	367.19	5.64	-13.06
CCCC(NC(=O)C1CC(C2=CC(C)=CC=C2C)=NO1)C1=NNN=N1	REAL000000005850	1	47	0.0	-16.74	382.59	6.52	-10.23
CCCC(NC(=O)C1=NNC2=C1CC(C)CC2)C1=NNN=N1	REAL000000005851	1	43	0.0	-11.84	342.68	3.11	-8.74
CCCC(NC(=O)C1=CC=CN2N=CC(Br)=C12)C1=NNN=N1	REAL000000005852	1	36	0.0	-13.65	328.17	3.79	-9.86
CCCC(NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)OC)C1=NNN=N1	REAL000000005853	1	47	0.0	-9.10	350.18	5.67	-3.43
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)S1)C1=NNN=N1	REAL000000005854	1	40	0.0	-10.98	363.94	4.63	-6.35
CCCC(NC(=O)CC1=C(C)N=C(CC)N=C1C)C1=NNN=N1	REAL000000005855	1	46	0.0	-16.12	370.31	3.91	-12.22
CCCC(NC(=O)C1=NSC2=CC=CC=C21)C1=NNN=N1	REAL000000005856	1	35	0.0	-10.32	308.43	3.67	-6.65
CCCC(NC(=O)C1CCCN(C(C)(C)C)C1=O)C1=NNN=N1	REAL000000005857	1	49	0.0	-9.78	360.84	3.77	-6.01
CCCC(NC(=O)COCCC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000005858	1	43	0.0	-10.11	372.46	5.67	-4.45
CCCC(NC(=O)CCCC1=CC=C(C2CC2)C=C1)C1=NNN=N1	REAL000000005859	1	49	0.0	-12.16	394.48	8.02	-4.15
CCCC(NC(=O)C1=NC(OC)=CC(OC)=N1)C1=NNN=N1	REAL000000005860	1	39	0.0	-8.33	328.07	-2.17	-10.49
CCCC(NC(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000005861	1	42	0.0	-9.04	352.58	5.21	-3.84
CCCC(NC(=O)C1=CN=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000005862	1	42	0.0	-11.04	341.26	3.01	-8.03
CCCC(NC(=O)[C@@H](CC(C)C)N1CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000005863	1	53	0.0	-20.12	419.68	7.13	-12.99
CCCC(NC(=O)CN1C(=O)SC(C)=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000005864	1	46	0.0	-14.93	387.37	5.67	-9.26
CCCC(NC(=O)C1=NN2CCCC(=O)C2=C1)C1=NNN=N1	REAL000000005865	1	39	0.0	-16.85	328.15	2.15	-14.70
CCCC(NC(=O)C1=CC=C(C(C)=O)C(C)=C1)C1=NNN=N1	REAL000000005866	1	41	0.0	-11.63	329.12	4.51	-7.12
CCCC(NC(=O)C1CC(C2=CC=CC=N2)=NO1)C1=NNN=N1	REAL000000005867	1	40	0.0	-17.99	342.03	3.22	-14.77
CCCC(NC(=O)CC1=C(Br)C=C(C)S1)C1=NNN=N1	REAL000000005868	1	36	0.0	-10.83	333.92	4.81	-6.02
CCCC(NC(=O)C1=NN(CC)C(C2CC2)=C1)C1=NNN=N1	REAL000000005869	1	43	0.0	-12.29	355.43	4.31	-7.98
CCCC(NC(=O)C1=CC(C2=CNC3=CC=CC=C23)=NN1)C1=NNN=N1	REAL000000005870	1	44	0.0	-12.85	365.96	3.35	-9.50
CCCC(NC(=O)COC1=CC=C(Br)C(C)=C1)C1=NNN=N1	REAL000000005871	1	40	0.0	-13.77	350.76	5.43	-8.35
CCCC(NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)C1=NNN=N1	REAL000000005872	1	45	0.0	-10.82	335.64	4.42	-6.40
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NC(C)CO)C=C1)C1=NNN=N1	REAL000000005873	1	48	0.0	-18.18	404.14	-1.86	-20.05
CCCC(NC(=O)C1=CC=C(S(=O)(=O)NCC(C)O)C=C1)C1=NNN=N1	REAL000000005874	1	48	0.0	-18.06	407.68	-1.86	-19.92
CCCC(NC(=O)C1=CC=CC(NCC2=CN=CS2)=C1)C1=NNN=N1	REAL000000005875	1	44	0.0	-10.29	371.68	3.18	-7.11
CCCC(NC(=O)C1=CC=C(Br)C(CC)=C1)C1=NNN=N1	REAL000000005876	1	39	0.0	-9.91	336.69	5.54	-4.38
CCCC(NC(=O)C(=O)NC1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000005878	1	40	0.0	-9.00	353.92	2.91	-6.09
CCCC(NC(=O)C(F)(F)C1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000005879	1	40	0.0	-10.17	341.46	3.75	-6.42
CCCC(NC(=O)C(OC)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000005881	1	37	0.0	-14.13	347.30	4.27	-9.86
CCCC(NC(=O)CC1=C(C)C=C(C#N)C=C1C)C1=NNN=N1	REAL000000005882	1	43	0.0	-11.23	349.89	5.43	-5.80
CCCC(NC(=O)C1=C(Br)C(OC)=NS1)C1=NNN=N1	REAL000000005893	1	33	0.0	-9.74	315.81	0.17	-9.58
CCCC(NC(=O)C1=CC=C2NC(C(C)(C)CO)=NC2=C1)C1=NNN=N1	REAL000000005894	1	49	0.0	-17.24	394.97	1.75	-15.49
CCCC(NC(=O)CN1N=NC2=CC=CC=C21)C1=NNN=N1	REAL000000005895	1	38	0.0	-18.87	325.69	2.41	-16.46
CCCC(NC(=O)CC1=CSC(N(CC)CC(C)C)=N1)C1=NNN=N1	REAL000000005896	1	52	0.0	-14.05	423.37	6.18	-7.87
CCCC(NC(=O)C1=CC=CC(C2=CC=CC(C)=C2)=C1)C1=NNN=N1	REAL000000005897	1	46	0.0	-13.03	373.31	7.77	-5.26
CCCC(NC(=O)C1=NN(C(C)C)C=C1Br)C1=NNN=N1	REAL000000005898	1	39	0.0	-11.77	342.61	3.43	-8.34
CCCC(NC(=O)C1=CN(C)N=C1I)C1=NNN=N1	REAL000000005899	1	33	0.0	-15.57	307.49	2.30	-13.27
CCCC(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000005900	1	56	0.0	-11.85	423.64	3.57	-8.28
CCCC(NC(=O)C1=C(C)N=C(NCC)S1)C1=NNN=N1	REAL000000005901	1	40	0.0	-10.76	340.94	2.29	-8.47
CCCC(NC(=O)C1=C(C)N=C(NC2CC2)S1)C1=NNN=N1	REAL000000005902	1	41	0.0	-10.54	351.15	3.22	-7.31
C=CCNC1=NC=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000005903	1	38	0.0	-11.03	336.68	2.22	-8.81
CCCC(NC(=O)C1=CC2=C(OC)C=CC=C2N1)C1=NNN=N1	REAL000000005904	1	41	0.0	-10.66	333.88	2.57	-8.09
CCCC(NC(=O)C1CC(C2=CC=CC=C2C)=NO1)C1=NNN=N1	REAL000000005905	1	44	0.0	-16.91	361.20	5.85	-11.06
CCCC(NC(=O)CC1=CC(Br)=CC=C1Cl)C1=NNN=N1	REAL000000005906	1	36	0.0	-10.71	337.89	5.37	-5.34
CCCC(NC(=O)CC1=C(C)C=C(C)NC1=O)C1=NNN=N1	REAL000000005907	1	42	0.0	-16.43	337.46	2.06	-14.37
CCCC(NC(=O)C1=CC=CC(NC(=O)NC)=C1)C1=NNN=N1	REAL000000005908	1	42	0.0	-22.24	348.96	1.18	-21.05
CCCC(NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1N)C1=NNN=N1	REAL000000005909	1	37	0.0	-11.23	340.03	3.32	-7.91
CCCC(NC(=O)C1=CC=CC(NCC2=NC(C)=CS2)=C1)C1=NNN=N1	REAL000000005910	1	47	0.0	-13.76	400.71	4.00	-9.76
CCCC(NC(=O)C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1)C1=NNN=N1	REAL000000005911	1	44	0.0	-11.52	385.12	3.48	-8.04
CCCC(NC(=O)C1=CSC(C(C)NC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000005912	1	52	0.0	-12.24	432.51	1.99	-10.25
CCCC(NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000005913	1	54	0.0	-12.25	411.60	5.30	-6.95
CCCC(NC(=O)C1=CC=NC2=C1CCN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005914	1	53	0.0	-15.56	420.23	5.92	-9.64
CCCC(NC(=O)C1=CC=CC2=C1CCN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005915	1	54	0.0	-13.08	422.44	6.48	-6.59
CCCC(NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000005916	1	54	0.0	-10.85	412.27	5.03	-5.82
CCCC(NC(=O)C1CSCN1C(=O)OCC)C1=NNN=N1	REAL000000005917	1	42	0.0	-11.79	346.87	2.86	-8.93
CCCC(NC(=O)CCC(=O)C1CCC(C)CC1)C1=NNN=N1	REAL000000005918	1	50	0.0	-7.51	375.72	5.56	-1.96
CCCC(NC(=O)C1=CC=C(N2CCCCCC2)C=C1)C1=NNN=N1	REAL000000005919	1	51	0.0	-9.90	387.79	5.92	-3.98
CCCC(NC(=O)C(C)SC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000005920	1	40	0.0	-11.22	345.87	5.33	-5.89
CCCC(NC(=O)C1=C(C(F)F)SC=C1)C1=NNN=N1	REAL000000005921	1	33	0.0	-14.54	296.78	3.66	-10.88
CCCC(NC(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=NNN=N1	REAL000000005922	1	46	0.0	-10.69	375.98	7.35	-3.34
CCCC(NC(=O)C1=CC(Br)=C2N=CC=NC2=C1)C1=NNN=N1	REAL000000005933	1	37	0.0	-14.05	334.16	2.84	-11.21
CCCC(NC(=O)CCCN1N=C(C)C=C1C)C1=NNN=N1	REAL000000005934	1	45	0.0	-17.78	368.79	4.22	-13.55
CCCC(NC(=O)CC1(C)CCS(=O)(=O)N1)C1=NNN=N1	REAL000000005935	1	41	0.0	-21.11	333.45	-1.46	-22.57
CCCC(NC(=O)C1=C2C=CC(Cl)=CC2=NC=C1)C1=NNN=N1	REAL000000005936	1	38	0.0	-12.28	330.62	4.52	-7.76
CCCC(NC(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=NNN=N1	REAL000000005937	1	42	0.0	-20.40	346.02	0.90	-19.50
CCCC(NC(=O)CC1C(=O)NC2=C(F)C=CC=C21)C1=NNN=N1	REAL000000005938	1	41	0.0	-19.46	346.01	4.05	-15.42
CCCC(NC(=O)CC(C)CC1=CC=CC(OC)=C1)C1=NNN=N1	REAL000000005939	1	49	0.0	-13.03	387.41	5.61	-7.42
CCCC(NC(=O)C1=CC=CC2=C1CCOC2)C1=NNN=N1	REAL000000005940	1	41	0.0	-11.80	325.84	3.75	-8.05
CCCC(NC(=O)CC1CCCC(C(F)(F)F)O1)C1=NNN=N1	REAL000000005941	1	43	0.0	-13.97	355.66	4.38	-9.59
CCCC(NC(=O)C1(OC)CS(=O)(=O)C1)C1=NNN=N1	REAL000000005942	1	37	0.0	-14.40	315.44	-2.30	-16.70
CCCC(NC(=O)C1=CC(F)=CC(C(=O)OC)=C1)C1=NNN=N1	REAL000000005953	1	39	0.0	-13.27	338.90	4.38	-8.90
C=CC1(CC(=O)NC(CCC)C2=NNN=N2)CN(C(=O)OC(C)(C)C)C1	REAL000000005955	1	54	0.0	-15.66	421.46	4.55	-11.12
CCCC(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=NN=N[N-]1	REAL000000005956	0	50	0.0	-64.93	375.60	5.83	-59.10
CCCC(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=N[N-]N=N1	REAL000000005956	1	50	0.0	-64.92	375.55	5.83	-59.09
CCCC(NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1=NNN=N1	REAL000000005957	1	40	0.0	-17.46	336.75	0.39	-17.07
CCCC(NC(=O)C1=CN(C(F)(F)CO)N=N1)C1=NNN=N1	REAL000000005959	1	36	0.0	-10.34	315.16	-2.65	-12.99
CCCC(NC(=O)C1=C(OC)SN=C1OC)C1=NNN=N1	REAL000000005960	1	37	0.0	-13.75	330.84	-1.14	-14.89
CCCC(NC(=O)C1=CN=C2C(=C1)C(C(F)(F)F)=NN2C)C1=NNN=N1	REAL000000005961	1	41	0.0	-12.92	363.62	3.79	-9.12
CCCC(NC(=O)C(C)OC1=C(Cl)C=C(C=O)C=C1OC)C1=NNN=N1	REAL000000005962	1	46	0.0	-14.98	388.55	4.47	-10.52
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2Cl)S1)C1=NNN=N1	REAL000000005963	1	44	0.0	-8.53	390.19	7.81	-0.72
CCCC(NC(=O)CC1=C(C)N=C(CS(C)(=O)=O)S1)C1=NNN=N1	REAL000000005964	1	44	0.0	-21.68	385.03	0.03	-21.66
CCCC(NC(=O)CC1=CC=CC2=NSN=C21)C1=NNN=N1	REAL000000005967	1	37	0.0	-14.78	326.63	2.64	-12.14
CCCC(NC(=O)C1=C(I)C(C)=NN1)C1=NNN=N1	REAL000000005968	1	33	0.0	-10.25	305.71	1.79	-8.46
CCCC(NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C1=NNN=N1	REAL000000005969	1	39	0.0	-19.27	331.10	-1.39	-20.66
CCCC(NC(=O)C1=C2C=CNC2=CC=C1OC)C1=NNN=N1	REAL000000005970	1	41	0.0	-16.54	341.89	2.86	-13.69
CCCC(NC(=O)C1=CC=C(N(C)C)C(C=O)=C1)C1=NNN=N1	REAL000000005971	1	43	0.0	-13.30	353.08	4.05	-9.25
CCCC(NC(=O)C1=C2N(CCN(C)S2(=O)=O)N=C1)C1=NNN=N1	REAL000000005972	1	42	0.0	-24.37	356.93	-1.11	-25.48
CCCC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=NN=N[N-]1	REAL000000005973	0	48	0.0	-50.08	356.87	5.60	-44.48
CCCC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=NN=N[N-]1	REAL000000005973	1	48	0.0	-57.17	362.55	5.44	-51.72
CCCC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=N[N-]N=N1	REAL000000005973	1	48	0.0	-50.07	356.82	5.60	-44.47
CCCC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=N[N-]N=N1	REAL000000005973	1	48	0.0	-57.16	362.49	5.44	-51.72
CCCC(NC(=O)C1=CN2C=CNC(=O)C2=N1)C1=NNN=N1	REAL000000005974	1	36	0.0	-20.63	313.56	1.14	-19.49
CCCC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL000000005975	0	48	0.0	-58.92	344.95	4.85	-54.07
CCCC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL000000005975	1	48	0.0	-53.85	349.29	5.54	-48.32
CCCC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL000000005975	1	48	0.0	-58.91	344.89	4.85	-54.06
CCCC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL000000005975	1	48	0.0	-53.84	349.23	5.53	-48.31
CCCC(NC(=O)C1=CC(NC(=O)OCC)=CC=C1F)C1=NNN=N1	REAL000000005976	1	44	0.0	-13.26	364.16	2.56	-10.70
CCCC(NC(=O)C1CCC(=O)N(C2=CN(C)N=C2)C1)C1=NNN=N1	REAL000000005977	1	47	0.0	-18.69	375.78	2.97	-15.71
CCCC(NC(=O)C1=CC=C(NC(=O)OCC)C=C1Cl)C1=NNN=N1	REAL000000005978	1	44	0.0	-17.77	379.18	3.35	-14.42
CCCC(NC(=O)C1=CC=C(NC(=O)OC)C=C1Cl)C1=NNN=N1	REAL000000005979	1	41	0.0	-14.10	350.13	2.09	-12.01
CCCC(NC(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C1=NNN=N1	REAL000000005980	1	40	0.0	-14.31	347.73	3.18	-11.13
CCCC(NC(=O)CC1CC(=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000005981	1	44	0.0	-14.63	356.12	3.30	-11.33
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC)=C1)C1=NNN=N1	REAL000000005982	1	41	0.0	-16.91	350.55	2.02	-14.89
CCCC(NC(=O)C1=NC(Br)=C2C=CC=CN12)C1=NNN=N1	REAL000000005993	1	36	0.0	-12.45	326.77	4.64	-7.81
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2=CC=CS2)=C1)C1=NNN=N1	REAL000000005994	1	48	0.0	-12.27	405.40	7.42	-4.85
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCOC2)C1=NNN=N1	REAL000000005995	1	44	0.0	-19.79	377.94	2.65	-17.14
CCCC(NC(=O)C1=C2N[C@H](C)C[C@H](C(F)F)N2N=C1)C1=NNN=N1	REAL000000005996	1	45	0.0	-14.27	362.76	2.64	-11.63
CCCC(NC(=O)C1=CC2=C(CCC(CC)C2)NC1=O)C1=NNN=N1	REAL000000005997	1	49	0.0	-14.33	382.40	4.56	-9.77
CCCC(NC(=O)C1=CC(S(=O)(=O)CC)=CNC1=O)C1=NNN=N1	REAL000000005998	1	42	0.0	-19.36	354.98	-1.05	-20.42
CCCC(NC(=O)C1=CC=C(Br)NC1=O)C1=NNN=N1	REAL000000005999	1	33	0.0	-11.69	301.16	1.37	-10.33
CCCC(NC(=O)C1=CC=C(C2CC2)NC1=O)C1=NNN=N1	REAL000000006000	1	40	0.0	-13.21	322.03	2.80	-10.41
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)S2)C=C1)C1=NNN=N1	REAL000000006001	1	42	0.0	-11.35	361.32	5.78	-5.57
CCCC(NC(=O)C1=CC2=C(Br)C=CC(C)=C2N1)C1=NNN=N1	REAL000000006002	1	40	0.0	-9.21	346.51	4.51	-4.69
CCCC(NC(=O)C1=CC2=CC(C(C)(C)C)=CC=C2N1)C1=NNN=N1	REAL000000006003	1	49	0.0	-11.04	387.41	5.92	-5.13
CCCC(NC(=O)C1=CC2=C(Br)C(C)=CC=C2N1)C1=NNN=N1	REAL000000006004	1	40	0.0	-13.01	350.53	4.75	-8.25
CCCC(NC(=O)CC1=CNC2=CN=C(Cl)C=C12)C1=NNN=N1	REAL000000006005	1	39	0.0	-14.43	338.68	2.72	-11.70
CCCC(NC(=O)C1=CC2=C(C)C=CC(F)=C2O1)C1=NNN=N1	REAL000000006006	1	39	0.0	-9.30	329.17	4.42	-4.88
CCCC(NC(=O)CCSCCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006007	1	56	0.0	-13.74	456.56	4.05	-9.68
CCCC(NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006008	1	56	0.0	-15.06	446.78	4.16	-10.90
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006009	1	56	0.0	-12.94	429.17	3.72	-9.22
CCCC(NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1=NNN=N1	REAL000000006010	1	56	0.0	-11.06	413.63	4.71	-6.35
CCCC(NC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NNN=N1	REAL000000006011	1	37	0.0	-16.51	317.98	3.03	-13.48
CCCC(NC(=O)C1=C2C=CC(C)=C(C)N2N=C1)C1=NNN=N1	REAL000000006012	1	42	0.0	-11.80	336.77	4.19	-7.61
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C2=CC=CC=C21)C1=NNN=N1	REAL000000006013	1	54	0.0	-16.03	422.20	6.51	-9.52
CCCC(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1=NNN=N1	REAL000000006014	1	56	0.0	-17.20	432.44	5.02	-12.18
CCCC(NC(=O)CSCC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000006015	1	52	0.0	-12.94	422.99	8.03	-4.90
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=NNN=N1	REAL000000006016	1	42	0.0	-11.82	349.56	5.38	-6.44
CCCC(NC(=O)C1=C2N=CC=CC2=C(C)C=C1)C1=NNN=N1	REAL000000006017	1	41	0.0	-17.96	334.53	5.01	-12.95
CCCC(NC(=O)C1=C2C=COC2=C(F)C=C1)C1=NNN=N1	REAL000000006018	1	36	0.0	-10.63	302.07	3.71	-6.92
CCCC(NC(=O)C1=C2C=COC2=C(Cl)C=C1)C1=NNN=N1	REAL000000006019	1	36	0.0	-13.44	319.59	4.49	-8.95
CCCC(NC(=O)C1=CC(C)=CC(I)=C1)C1=NNN=N1	REAL000000006020	1	36	0.0	-8.85	326.92	5.42	-3.43
CCCC(NC(=O)C1=C2OC=CC2=CC(F)=C1)C1=NNN=N1	REAL000000006021	1	36	0.0	-13.55	311.05	4.65	-8.90
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1SC)C1=NNN=N1	REAL000000006022	1	39	0.0	-11.73	341.60	5.35	-6.38
CCCC(NC(=O)C1=NN(C)C(C2=CC=C(OC)C(OC)=C2)=C1)C1=NNN=N1	REAL000000006023	1	51	0.0	-13.85	407.81	3.56	-10.29
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL000000006024	0	51	0.0	-68.56	398.18	7.05	-61.51
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL000000006024	1	51	0.0	-61.59	395.66	7.18	-54.41
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL000000006024	1	51	0.0	-68.55	398.13	7.06	-61.50
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL000000006024	1	51	0.0	-61.58	395.59	7.17	-54.41
CCCC(NC(=O)C1=CC=C2CCN(C(=O)OC(C)(C)C)C2=C1)C1=NNN=N1	REAL000000006025	1	54	0.0	-21.18	424.48	6.49	-14.69
CCCC(NC(=O)C1=CC=CC(OCCCOC)=C1C)C1=NNN=N1	REAL000000006026	1	50	0.0	-13.57	398.82	4.53	-9.03
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006027	1	56	0.0	-10.04	435.75	3.99	-6.04
CCCC(NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006028	1	55	0.0	-11.71	416.93	3.34	-8.37
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NN1C)C1=NNN=N1	REAL000000006029	1	50	0.0	-10.32	400.28	2.38	-7.94
CCCC(NC(=O)CCC1=C(NC(=O)OC(C)(C)C)C=NN1C)C1=NNN=N1	REAL000000006030	1	56	0.0	-13.07	438.24	2.59	-10.48
CCCC(NC(=O)C(OC)C1=CC=CC=C1C(F)(F)F)C1=NNN=N1	REAL000000006031	1	43	0.0	-10.21	361.31	5.37	-4.84
CCCC(NC(=O)C1=C2C=C(C)C=CC2=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000006032	1	48	0.0	-10.61	390.39	6.15	-4.46
CCCC(NC(=O)C(CC(C)CC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006033	1	58	0.0	-9.05	437.68	4.54	-4.50
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C(C)(C)C)C1=NNN=N1	REAL000000006034	1	58	0.0	-12.42	426.99	3.89	-8.53
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1)C1=NNN=N1	REAL000000006035	1	37	0.0	-10.74	328.99	5.36	-5.38
CCCC(NC(=O)C=CC1=CC2=C(C=C1OCC)CC(C)O2)C1=NNN=N1	REAL000000006036	1	52	0.0	-10.75	412.22	5.44	-5.31
CCCC(NC(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=NNN=N1	REAL000000006037	1	45	0.0	-11.28	378.73	4.62	-6.66
CCCC(NC(=O)C=CC1=CC=C(C2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000006038	1	44	0.0	-8.76	379.66	7.36	-1.40
CCCC(NC(=O)C=CC1=CC=C(NS(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000006039	1	45	0.0	-17.88	385.61	1.56	-16.32
CCCC(NC(=O)C=CC1=CC=CC=C1OC(C)CC)C1=NNN=N1	REAL000000006040	1	50	0.0	-13.37	401.16	6.60	-6.77
CCCC(NC(=O)C=CC1=CC=C2C=CC(Cl)=CC2=N1)C1=NNN=N1	REAL000000006041	1	42	0.0	-10.28	365.49	5.65	-4.63
CCCC(NC(=O)C=CC1=CC=CC(OC2CCCC2)=C1)C1=NNN=N1	REAL000000006042	1	51	0.0	-11.80	406.34	7.05	-4.74
CCCC(NC(=O)C1=CN2N=CC(Br)=C2C=C1)C1=NNN=N1	REAL000000006043	1	36	0.0	-13.00	326.55	4.05	-8.95
CCCC(NC(=O)C1=CC(Br)=CC=C1CC)C1=NNN=N1	REAL000000006044	1	39	0.0	-8.18	333.00	5.66	-2.52
CCCC(NC(=O)C1=CC(Br)=CC(OC)=C1)C1=NNN=N1	REAL000000006045	1	37	0.0	-10.42	328.50	3.58	-6.83
CCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL000000006046	0	52	0.0	-73.27	417.05	6.53	-66.73
CCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL000000006046	1	52	0.0	-73.26	416.99	6.52	-66.73
CCCC(NC(=O)CC1=NN(CC(F)(F)F)C=C1)C1=NNN=N1	REAL000000006047	1	39	0.0	-18.02	343.79	3.44	-14.58
CCCC(NC(=O)C1=C2C(Br)=CC=CN2N=C1)C1=NNN=N1	REAL000000006048	1	36	0.0	-12.37	315.73	3.56	-8.81
CCCC(NC(=O)C1=CC2=CC(Br)=CN=C2N1C)C1=NNN=N1	REAL000000006049	1	39	0.0	-8.62	337.78	4.66	-3.96
CCCC(NC(=O)C1=CC(Br)=C(N)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006050	1	37	0.0	-12.65	335.03	3.11	-9.54
CCCC(NC(=O)C1=CC(=O)N(C)C=C1Br)C1=NNN=N1	REAL000000006052	1	36	0.0	-13.75	319.43	3.07	-10.68
CCCC(NC(=O)COC1=C(C)OC=CC1=O)C1=NNN=N1	REAL000000006053	1	39	0.0	-19.72	334.40	3.57	-16.15
CCCC(NC(=O)C1=NC(C(C)C)=NC=C1Br)C1=NNN=N1	REAL000000006054	1	40	0.0	-8.30	349.83	3.53	-4.78
CCCC(NC(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000006055	1	41	0.0	-12.17	349.66	5.57	-6.60
CCCC(NC(=O)CCC1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NNN=N1	REAL000000006056	1	41	0.0	-14.29	360.17	6.05	-8.25
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Br)C1=NNN=N1	REAL000000006057	1	38	0.0	-8.54	338.85	4.00	-4.54
CCCC(NC(=O)CN1N=C(C(F)F)C=C1C(F)F)C1=NNN=N1	REAL000000006058	1	39	0.0	-14.62	348.39	3.20	-11.42
CCCC(NC(=O)C1=CC=CC(C(C)(C)C)=C1N)C1=NNN=N1	REAL000000006059	1	47	0.0	-8.94	354.41	4.62	-4.32
CCCC(NC(=O)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)C1=NNN=N1	REAL000000006060	1	50	0.0	-10.90	379.31	4.80	-6.10
CCCC(NC(=O)C1=CC=C(C(F)(F)F)O1)C1=NNN=N1	REAL000000006061	1	33	0.0	-8.17	303.12	2.88	-5.29
CCCC(NC(=O)CCCN(C)C(=O)C1=CC=NC=C1)C1=NNN=N1	REAL000000006062	1	48	0.0	-18.84	391.21	3.57	-15.28
CCCC(NC(=O)COCC1=NC(CC)=NO1)C1=NNN=N1	REAL000000006063	1	41	0.0	-19.49	349.89	0.92	-18.57
CCCC(NC(=O)CC1CCC(C(F)(F)F)O1)C1=NNN=N1	REAL000000006064	1	40	0.0	-15.08	337.93	3.45	-11.63
CCCC(NC(=O)C1=C(C)N=C2C=CC(OC)=CC2=C1)C1=NNN=N1	REAL000000006065	1	45	0.0	-12.66	364.66	3.99	-8.67
CCCC(NC(=O)C1=NC(C)=CC=C1Br)C1=NNN=N1	REAL000000006066	1	35	0.0	-10.70	312.85	3.17	-7.53
CCCC(NC(=O)C1=CC=C(OC(F)F)C=C1F)C1=NNN=N1	REAL000000006067	1	37	0.0	-11.07	314.23	2.99	-8.08
CCCC(NC(=O)C1=CN=NN1C1=CC=CC(Cl)=C1Cl)C1=NNN=N1	REAL000000006068	1	39	0.0	-12.17	354.79	4.12	-8.04
CCCC(NC(=O)CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)C1=NNN=N1	REAL000000006069	1	48	0.0	-24.44	406.04	5.26	-19.18
CCCC(NC(=O)C1CC(C2=CN(C)N=C2C)=NO1)C1=NNN=N1	REAL000000006070	1	44	0.0	-22.54	368.81	3.54	-19.00
CCCC(NC(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=NNN=N1	REAL000000006071	1	39	0.0	-15.63	334.67	3.65	-11.98
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCCC2)C1=NNN=N1	REAL000000006072	1	46	0.0	-18.34	383.63	4.92	-13.42
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=NNN=N1	REAL000000006073	1	40	0.0	-12.31	338.15	2.79	-9.52
CCCC(NC(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=NNN=N1	REAL000000006074	1	44	0.0	-16.88	354.40	4.59	-12.29
CCCC(NC(=O)CCNC(=O)C=CCl)C1=NNN=N1	REAL000000006075	1	37	0.0	-17.40	332.17	0.82	-16.59
CCCC(NC(=O)C1=CN=C(Br)C(C)=C1)C1=NNN=N1	REAL000000006076	1	35	0.0	-10.07	312.39	2.95	-7.11
CCCC(NC(=O)C1=CC(=O)NC2=C1CCCC2)C1=NNN=N1	REAL000000006077	1	43	0.0	-11.11	332.86	2.65	-8.47
CCCC(NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=NNN=N1	REAL000000006078	1	50	0.0	-15.53	387.89	1.21	-14.33
CCCC(NC(=O)C1=CC=CC(NC2=NC=CS2)=C1)C1=NNN=N1	REAL000000006079	1	41	0.0	-11.33	345.75	3.75	-7.58
CCCC1=CC(C(=O)NC(CCC)C2=NNN=N2)=CC(=O)N1	REAL000000006080	1	42	0.0	-14.32	339.89	2.36	-11.96
CCCC(NC(=O)C1=CNC(=O)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006081	1	36	0.0	-15.99	319.29	1.64	-14.35
CCCC(NC(=O)C1=CC(SCC)=CNC1=O)C1=NNN=N1	REAL000000006082	1	40	0.0	-16.00	341.54	2.71	-13.29
CCCC(NC(=O)C1=C2N=C(C(F)F)NC2=CC=C1)C1=NNN=N1	REAL000000006083	1	39	0.0	-17.27	330.62	3.19	-14.08
CCCC(NC(=O)C1=CC2=CC=CC=C2OC1C(F)F)C1=NNN=N1	REAL000000006084	1	42	0.0	-13.58	351.61	5.04	-8.54
CCCC(NC(=O)CC1=CC=CC(C(F)(F)F)=N1)C1=NNN=N1	REAL000000006085	1	38	0.0	-14.30	328.38	3.38	-10.92
CCCC(NC(=O)CC1=CC=CC(OCC)=N1)C1=NNN=N1	REAL000000006086	1	42	0.0	-15.25	349.87	2.25	-13.00
CCCC(NC(=O)C1=CC(=O)NC=C1Br)C1=NNN=N1	REAL000000006088	1	33	0.0	-13.84	299.24	1.19	-12.65
CCCC(NC(=O)C1=C(C)NN=C1Br)C1=NNN=N1	REAL000000006089	1	33	0.0	-13.33	304.71	1.06	-12.27
CCCC(NC(=O)[C@@H](C)NC(=O)CN1C=NN=N1)C1=NNN=N1	REAL000000006090	1	41	0.0	-23.06	342.49	-0.10	-23.16
CCCC(NC(=O)C1=C2N=C(C)NC2=NC=C1)C1=NNN=N1	REAL000000006092	1	38	0.0	-20.15	320.12	2.54	-17.61
CCCC(NC(=O)C1=CC2=C(CCC(C(C)C)C2)NC1=O)C1=NNN=N1	REAL000000006093	1	52	0.0	-14.32	399.02	5.04	-9.29
CCCC(NC(=O)CN1N=C(C)C2=CC=CN=C21)C1=NNN=N1	REAL000000006094	1	41	0.0	-18.69	347.90	3.70	-14.98
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O)C1=NNN=N1	REAL000000006095	1	42	0.0	-12.08	358.67	3.63	-8.44
CCCOC(C(=O)NC(CCC)C1=NNN=N1)C1=CC=C(F)C=C1C	REAL000000006096	1	49	0.0	-12.99	396.65	6.98	-6.01
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=N[N-]N=N1	REAL000000006097	0	48	0.0	-68.04	380.64	5.77	-62.27
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL000000006097	1	48	0.0	-68.04	380.70	5.77	-62.27
CCCC(NC(=O)C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1)C1=NNN=N1	REAL000000006098	1	46	0.0	-18.89	402.88	6.28	-12.61
CCCC(NC(=O)[C@H](C)NC(=O)CN1C=NN=N1)C1=NNN=N1	REAL000000006099	1	41	0.0	-23.68	349.68	0.23	-23.46
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(N(C)C)C=C1)C1=NNN=N1	REAL000000006100	1	48	0.0	-11.84	381.77	6.08	-5.75
CCCC(NC(=O)CC1C(=O)NC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000006101	1	41	0.0	-14.69	360.90	4.60	-10.10
CCCC(NC(=O)C1=CC=C(CC2CC2)S1)C1=NNN=N1	REAL000000006102	1	40	0.0	-9.45	344.80	5.79	-3.65
CCCC(NC(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=NNN=N1	REAL000000006113	1	40	0.0	-19.15	342.11	1.54	-17.61
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=NNN=N1	REAL000000006114	1	36	0.0	-9.13	333.55	5.57	-3.56
CCCC(NC(=O)CCC(C)C1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000006115	1	45	0.0	-8.92	373.65	6.56	-2.36
CCCC(NC(=O)COCC1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000006116	1	43	0.0	-12.10	368.39	5.28	-6.82
CCCC(NC(=O)C1=NN(C2=CC=CC(OC)=C2)C=C1)C1=NNN=N1	REAL000000006117	1	44	0.0	-12.98	361.47	3.80	-9.18
CCCC(NC(=O)C(OC)C1=CC(F)=CC(F)=C1)C1=NNN=N1	REAL000000006118	1	40	0.0	-13.47	347.51	4.60	-8.87
CCCC(NC(=O)C1=NC(C)=C(Br)S1)C1=NNN=N1	REAL000000006119	1	32	0.0	-11.26	306.51	1.99	-9.27
CCCC(NC(=O)C1=CC2=C(OC)C=C(Cl)C=C2N1)C1=NNN=N1	REAL000000006120	1	41	0.0	-12.07	357.77	3.41	-8.66
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000006121	1	42	0.0	-10.51	349.29	5.36	-5.15
CCCC(NC(=O)C1=CN(CC2CCCO2)N=N1)C1=NNN=N1	REAL000000006122	1	43	0.0	-13.37	357.22	1.09	-12.28
CCCC(NC(=O)C1=NN2C=CC(C(F)(F)F)=NC2=N1)C1=NNN=N1	REAL000000006123	1	37	0.0	-14.94	332.06	4.57	-10.36
CCCC(NC(=O)C1=CC=C(OC)N=C1OC)C1=NNN=N1	REAL000000006124	1	40	0.0	-14.21	334.86	0.40	-13.81
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CCOCC1)C1=NNN=N1	REAL000000006125	1	60	0.0	-18.25	451.36	2.88	-15.36
CCCC(NC(=O)CC1=CC=CC(C(N)=O)=C1)C1=NNN=N1	REAL000000006126	1	40	0.0	-19.20	336.90	1.11	-18.09
CCCC(NC(=O)C1=CN=CC(NC(=O)CC)=C1)C1=NNN=N1	REAL000000006127	1	42	0.0	-18.97	349.23	1.61	-17.36
CCCC(NC(=O)C[C@@H](CCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006128	1	55	0.0	-16.22	423.55	3.68	-12.54
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1CCCCC1)C1=NNN=N1	REAL000000006129	1	62	0.0	-15.56	460.18	5.28	-10.28
CCCC(NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006130	1	53	0.0	-11.03	406.61	4.32	-6.72
CCCC(NC(=O)C[C@H](CCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006131	1	55	0.0	-15.57	423.54	3.68	-11.89
CCCC(NC(=O)C1CC2CC(NC(=O)OC(C)(C)C)C2C1)C1=NNN=N1	REAL000000006132	1	57	0.0	-13.41	431.75	4.34	-9.07
CCCC(NC(=O)C1=CC(Cl)=C(N)C=C1F)C1=NNN=N1	REAL000000006133	1	35	0.0	-12.45	311.57	2.20	-10.26
CCCC(NC(=O)CC1=CSC(NC(C)C(C)CC)=N1)C1=NNN=N1	REAL000000006134	1	52	0.0	-14.43	414.53	4.84	-9.58
CCCC(NC(=O)C=CC1=CC=C2OCC(=O)NC2=C1)C1=NNN=N1	REAL000000006135	1	43	0.0	-15.73	362.98	2.08	-13.65
CCCC(NC(=O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006136	1	56	0.0	-10.91	412.77	5.56	-5.35
CCCC(NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)C1=NNN=N1	REAL000000006137	1	54	0.0	-9.45	414.86	3.45	-6.00
CCCC(NC(=O)C1CC2(CC2C(=O)OCC)C1)C1=NNN=N1	REAL000000006138	1	46	0.0	-10.56	376.44	5.57	-4.99
CCCC(NC(=O)CCC1=CC=C(C(=O)OC)N1)C1=NNN=N1	REAL000000006139	1	43	0.0	-14.01	365.45	3.43	-10.59
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006141	1	51	0.0	-11.61	404.68	3.22	-8.39
CCCC(NC(=O)CCCC1CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006142	1	56	0.0	-17.18	440.78	5.29	-11.89
CCCC(NC(=O)C1=C(C)N(C)C(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000006143	1	57	0.0	-10.72	442.48	3.64	-7.08
CCCC(NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(N)=O)C1=NNN=N1	REAL000000006144	1	58	0.0	-25.89	456.00	-0.60	-26.50
CCCC(NC(=O)C1=C(OC)C(Cl)=C(Cl)S1)C1=NNN=N1	REAL000000006145	1	34	0.0	-10.24	332.67	4.13	-6.11
CCCC(NC(=O)C1=CC=C(N2CCC(COC)C2)C=C1)C1=NNN=N1	REAL000000006146	1	52	0.0	-11.07	409.04	3.85	-7.23
CCCC(NC(=O)C1CC12CCC(NC(=O)OC(C)(C)C)CC2)C1=NNN=N1	REAL000000006147	1	60	0.0	-15.63	457.16	5.06	-10.57
CCCC(NC(=O)CC(C(F)F)N1C=CC=N1)C1=NNN=N1	REAL000000006148	1	39	0.0	-10.95	328.60	2.93	-8.02
CCCC(NC(=O)CN1C=NC2=C1N=C(N)NC2=O)C1=NNN=N1	REAL000000006149	1	40	0.0	-28.86	344.71	2.52	-26.33
CCCC(NC(=O)C1=CC(NCC2=CC=CC=C2)=CC=N1)C1=NNN=N1	REAL000000006150	1	47	0.0	-8.91	384.40	4.21	-4.70
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006151	1	53	0.0	-9.69	414.25	3.21	-6.47
CCCC(NC(=O)C(CC1=NC=CS1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006152	1	52	0.0	-11.06	416.35	1.62	-9.44
CCCC[C@H](CC(=O)NC(CCC)C1=NNN=N1)NC(=O)OC(C)(C)C	REAL000000006153	1	58	0.0	-15.49	445.04	4.46	-11.02
CCCC(NC(=O)C[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006154	1	58	0.0	-12.58	449.97	3.57	-9.01
CCCC(NC(=O)C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)C1=NNN=N1	REAL000000006155	1	39	0.0	-9.97	360.52	5.32	-4.65
CCCC(NC(=O)C1=NN2CC(C)NC(=O)C2=C1)C1=NNN=N1	REAL000000006156	1	41	0.0	-16.89	343.21	-0.30	-17.19
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000006157	1	50	0.0	-9.80	411.02	2.89	-6.91
CCCC[C@@H](CC(=O)NC(CCC)C1=NNN=N1)NC(=O)OC(C)(C)C	REAL000000006158	1	58	0.0	-15.49	445.04	4.46	-11.03
CCCC(NC(=O)C(C#N)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006159	1	57	0.0	-12.86	442.24	5.42	-7.45
CCCC(NC(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=NNN=N1	REAL000000006160	1	38	0.0	-17.24	333.66	1.29	-15.95
CCCC(NC(=O)C1=NC(Br)=C2CCCCN12)C1=NNN=N1	REAL000000006161	1	40	0.0	-8.60	336.13	3.90	-4.69
CCCC(NC(=O)C1=CC(OC)=C(Cl)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006162	1	39	0.0	-11.44	347.09	4.06	-7.39
CCCC(NC(=O)C1=CC=C2N=C(C3CCCO3)OC2=C1)C1=NNN=N1	REAL000000006164	1	46	0.0	-12.47	371.00	1.25	-11.22
CCCC(NC(=O)C(O)CC1=CC(Cl)=CC(Cl)=C1)C1=NNN=N1	REAL000000006165	1	40	0.0	-11.59	366.95	4.07	-7.52
CCCC(NC(=O)C(O)C1=CC=CC2=C1OCC2)C1=NNN=N1	REAL000000006166	1	42	0.0	-11.29	341.85	2.51	-8.78
CCCC(NC(=O)C1=C2N=CC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000006167	1	38	0.0	-15.94	322.42	4.50	-11.44
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1)C1=NNN=N1	REAL000000006168	1	36	0.0	-15.72	322.64	2.80	-12.92
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)C1=NNN=N1	REAL000000006169	1	44	0.0	-12.69	369.52	5.25	-7.43
CCCC(NC(=O)C1=CC=C(NC(=O)CC2=CC=CN=C2)C=C1)C1=NNN=N1	REAL000000006170	1	49	0.0	-22.38	409.13	4.56	-17.82
CCCC(NC(=O)C1=NN2C=CC=C(Br)C2=C1)C1=NNN=N1	REAL000000006171	1	36	0.0	-11.69	322.85	3.57	-8.12
CCCC(NC(=O)C1=NC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000006172	1	32	0.0	-8.50	304.25	2.95	-5.55
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2OC)S1)C1=NNN=N1	REAL000000006183	1	43	0.0	-14.21	371.77	4.30	-9.91
CCCC(NC(=O)CC1CCCC2=C1N=C(C)O2)C1=NNN=N1	REAL000000006184	1	45	0.0	-15.56	356.59	3.13	-12.43
CCCC(NC(=O)CNC(=O)C1=C2C=CNC2=CC=C1)C1=NNN=N1	REAL000000006185	1	44	0.0	-16.25	365.80	2.17	-14.08
CCCCCC1=CC=CC(CC(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000006186	1	51	0.0	-11.11	409.74	8.11	-3.01
CCCC(NC(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=NNN=N1	REAL000000006187	1	41	0.0	-10.51	344.80	4.33	-6.18
CCCC(NC(=O)[C@H]1C[C@]1(C(=O)OCC)C(C)C)C1=NNN=N1	REAL000000006188	1	48	0.0	-13.00	380.70	5.22	-7.78
CCCCC1=NC=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000006189	1	41	0.0	-10.63	350.56	3.86	-6.77
CCCC(NC(=O)C1=CN=C(COC(C)(C)C)S1)C1=NNN=N1	REAL000000006190	1	45	0.0	-11.60	376.65	2.70	-8.90
CCCC(NC(=O)C1=CC2=CC=C([N+](=O)[O-])C(C)=C2N1)C1=NNN=N1	REAL000000006191	1	42	0.0	-10.44	350.33	4.54	-5.89
CCCC(NC(=O)C1=NN(C2=CC(F)=CC(OC)=C2)C=C1)C1=NNN=N1	REAL000000006192	1	44	0.0	-12.12	375.05	4.20	-7.92
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC1=CC=CC=C1)C1=NNN=N1	REAL000000006193	1	55	0.0	-10.25	424.52	9.69	-0.55
CCCC(NC(=O)C1=CC2=C(N(C)C)C=CC=C2S1)C1=NNN=N1	REAL000000006194	1	44	0.0	-11.28	371.15	4.55	-6.72
CCCC(NC(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=NNN=N1	REAL000000006195	1	46	0.0	-11.64	357.91	5.27	-6.37
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=NNN=N1	REAL000000006196	1	40	0.0	-14.47	342.20	5.78	-8.69
CCCC(NC(=O)C1=CC=C(OC)N=C1Cl)C1=NNN=N1	REAL000000006197	1	36	0.0	-9.73	310.30	0.50	-9.22
CCCC(NC(=O)C1=C2N=C(CC)NC2=NC=C1)C1=NNN=N1	REAL000000006198	1	41	0.0	-19.76	341.54	3.18	-16.57
CCCC(NC(=O)C1=C2N=C(CC3CC3)NC2=NC=C1)C1=NNN=N1	REAL000000006199	1	45	0.0	-19.71	372.85	4.77	-14.94
CCCC(NC(=O)C(O)C1CCCCCCC1)C1=NNN=N1	REAL000000006200	1	49	0.0	-6.88	343.85	2.94	-3.95
CCCC(NC(=O)C1=CC(C)=NC2=C1CCCC2)C1=NNN=N1	REAL000000006202	1	45	0.0	-10.82	351.75	4.96	-5.86
CCCC(NC(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=NNN=N1	REAL000000006213	1	42	0.0	-9.17	343.86	2.78	-6.38
CCCC(NC(=O)C1=CN(C2=CC=C(OC)C=C2)N=N1)C1=NNN=N1	REAL000000006214	1	43	0.0	-12.20	364.50	2.66	-9.54
CCCC(NC(=O)CN1N=NN=C1C1=CC=CC=C1)C1=NNN=N1	REAL000000006215	1	41	0.0	-18.31	345.81	3.19	-15.11
CCCC(NC(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=NNN=N1	REAL000000006216	1	40	0.0	-16.18	342.96	3.08	-13.10
CCCC(NC(=O)CC1CC2=CC(C(F)(F)F)=CC=C2O1)C1=NNN=N1	REAL000000006217	1	44	0.0	-14.86	376.37	5.49	-9.37
CCCC(NC(=O)CC1=CC=C(OC)C=C1C)C1=NNN=N1	REAL000000006219	1	43	0.0	-13.14	348.60	4.11	-9.03
CCCC(NC(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006220	1	42	0.0	-18.45	358.49	6.35	-12.10
CCCC(NC(=O)C1=CC=C(F)C(C(F)F)=C1)C1=NNN=N1	REAL000000006221	1	36	0.0	-9.49	309.69	4.28	-5.21
CCCC(NC(=O)CCC1=CC=C(S(C)(=O)=O)C=C1)C1=NNN=N1	REAL000000006222	1	45	0.0	-18.03	384.44	2.66	-15.37
CCCC(NC(=O)C1=CN=C(CC(C)C)S1)C1=NNN=N1	REAL000000006223	1	41	0.0	-10.61	345.77	3.54	-7.07
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006224	1	48	0.0	-11.98	362.44	5.71	-6.27
CCCC(NC(=O)C1=CN=C2CCCC(=O)C2=C1)C1=NNN=N1	REAL000000006225	1	41	0.0	-16.21	337.98	3.44	-12.77
CCCC(NC(=O)C1=CC=C(C(F)F)C(F)=C1)C1=NNN=N1	REAL000000006226	1	36	0.0	-10.57	309.90	4.30	-6.27
CCCC(NC(=O)C1=CSC(C2CCCCC2)=C1)C1=NNN=N1	REAL000000006227	1	46	0.0	-10.45	373.86	6.68	-3.77
CCCC(NC(=O)C1=CN=C(CC(C)(C)C)S1)C1=NNN=N1	REAL000000006228	1	44	0.0	-7.71	355.28	3.77	-3.94
CCCC(NC(=O)C1=CC(C(=O)OC)=CC=C1C)C1=NNN=N1	REAL000000006229	1	42	0.0	-9.46	341.36	4.67	-4.80
CCCC(NC(=O)C1=CC=C2SC=NC2=C1)C1=NNN=N1	REAL000000006230	1	35	0.0	-14.85	308.74	3.04	-11.81
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1F)C1=NNN=N1	REAL000000006231	1	33	0.0	-11.52	309.27	4.40	-7.12
CCCC(NC(=O)C=CC1=CC=CC=C1Cl)C1=NNN=N1	REAL000000006232	1	37	0.0	-9.45	319.28	4.95	-4.50
CCCC(NC(=O)C1=CC2=C(C)C=CC(Br)=C2N1)C1=NNN=N1	REAL000000006243	1	40	0.0	-7.50	346.41	4.50	-3.00
CCCC(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006244	1	58	0.0	-14.47	436.98	4.08	-10.38
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1C)C1=NNN=N1	REAL000000006245	1	53	0.0	-13.23	426.47	1.74	-11.49
CCCC(NC(=O)C1=NN2CCCCC(=O)C2=C1)C1=NNN=N1	REAL000000006246	1	42	0.0	-14.92	346.22	2.87	-12.05
CCCC(NC(=O)C1=CC(N2C=CC=C2)=CC=C1Cl)C1=NNN=N1	REAL000000006247	1	41	0.0	-11.89	351.09	6.97	-4.92
CCCC(NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C=C1)C1=NNN=N1	REAL000000006248	1	40	0.0	-14.48	351.81	4.97	-9.51
CCCCS(=O)(=O)CC(=O)NC(CCC)C1=NNN=N1	REAL000000006249	1	41	0.0	-25.27	348.34	0.83	-24.45
CCCC(NC(=O)CC1=CSC(CNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000006250	1	52	0.0	-17.19	434.29	1.98	-15.21
CCCC(NC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006251	1	54	0.0	-12.99	419.17	3.69	-9.30
CCCC(NC(=O)C(C)C1=CC=C(I)C=C1)C1=NNN=N1	REAL000000006252	1	39	0.0	-10.92	346.07	5.97	-4.95
CCCC(NC(=O)C1=CC=CC2=C1CCCCC2)C1=NNN=N1	REAL000000006253	1	46	0.0	-7.07	340.75	6.07	-0.99
CCCC(NC(=O)C1=C2C=CC=C(Br)C2=CC=N1)C1=NNN=N1	REAL000000006254	1	38	0.0	-8.96	334.49	4.68	-4.28
CCCC(NC(=O)C1CCCN(CC(=O)OC(C)(C)C)C1=O)C1=NNN=N1	REAL000000006255	1	55	0.0	-15.46	421.18	5.30	-10.17
CCCC(NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006256	1	50	0.0	-11.65	399.44	0.48	-11.17
CCCC(NC(=O)C1=CC=C(CC(C)C)S1)C1=NNN=N1	REAL000000006257	1	42	0.0	-6.66	344.67	5.17	-1.50
CCCC(NC(=O)CCC1=CC=C2OCCCC2=C1)C1=NNN=N1	REAL000000006258	1	47	0.0	-11.82	377.46	5.75	-6.07
CCCC(NC(=O)C1=CC(C(=O)C2=CC=CC=C2)=CN1)C1=NNN=N1	REAL000000006259	1	43	0.0	-21.57	362.77	4.68	-16.90
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1)C1=NNN=N1	REAL000000006260	1	46	0.0	-17.47	391.36	5.38	-12.09
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1C)C1=NNN=N1	REAL000000006261	1	43	0.0	-9.20	356.22	4.70	-4.50
CCCC(NC(=O)CC(C)(C)NC(=O)OCC1=CC=CC=C1)C1=NNN=N1	REAL000000006262	1	53	0.0	-15.14	420.25	4.17	-10.97
CCCC(NC(=O)C1=CN=C(CNC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000006263	1	49	0.0	-10.06	406.13	0.96	-9.11
CCCC(NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006264	1	58	0.0	-11.63	429.79	3.76	-7.87
CCCC(NC(=O)C1=C(C)SC(CNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000006265	1	52	0.0	-9.94	423.27	1.61	-8.34
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2N=C1)C1=NNN=N1	REAL000000006266	1	54	0.0	-13.04	418.10	3.39	-9.65
CCCC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)CCC1)C1=NNN=N1	REAL000000006267	1	54	0.0	-15.83	412.16	5.34	-10.49
CCCC(NC(=O)CC1=C(Br)SC=C1)C1=NNN=N1	REAL000000006268	1	33	0.0	-10.49	312.29	3.95	-6.54
CCCC(NC(=O)C1=CC=C(OC2CC2)C=C1)C1=NNN=N1	REAL000000006269	1	41	0.0	-11.24	338.18	4.64	-6.59
CCCC(NC(=O)C(F)(F)C1(O)CCCCCC1)C1=NNN=N1	REAL000000006270	1	46	0.0	-6.81	346.13	2.20	-4.60
CCCC(NC(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=NNN=N1	REAL000000006271	1	42	0.0	-11.70	338.99	5.02	-6.68
CCCC(NC(=O)C1=C(Cl)C([N+](=O)[O-])=NN1)C1=NNN=N1	REAL000000006273	1	32	0.0	-10.69	295.72	1.94	-8.75
CCCC(NC(=O)C1=CC=CC(Cl)=C1OC)C1=NNN=N1	REAL000000006274	1	37	0.0	-13.54	322.92	4.79	-8.75
CCCC(NC(=O)C(=O)NC1=CC=CC(C)=C1)C1=NNN=N1	REAL000000006275	1	40	0.0	-9.22	336.61	2.58	-6.64
CCCC(NC(=O)C1=C(C(C)C)NC(C(C)C)=C1)C1=NNN=N1	REAL000000006276	1	49	0.0	-10.28	386.60	5.27	-5.01
CCCC(NC(=O)C1=C2CCCCN2C(C)=N1)C1=NNN=N1	REAL000000006277	1	43	0.0	-13.18	343.54	4.38	-8.80
CCCOC1=CC=C2NC=C(CC(=O)NC(CCC)C3=NNN=N3)C2=C1	REAL000000006278	1	50	0.0	-13.38	400.00	5.10	-8.29
CCCC(NC(=O)C1=CC(C#N)=C2CCCCN12)C1=NNN=N1	REAL000000006279	1	42	0.0	-15.06	343.55	5.31	-9.75
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1Cl)C1=NNN=N1	REAL000000006280	1	41	0.0	-18.30	360.13	0.46	-17.84
CCCC(NC(=O)C1=CC(C(=O)OC)=C2CCCCN12)C1=NNN=N1	REAL000000006281	1	47	0.0	-15.29	376.44	5.48	-9.81
CCCC(NC(=O)C1CCC2=NNC(=O)N2C1)C1=NNN=N1	REAL000000006282	1	40	0.0	-13.59	320.21	1.15	-12.45
CCCC(NC(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C1=NNN=N1	REAL000000006293	1	39	0.0	-13.77	340.88	1.40	-12.37
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C=C1F)C1=NNN=N1	REAL000000006294	1	37	0.0	-11.93	328.16	3.53	-8.40
CCCC(NC(=O)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006295	1	44	0.0	-10.64	377.62	7.46	-3.19
CCCC(NC(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=NNN=N1	REAL000000006296	1	35	0.0	-8.65	308.19	3.37	-5.28
CCCC(NC(=O)CCC1=CC=C(CO)C=C1)C1=NNN=N1	REAL000000006297	1	43	0.0	-9.93	349.38	2.12	-7.81
CCCC(NC(=O)C1=NN2C=C(CCO)C=NC2=N1)C1=NNN=N1	REAL000000006298	1	41	0.0	-18.55	353.00	1.87	-16.68
CCCC(NC(=O)C1=NN2C(=C1)N=CC=C2C(F)(F)F)C1=NNN=N1	REAL000000006299	1	38	0.0	-15.43	343.15	3.33	-12.10
CCCC(NC(=O)C1=C(Br)C=NS1)C1=NNN=N1	REAL000000006300	1	29	0.0	-6.79	276.34	1.58	-5.21
CCCC(NC(=O)C1=C2C=NC=CN2C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000006301	1	38	0.0	-10.58	340.85	3.21	-7.37
CCCC(NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006302	1	57	0.0	-11.89	429.19	3.31	-8.58
CCCC(NC(=O)C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1)C1=NNN=N1	REAL000000006303	1	42	0.0	-18.69	382.36	5.37	-13.32
CCCC(NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006304	1	54	0.0	-17.43	418.20	1.80	-15.63
CCCC(NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006305	1	51	0.0	-18.62	404.49	1.74	-16.88
C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006306	1	55	0.0	-10.55	443.81	3.17	-7.39
CCCC(NC(=O)C[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006307	1	55	0.0	-11.16	428.18	2.88	-8.28
CCCC(NC(=O)C1(F)CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006308	1	53	0.0	-12.19	411.76	4.58	-7.61
CCCC(NC(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006309	1	56	0.0	-8.73	410.54	5.14	-3.59
CCCC(NC(=O)C1=C2NCCC(C(F)(F)F)N2N=C1)C1=NNN=N1	REAL000000006310	1	42	0.0	-13.90	353.80	2.37	-11.53
CCCC(NC(=O)C1=NC(NC(C)C)=NC=C1Br)C1=NNN=N1	REAL000000006311	1	42	0.0	-8.85	365.62	4.50	-4.36
CCCC(NC(=O)C1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1)C1=NNN=N1	REAL000000006312	1	57	0.0	-13.49	431.84	4.35	-9.13
C#CC1=CC=CC(NC(=O)CC(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000006323	1	42	0.0	-25.25	361.02	5.19	-20.06
CCCC(NC(=O)C(F)(F)C(O)C1=CC=CC=C1)C1=NNN=N1	REAL000000006324	1	40	0.0	-9.44	340.17	2.63	-6.81
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)C1=NNN=N1	REAL000000006325	1	51	0.0	-13.80	401.15	1.15	-12.65
CCCC(NC(=O)C1=CC(Br)=CC(N2C=CC=C2)=C1)C1=NNN=N1	REAL000000006326	1	41	0.0	-7.70	352.67	6.74	-0.96
CCCC(NC(=O)C12CC(C(=O)OC(C)(C)C)(C1)C2)C1=NNN=N1	REAL000000006327	1	49	0.0	-12.91	390.83	5.93	-6.98
CCCC(NC(=O)C1=NN(C)C(Cl)=C1C(F)(F)F)C1=NNN=N1	REAL000000006328	1	36	0.0	-12.00	331.42	2.81	-9.19
CCCC(NC(=O)CN1CCCC(C(F)(F)F)C1=O)C1=NNN=N1	REAL000000006329	1	43	0.0	-15.32	358.84	3.60	-11.72
CCCC(NC(=O)C1=CC=C2CCNC(=O)C2=C1)C1=NNN=N1	REAL000000006330	1	41	0.0	-17.94	330.11	1.79	-16.14
CCCC(NC(=O)C1=CN=C2C=NN(C)C2=C1)C1=NNN=N1	REAL000000006331	1	38	0.0	-12.76	321.88	1.71	-11.05
CCCC(NC(=O)C1=C2C=NC=CC2=CC(C)=C1)C1=NNN=N1	REAL000000006332	1	41	0.0	-14.67	334.85	4.76	-9.91
CCCC(NC(=O)CCOCCOC(C)(C)C)C1=NNN=N1	REAL000000006333	1	49	0.0	-10.91	387.65	2.80	-8.11
CCCC(NC(=O)C1=NN2C=C(Br)C=CC2=C1)C1=NNN=N1	REAL000000006334	1	36	0.0	-10.76	330.31	3.91	-6.85
CCCC(NC(=O)C1=CC2=C(CCC(C(C)C)C2)S1)C1=NNN=N1	REAL000000006335	1	49	0.0	-9.66	389.44	7.03	-2.64
CCCC(NC(=O)C1=CC2=C(C)C=C(Br)C=C2N1)C1=NNN=N1	REAL000000006336	1	40	0.0	-10.28	353.53	4.84	-5.44
CCCC(NC(=O)CCC1=CNC(C(=O)OC)=C1)C1=NNN=N1	REAL000000006337	1	43	0.0	-16.35	365.41	3.56	-12.79
CCCC(NC(=O)C1CCCC(NC2=CN=CC=N2)C1)C1=NNN=N1	REAL000000006338	1	49	0.0	-13.91	385.76	2.96	-10.95
CCCC(NC(=O)C1=CC=C(NC2=NC=CC=N2)C=C1)C1=NNN=N1	REAL000000006339	1	43	0.0	-11.88	352.27	5.87	-6.00
CCCC(NC(=O)C(C1=CSC=N1)N(C)C)C1=NNN=N1	REAL000000006340	1	40	0.0	-9.97	330.05	0.27	-9.69
CCCC(NC(=O)CC1=CC(Br)=CC(C)=N1)C1=NNN=N1	REAL000000006341	1	38	0.0	-10.15	331.64	3.59	-6.57
CCCC(NC(=O)C1=CC=C2CCC(=O)NC2=C1)C1=NNN=N1	REAL000000006342	1	41	0.0	-16.85	337.56	2.83	-14.02
C=CCCCC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000006353	1	46	0.0	-10.78	376.42	7.20	-3.58
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006354	1	43	0.0	-10.13	374.23	5.45	-4.68
CCCC(NC(=O)C1=CC=CC(C(=O)N2CCCCC2)=C1)C1=NNN=N1	REAL000000006355	1	50	0.0	-20.68	393.85	5.61	-15.06
CCCCCCCSC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000006356	1	55	0.0	-10.90	446.73	9.46	-1.43
CCCC(NC(=O)C1CCC2(CC2(F)F)CC1)C1=NNN=N1	REAL000000006357	1	43	0.0	-8.20	339.66	5.04	-3.16
CCCC(NC(=O)CN1CCCC2(CC2)S1(=O)=O)C1=NNN=N1	REAL000000006358	1	45	0.0	-20.10	370.95	1.48	-18.63
CCCC(NC(=O)C1=CC(C(=O)OCC)=NN1)C1=NNN=N1	REAL000000006359	1	39	0.0	-10.73	331.11	1.28	-9.44
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000006360	0	48	0.0	-60.49	378.08	6.47	-54.02
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL000000006360	1	48	0.0	-59.97	379.55	6.57	-53.40
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000006360	1	48	0.0	-60.48	378.02	6.47	-54.01
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL000000006360	1	48	0.0	-59.95	379.49	6.58	-53.38
CCCC(NC(=O)C(O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006361	1	57	0.0	-11.90	426.90	2.93	-8.97
CCCC(NC(=O)C1=CC=C(C2(O)COC2)C=C1)C1=NNN=N1	REAL000000006362	1	42	0.0	-13.42	343.55	0.71	-12.72
CCCC(NC(=O)CCC1=CN=CC(Br)=C1)C1=NNN=N1	REAL000000006373	1	38	0.0	-10.78	339.92	3.95	-6.83
CCCC(NC(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=NNN=N1	REAL000000006374	1	37	0.0	-11.68	323.37	3.30	-8.38
CCCCCCCCC1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000006375	1	57	0.0	-10.44	449.61	9.79	-0.65
CCCC(NC(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=NNN=N1	REAL000000006376	1	46	0.0	-12.20	363.71	5.35	-6.85
CCCC(NC(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=NNN=N1	REAL000000006377	1	44	0.0	-12.40	361.89	4.63	-7.77
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=NNN=N1	REAL000000006378	1	43	0.0	-21.57	357.99	5.38	-16.19
CCCC(NC(=O)C1=CC(C2=C(F)C=CC=C2F)=NO1)C1=NNN=N1	REAL000000006379	1	39	0.0	-12.77	344.18	4.77	-8.01
CCCCNC(=O)CSC1=CC=NC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000006380	1	52	0.0	-19.40	439.36	3.76	-15.64
CCCC(NC(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=NNN=N1	REAL000000006381	1	39	0.0	-16.16	339.55	0.26	-15.90
CCCC(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006382	1	50	0.0	-16.74	398.41	-0.75	-17.49
CCCC(NC(=O)C1=CC(C2CCOCC2)=NN1C)C1=NNN=N1	REAL000000006383	1	47	0.0	-8.51	365.76	2.41	-6.09
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1C)C1=NNN=N1	REAL000000006384	1	43	0.0	-15.35	362.04	5.66	-9.69
CCCC(NC(=O)C1=NN2C=CNC(=O)C2=C1)C1=NNN=N1	REAL000000006385	1	36	0.0	-19.46	313.65	0.30	-19.16
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1C)C1=NNN=N1	REAL000000006386	1	41	0.0	-12.61	338.16	3.07	-9.54
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=C1)C1=NNN=N1	REAL000000006387	1	43	0.0	-15.29	366.03	5.41	-9.88
CCCC(NC(=O)C1CCC(NC(C)=O)CC1)C1=NNN=N1	REAL000000006388	1	46	0.0	-14.08	356.27	1.92	-12.15
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C)N=C1)C1=NNN=N1	REAL000000006389	1	42	0.0	-11.26	339.60	2.43	-8.83
CCCC(NC(=O)C1=C(C)C(=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000006390	1	41	0.0	-13.18	343.03	4.61	-8.57
CCCC(NC(=O)C1=CC(NC(=O)NC)=CC=C1Cl)C1=NNN=N1	REAL000000006391	1	42	0.0	-14.53	354.30	1.37	-13.16
CCCC(NC(=O)C1=CC=C(C)C(OC(F)F)=C1)C1=NNN=N1	REAL000000006392	1	40	0.0	-16.03	337.02	3.98	-12.05
CCCC(NC(=O)C1=C(C)C(C(F)(F)F)=NN1)C1=NNN=N1	REAL000000006403	1	36	0.0	-10.50	317.07	1.74	-8.76
CCCC(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006404	1	47	0.0	-13.74	379.28	-0.94	-14.68
CCCC(NC(=O)C1=COC(C2CN(C(=O)OC(C)(C)C)C2)=N1)C1=NNN=N1	REAL000000006405	1	53	0.0	-14.45	433.91	1.38	-13.07
CCCC(NC(=O)C1=CSC(C2=CNC=N2)=N1)C1=NNN=N1	REAL000000006406	1	36	0.0	-17.26	326.27	1.99	-15.27
CCCC(NC(=O)CC1=NC(C(F)(F)F)=CS1)C1=NNN=N1	REAL000000006407	1	35	0.0	-13.85	327.78	2.45	-11.40
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1C)C1=NNN=N1	REAL000000006408	1	42	0.0	-9.45	341.31	4.67	-4.78
CCCC(NC(=O)C1=CC=C(C(=O)OC)C=C1Cl)C1=NNN=N1	REAL000000006409	1	39	0.0	-14.67	344.97	4.83	-9.84
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C1=NNN=N1	REAL000000006410	1	58	0.0	-15.95	439.99	4.48	-11.48
CCCC(NC(=O)CC1CC2(CN(C(=O)OC(C)(C)C)C2)CO1)C1=NNN=N1	REAL000000006411	1	58	0.0	-19.61	452.80	3.90	-15.70
CCCC(NC(=O)[C@H]1CC[C@@H](NC(C)=O)CC1)C1=NNN=N1	REAL000000006412	1	46	0.0	-13.84	359.03	2.68	-11.17
CCCC(NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006423	1	52	0.0	-14.84	416.17	3.02	-11.82
CCCC(NC(=O)C1=CC(OC)=C(N)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006424	1	41	0.0	-10.79	344.77	1.82	-8.97
CCCC(NC(=O)CC1=C2N=CC=CC2=C(Cl)C=C1)C1=NNN=N1	REAL000000006425	1	41	0.0	-14.62	356.83	5.27	-9.35
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCCC1)C1=NNN=N1	REAL000000006426	1	59	0.0	-12.00	436.03	4.34	-7.66
CCCC(NC(=O)C1=CC=C(C2CCC2)N=C1)C1=NNN=N1	REAL000000006427	1	42	0.0	-10.30	338.55	4.41	-5.89
CCCC(NC(=O)C1=CN2C=C(C)N=C2S1)C1=NNN=N1	REAL000000006428	1	36	0.0	-11.88	319.68	4.12	-7.76
CCCC(NC(=O)C(CC)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000006429	1	42	0.0	-10.20	354.58	6.06	-4.14
CCCC(NC(=O)C(O)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000006430	1	37	0.0	-10.47	326.68	2.90	-7.57
CCCC(NC(=O)C1CC2=CC(C)=CC=C2S1)C1=NNN=N1	REAL000000006431	1	41	0.0	-9.43	340.14	5.50	-3.93
CCCC(NC(=O)CC1=CC=C(C2CCC2)C=C1)C1=NNN=N1	REAL000000006432	1	46	0.0	-11.28	368.12	6.93	-4.35
CCCC(NC(=O)C1=C(C(F)(F)F)OC2=CC=CC=C21)C1=NNN=N1	REAL000000006433	1	39	0.0	-10.96	348.44	5.02	-5.94
CCCC(NC(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000006434	1	41	0.0	-10.74	349.49	4.99	-5.75
CCCC(NC(=O)C1=CC=C2C=CC=C(O)C2=C1)C1=NNN=N1	REAL000000006435	1	40	0.0	-14.50	333.79	3.12	-11.37
CCCC(NC(=O)C1C2OCCN(C(=O)OC(C)(C)C)C21)C1=NNN=N1	REAL000000006436	1	52	0.0	-11.73	402.09	3.93	-7.80
CCCC(NC(=O)C[C@H](COC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006437	1	53	0.0	-14.79	420.67	1.56	-13.23
CCCC(NC(=O)C1=CN=C(C2CC2)C=C1C)C1=NNN=N1	REAL000000006438	1	42	0.0	-9.89	338.77	4.62	-5.28
CCCC(NC(=O)C1=CC=C2CNC(=O)NC2=C1)C1=NNN=N1	REAL000000006439	1	40	0.0	-14.44	324.84	0.41	-14.03
CCCC(NC(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=NNN=N1	REAL000000006440	1	46	0.0	-12.39	366.20	5.49	-6.90
CCCC(NC(=O)C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1)C1=NNN=N1	REAL000000006441	1	49	0.0	-12.67	401.66	4.35	-8.32
CCCC(NC(=O)C1C2CCCN(C(=O)OC(C)(C)C)C21)C1=NNN=N1	REAL000000006442	1	54	0.0	-15.93	403.75	5.88	-10.06
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000006443	1	50	0.0	-10.50	388.52	3.44	-7.05
CCCC(NC(=O)C[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006444	1	55	0.0	-14.51	435.21	3.30	-11.20
CCCC(NC(=O)C1COC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NNN=N1	REAL000000006445	1	55	0.0	-12.16	424.33	2.57	-9.58
CCCC(NC(=O)C1=NN2C=C(Br)C=CC2=N1)C1=NNN=N1	REAL000000006446	1	35	0.0	-11.75	317.94	3.50	-8.25
CCCC(NC(=O)C1=CSC(COC2=CC=CC=C2)=N1)C1=NNN=N1	REAL000000006447	1	43	0.0	-11.70	376.79	3.97	-7.73
CCCC(NC(=O)CC(C)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000006448	1	45	0.0	-7.09	351.41	5.90	-1.19
CCCC(NC(=O)C#CC12CC3CC(CC(C3)C1)C2)C1=NNN=N1	REAL000000006450	1	49	0.0	-9.54	373.64	6.92	-2.62
CCCC(NC(=O)C1=CC2=CC=C(Br)C(F)=C2N1)C1=NNN=N1	REAL000000006451	1	37	0.0	-7.92	331.25	3.91	-4.00
CCCC(NC(=O)C1=CC2=C(N1)C(C)=C(C)O2)C1=NNN=N1	REAL000000006452	1	40	0.0	-13.51	333.32	3.09	-10.41
CCCC(NC(=O)C1=CC(=O)C(OC)=CN1C)C1=NNN=N1	REAL000000006463	1	40	0.0	-17.50	320.39	2.59	-14.91
CCCC(NC(=O)CN1N=C(C(F)(F)F)C2=C1CCC2)C1=NNN=N1	REAL000000006464	1	43	0.0	-16.76	370.78	4.53	-12.23
CCCC(NC(=O)C1=COC2=C1C(=O)NCC2)C1=NNN=N1	REAL000000006465	1	38	0.0	-21.11	310.53	1.25	-19.86
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=CS1)C1=NNN=N1	REAL000000006466	1	40	0.0	-11.87	352.15	6.21	-5.65
CCCC(NC(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=NNN=N1	REAL000000006467	1	39	0.0	-13.42	341.33	2.45	-10.97
CCCC(NC(=O)COCCC1=CC=CS1)C1=NNN=N1	REAL000000006468	1	40	0.0	-12.90	348.56	4.58	-8.32
CCCC(NC(=O)CC1=C(C)C=C(Br)C=C1C)C1=NNN=N1	REAL000000006469	1	42	0.0	-11.78	357.74	5.99	-5.79
CCCC(NC(=O)C1=CN2C=CC=C(Br)C2=N1)C1=NNN=N1	REAL000000006470	1	36	0.0	-14.31	329.51	4.68	-9.63
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=NNN=N1	REAL000000006471	1	47	0.0	-8.41	363.50	7.15	-1.26
CCCC(NC(=O)C1=C(F)C=C2OC=CC2=C1)C1=NNN=N1	REAL000000006472	1	36	0.0	-11.09	302.41	3.74	-7.34
CCCC(NC(=O)C1=CN=CC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000006473	1	52	0.0	-13.71	420.66	2.28	-11.43
CCCC(NC(=O)C1=C(Br)C=NN1CC)C1=NNN=N1	REAL000000006474	1	36	0.0	-11.11	326.34	2.77	-8.34
CCCC(NC(=O)C1=NN(CC)C=C1Br)C1=NNN=N1	REAL000000006475	1	36	0.0	-12.71	323.88	2.94	-9.77
CCCC(NC(=O)[C@H]1CC[C@H](NC(C)=O)CC1)C1=NNN=N1	REAL000000006476	1	46	0.0	-13.59	356.00	1.93	-11.66
CCCC(NC(=O)C1=C(Cl)N(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000006477	1	40	0.0	-13.21	351.56	5.08	-8.13
CCCC(NC(=O)C1=CC=C(C2CCCC(=O)N2)C=C1)C1=NNN=N1	REAL000000006478	1	47	0.0	-12.75	371.55	3.72	-9.03
CCCC(NC(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000006479	1	46	0.0	-15.51	386.60	5.98	-9.53
CCCC(NC(=O)C1=CC=C2N=NC(C)=C(C)C2=C1)C1=NNN=N1	REAL000000006480	1	43	0.0	-14.59	349.90	4.03	-10.56
CCCC(NC(=O)C1CCCNS1(=O)=O)C1=NNN=N1	REAL000000006481	1	38	0.0	-14.85	311.82	-2.60	-17.45
CCCC(NC(=O)C1=CC=C2OC(C)C(C)C2=C1)C1=NNN=N1	REAL000000006482	1	44	0.0	-8.48	343.96	4.46	-4.02
CCCC(NC(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=NNN=N1	REAL000000006483	1	39	0.0	-15.18	334.32	3.22	-11.96
CCCC(NC(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006484	1	49	0.0	-10.09	383.70	1.82	-8.27
CCCC(NC(=O)C1=C(C)N=C(CNC(=O)OC(C)(C)C)S1)C1=NNN=N1	REAL000000006485	1	52	0.0	-12.07	430.35	1.90	-10.16
CCCC(NC(=O)CC1=CNC2=CC(OC)=CC=C12)C1=NNN=N1	REAL000000006486	1	44	0.0	-15.36	363.69	3.70	-11.66
CCCC(NC(=O)CCC1=CC=C(Cl)C=C1Br)C1=NNN=N1	REAL000000006487	1	39	0.0	-10.37	357.71	6.12	-4.25
CCCC(NC(=O)C(CNC(=O)OC(C)(C)C)C1CCOC1)C1=NNN=N1	REAL000000006488	1	57	0.0	-15.97	437.39	2.15	-13.82
CCCC(NC(=O)CC[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006489	1	59	0.0	-16.95	440.55	5.77	-11.18
CCCC(NC(=O)CCC1=C2CCCCC2=NN1)C1=NNN=N1	REAL000000006490	1	46	0.0	-11.99	366.39	3.89	-8.10
CCCC(NC(=O)C1=CC(Cl)=C2N=CC=CC2=C1F)C1=NNN=N1	REAL000000006491	1	38	0.0	-13.51	338.56	4.70	-8.81
CCCC(NC(=O)C=CC1=CC=C(C(F)F)O1)C1=NNN=N1	REAL000000006492	1	37	0.0	-11.76	329.49	4.12	-7.63
CCCC(NC(=O)CCC1=CC=C(Cl)N=C1)C1=NNN=N1	REAL000000006493	1	38	0.0	-9.87	328.28	3.44	-6.43
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NNN=N1	REAL000000006494	1	44	0.0	-10.12	349.23	4.18	-5.93
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1C)C1=NNN=N1	REAL000000006495	1	40	0.0	-10.39	338.26	4.22	-6.18
CCCC(NC(=O)C=C1CCCC(C(F)(F)F)C1)C1=NNN=N1	REAL000000006496	1	43	0.0	-6.64	343.23	5.07	-1.58
CCCC(NC(=O)C=C1C2CC3CC(C2)CC1C3)C1=NNN=N1	REAL000000006497	1	48	0.0	-8.85	354.14	6.19	-2.66
CCCC(NC(=O)C=C(C)C1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000006498	1	42	0.0	-12.74	360.46	6.32	-6.41
CCCC(NC(=O)C(C)=CC1=CC=C([N+](=O)[O-])C=C1)C1=NNN=N1	REAL000000006499	1	42	0.0	-13.91	353.07	6.10	-7.81
CCCCCCCCCC=CC(=O)NC(CCC)C1=NNN=N1	REAL000000006500	1	54	0.0	-9.57	427.50	8.21	-1.36
CCCC(NC(=O)C1=NC=C(Br)C=C1C)C1=NNN=N1	REAL000000006501	1	35	0.0	-7.67	312.33	3.22	-4.46
CCCC(NC(=O)C(C)C1=CC=CC(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006502	1	42	0.0	-10.52	357.03	5.88	-4.64
CCCC(NC(=O)C1CCCC12CCOCC2)C1=NNN=N1	REAL000000006503	1	47	0.0	-9.58	347.76	3.56	-6.03
CCCC(NC(=O)C1=CN=C(OC)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000006504	1	39	0.0	-11.98	342.47	1.47	-10.51
CCCC(NC(=O)C(F)C1CCCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006505	1	59	0.0	-12.23	447.58	6.38	-5.86
CCCC(NC(=O)CC(CNC(=O)OC(C)(C)C)C1CCC1)C1=NNN=N1	REAL000000006506	1	59	0.0	-11.72	443.21	5.12	-6.59
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)F)C1=NNN=N1	REAL000000006507	1	53	0.0	-13.35	423.76	4.46	-8.89
CCCC(NC(=O)C1CC(NC(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000006508	1	54	0.0	-11.64	414.73	2.11	-9.53
CCCC(NC(=O)C1=CC=C(C2=NOC(CCOC)=N2)C=C1)C1=NNN=N1	REAL000000006509	1	48	0.0	-13.50	405.09	2.81	-10.69
CCCC(NC(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=NNN=N1	REAL000000006510	1	41	0.0	-16.87	343.83	1.66	-15.21
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2C(=O)N1)C1=NNN=N1	REAL000000006511	1	39	0.0	-12.15	350.03	3.56	-8.58
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2C=N1)C1=NNN=N1	REAL000000006512	1	54	0.0	-18.44	425.75	5.23	-13.21
CCCC(NC(=O)C(CC1CCCCO1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006513	1	60	0.0	-10.50	447.81	3.44	-7.05
CCCC(NC(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=NNN=N1	REAL000000006514	1	38	0.0	-21.77	338.22	3.25	-18.52
CCCC(NC(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=NNN=N1	REAL000000006515	1	43	0.0	-12.70	355.55	6.25	-6.44
CCCC(NC(=O)CC1=CC=C2N=CC=CC2=C1)C1=NNN=N1	REAL000000006516	1	41	0.0	-16.37	343.48	4.68	-11.69
CCCC(NC(=O)C1=CC(C2CCC2)=NN1C)C1=NNN=N1	REAL000000006518	1	43	0.0	-10.89	345.47	3.95	-6.94
CCCC(NC(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=NNN=N1	REAL000000006519	1	33	0.0	-8.69	324.03	4.75	-3.94
CCCC(NC(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=NNN=N1	REAL000000006520	1	42	0.0	-13.73	348.43	4.80	-8.93
CCCC(NC(=O)C1CC2(C1)CC(C(=O)OC)C2)C1=NNN=N1	REAL000000006521	1	46	0.0	-10.89	365.56	4.85	-6.05
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C1=NNN=N1	REAL000000006522	1	36	0.0	-9.36	329.54	5.07	-4.29
CCCC(NC(=O)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1)C1=NNN=N1	REAL000000006523	1	45	0.0	-20.66	381.46	5.38	-15.28
CCCC(NC(=O)C1=CC(NC(C)=O)=CN=C1C)C1=NNN=N1	REAL000000006524	1	42	0.0	-12.62	337.79	1.12	-11.50
CCCC(NC(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=NNN=N1	REAL000000006525	1	40	0.0	-7.21	328.18	5.35	-1.86
CCCC(NC(=O)C1=C2N=C(C)C=C(C)N2C=C1)C1=NNN=N1	REAL000000006527	1	42	0.0	-21.43	348.25	5.50	-15.93
CCCC(NC(=O)C1=C(C(C)C)SC(Cl)=N1)C1=NNN=N1	REAL000000006528	1	38	0.0	-8.12	339.87	3.33	-4.79
CCCC(NC(=O)CCC1=CC=C2OCC(=O)NC2=C1)C1=NNN=N1	REAL000000006529	1	45	0.0	-15.04	374.51	2.36	-12.67
CCCC(NC(=O)CSCCC(F)(F)F)C1=NNN=N1	REAL000000006530	1	36	0.0	-12.06	326.50	3.86	-8.21
CCCC(NC(=O)[C@@H](CC1=CC=CC=N1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006531	1	55	0.0	-18.65	440.10	4.47	-14.18
CCCC(NC(=O)C(C)CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006532	1	52	0.0	-12.81	406.53	2.42	-10.39
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCC2)C1=NNN=N1	REAL000000006533	1	57	0.0	-14.60	436.43	5.40	-9.20
CCCC(NC(=O)CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006534	1	56	0.0	-14.63	421.67	4.75	-9.88
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCOCC1)C1=NNN=N1	REAL000000006535	1	60	0.0	-14.86	448.77	3.21	-11.65
CCCC(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006536	1	49	0.0	-13.70	380.67	3.67	-10.03
CCCC(NC(=O)CO[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006537	1	60	0.0	-17.62	464.46	4.15	-13.47
CCCC(NC(=O)CON1C(=O)C2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000006538	1	41	0.0	-17.38	354.53	4.01	-13.37
CCCC(NC(=O)[C@@H]1C[C@@H]1C1=NC2=CC=CN=C2N1)C1=NNN=N1	REAL000000006539	1	42	0.0	-19.97	349.28	3.35	-16.62
CCCC(NC(=O)C1CCCC2=C1N(C)N=N2)C1=NNN=N1	REAL000000006540	1	42	0.0	-17.85	334.47	1.98	-15.87
CCCC(NC(=O)C1=NC(Br)=CS1)C1=NNN=N1	REAL000000006541	1	29	0.0	-8.42	287.44	1.26	-7.16
CCCC(NC(=O)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000006542	1	46	0.0	-8.85	386.89	6.35	-2.50
CCCC(NC(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=NNN=N1	REAL000000006543	1	39	0.0	-10.91	340.32	4.68	-6.23
CCCC(NC(=O)CC1=CC=C(OCC)C=N1)C1=NNN=N1	REAL000000006544	1	42	0.0	-12.01	340.09	2.58	-9.44
CCCC(NC(=O)C(O)C1=CC=C(C2CC2)C=C1)C1=NNN=N1	REAL000000006545	1	44	0.0	-10.69	359.69	4.47	-6.23
CCCC(NC(=O)C1CC2=CC(C)=CC=C2S1(=O)=O)C1=NNN=N1	REAL000000006546	1	43	0.0	-19.98	365.31	2.16	-17.82
CCCC(NC(=O)CC(NC1CC1)C(F)(F)F)C1=NNN=N1	REAL000000006547	1	41	0.0	-9.37	345.68	2.16	-7.21
CCCC(NC(=O)C1=CC2=C(F)C(Br)=CC=C2N1)C1=NNN=N1	REAL000000006548	1	37	0.0	-10.19	331.35	3.92	-6.27
CCCC(NC(=O)C1=CC2=C(C)C=C(OC)C=C2N1)C1=NNN=N1	REAL000000006549	1	44	0.0	-11.87	361.63	3.53	-8.33
CCCC(NC(=O)C1=CC2=CC=C(Cl)C(F)=C2N1)C1=NNN=N1	REAL000000006550	1	37	0.0	-10.32	334.04	4.14	-6.18
CCCC(NC(=O)C1=C2C=NN(C)C2=NC=N1)C1=NNN=N1	REAL000000006551	1	37	0.0	-10.88	316.92	2.57	-8.31
CCCC(NC(=O)C1=CC=C(C2(F)COC2)C=C1)C1=NNN=N1	REAL000000006552	1	41	0.0	-13.95	340.06	3.51	-10.44
CCCC(NC(=O)C1=C2C=CC(C)=C(Cl)C2=NC=C1)C1=NNN=N1	REAL000000006553	1	41	0.0	-10.35	341.32	4.88	-5.47
CCCC(NC(=O)CN1C=CC2=CC=C(Br)C=C21)C1=NNN=N1	REAL000000006554	1	40	0.0	-14.38	356.79	6.40	-7.98
CCCC(NC(=O)C1CCOC2(CCOCC2)C1)C1=NNN=N1	REAL000000006555	1	48	0.0	-12.16	360.37	2.26	-9.91
CCCC(NC(=O)CCC1=NN=C2C=CC(OC)=NN21)C1=NNN=N1	REAL000000006557	1	44	0.0	-13.77	366.04	1.57	-12.20
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006559	1	55	0.0	-9.76	422.94	3.45	-6.31
CCCC(NC(=O)[C@H](CC1=CC=NC=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006560	1	55	0.0	-10.29	419.09	2.27	-8.02
CCCC(NC(=O)C1=COC2=CC=CC=C2O1)C1=NNN=N1	REAL000000006562	1	37	0.0	-16.67	314.05	4.34	-12.33
CCCC(NC(=O)C1CC(=O)C2=CC=CC=C2O1)C1=NNN=N1	REAL000000006563	1	40	0.0	-13.70	336.86	4.44	-9.25
CCCC(NC(=O)C1=C(C)SC(Br)=C1)C1=NNN=N1	REAL000000006564	1	33	0.0	-8.24	308.79	4.11	-4.13
CCCC(NC(=O)C1=CC2=C(C)C=C(OC)C=C2O1)C1=NNN=N1	REAL000000006565	1	43	0.0	-8.36	352.13	3.66	-4.69
CCCC(NC(=O)C(CC1CC=CCC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006566	1	60	0.0	-13.09	456.03	6.54	-6.56
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CCOC1)C1=NNN=N1	REAL000000006567	1	57	0.0	-14.23	433.54	2.76	-11.47
CCCC(NC(=O)C1=CC2=CC=NC=C2C(=O)N1)C1=NNN=N1	REAL000000006568	1	38	0.0	-11.30	316.48	0.86	-10.44
CCCC(NC(=O)C(F)(F)C1(O)CCOCC1)C1=NNN=N1	REAL000000006569	1	41	0.0	-7.08	328.07	0.40	-6.67
CCCC(NC(=O)C1=C(Br)C(C(F)(F)F)=NN1)C1=NNN=N1	REAL000000006570	1	33	0.0	-11.30	319.85	1.74	-9.56
CCCC(NC(=O)CS(=O)(=O)CCC(F)(F)F)C1=NNN=N1	REAL000000006571	1	38	0.0	-24.37	344.97	0.41	-23.96
CCCC(NC(=O)C1=CC=C2NC(N(C)C)=NC2=C1)C1=NNN=N1	REAL000000006572	1	44	0.0	-18.45	359.85	5.46	-12.99
CCCC(NC(=O)C1=CC(=O)NC2=NC=CC=C12)C1=NNN=N1	REAL000000006574	1	38	0.0	-10.60	312.89	1.48	-9.11
CCCC(NC(=O)C1=C(Br)N2C=CC=CC2=N1)C1=NNN=N1	REAL000000006575	1	36	0.0	-13.53	326.71	4.60	-8.93
CCCC(NC(=O)C1=NC2=C(COCC2)S1)C1=NNN=N1	REAL000000006576	1	37	0.0	-14.47	319.78	0.91	-13.56
CCCC(NC(=O)CC[C@]1(C)CCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006577	1	59	0.0	-17.20	445.29	6.56	-10.64
CCCC(NC(=O)CC(CC)CC1=CC=CC=C1)C1=NNN=N1	REAL000000006578	1	48	0.0	-10.79	376.58	6.95	-3.84
CCCC(NC(=O)C1=CC=C(O)C(CC=C(C)C)=C1)C1=NNN=N1	REAL000000006579	1	47	0.0	-8.70	374.31	3.93	-4.77
CCCC(NC(=O)C1=COC2=C1NC(=O)CCC2)C1=NNN=N1	REAL000000006580	1	41	0.0	-17.95	337.76	1.31	-16.64
CCCC(NC(=O)C(C)C1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000006581	1	39	0.0	-10.04	333.65	5.13	-4.92
CCCC(NC(=O)C1=C2C=CC=C(C)C2=CC=N1)C1=NNN=N1	REAL000000006582	1	41	0.0	-11.25	333.77	4.71	-6.53
CCCC(NC(=O)C1=C(Cl)N=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000006583	1	38	0.0	-15.99	331.65	4.47	-11.52
CCCC(NC(=O)C1=C(Cl)N=C2C=C(F)C=CC2=C1)C1=NNN=N1	REAL000000006584	1	38	0.0	-16.65	338.04	4.54	-12.12
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2NC1=O)C1=NNN=N1	REAL000000006585	1	39	0.0	-12.79	333.32	3.06	-9.73
CCCC(NC(=O)CN1N=CC2=NC=CC=C21)C1=NNN=N1	REAL000000006586	1	38	0.0	-19.29	325.70	2.00	-17.29
CCCC(NC(=O)CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)C1=NNN=N1	REAL000000006587	1	52	0.0	-15.07	429.87	8.81	-6.26
CCCC(NC(=O)C1=C2C=C(F)C=CC2=CN=C1)C1=NNN=N1	REAL000000006588	1	38	0.0	-14.67	320.84	4.22	-10.45
CCCC(NC(=O)C1=CC=CC(Br)=C1OC)C1=NNN=N1	REAL000000006589	1	37	0.0	-13.35	327.24	4.90	-8.45
CCCC(NC(=O)C1=C2NC=C(C#N)C2=CC=C1)C1=NNN=N1	REAL000000006590	1	38	0.0	-13.74	328.02	4.32	-9.42
CCCC(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006591	1	52	0.0	-15.27	420.88	5.10	-10.17
CCCC(NC(=O)C1=C(C2CN(C(=O)OC(C)(C)C)C2)OC=N1)C1=NNN=N1	REAL000000006592	1	53	0.0	-15.25	429.65	1.48	-13.77
CCCC(NC(=O)CN1C=CC2=C(N)C=CC=C21)C1=NNN=N1	REAL000000006593	1	42	0.0	-16.48	350.34	3.67	-12.81
CCCC(NC(=O)C1=CC(C(=O)OC(C)(C)C)=NN1)C1=NNN=N1	REAL000000006594	1	45	0.0	-10.50	364.13	2.40	-8.10
CCCC(NC(=O)[C@@H]1CSCN1C(=O)CC)C1=NNN=N1	REAL000000006597	1	41	0.0	-15.45	341.29	3.77	-11.68
CCCC(NC(=O)C1=CC2=C(S1)C(Br)=CS2)C1=NNN=N1	REAL000000006598	1	33	0.0	-9.12	328.45	4.76	-4.36
CCCC(NC(=O)C1=CC=CC(OC(C)C)=C1Cl)C1=NNN=N1	REAL000000006599	1	43	0.0	-14.77	358.79	5.08	-9.69
CCCC(NC(=O)CC1=CN=CC(Br)=C1)C1=NNN=N1	REAL000000006600	1	35	0.0	-13.02	318.53	3.15	-9.87
CCCC(NC(=O)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)C1=NNN=N1	REAL000000006601	1	47	0.0	-13.11	386.37	7.22	-5.89
CCCC(NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006602	1	53	0.0	-12.86	411.15	3.15	-9.71
CCCC(NC(=O)C1=CC=C(C2=CNN=C2)C=C1)C1=NNN=N1	REAL000000006603	1	40	0.0	-15.70	334.76	3.64	-12.06
CCCC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006604	1	48	0.0	-12.06	385.24	3.60	-8.46
CCCC(NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006605	1	62	0.0	-11.73	453.93	5.49	-6.24
CCCC(NC(=O)C(CN1C=NC=N1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006606	1	52	0.0	-15.84	413.57	3.92	-11.92
CCCC(NC(=O)C1=CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006607	1	51	0.0	-12.94	397.33	4.55	-8.39
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC)C1=NNN=N1	REAL000000006608	1	50	0.0	-9.97	394.86	2.49	-7.48
CCCC(NC(=O)C(O)C1=CC=C(F)C=C1C)C1=NNN=N1	REAL000000006609	1	40	0.0	-11.63	329.03	3.13	-8.51
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C1=NNN=N1	REAL000000006610	1	50	0.0	-9.46	382.62	-1.67	-11.13
CCCC(NC(=O)C1=C(C(C)=O)NC2=CC=CC=C21)C1=NNN=N1	REAL000000006611	1	42	0.0	-17.73	355.91	4.04	-13.69
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC2=CNN=C21)C1=NNN=N1	REAL000000006612	1	54	0.0	-16.50	420.58	3.77	-12.73
CCCC(NC(=O)C1CC2CC1CC2NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006613	1	57	0.0	-16.81	430.40	3.96	-12.85
CCCC(NC(=O)CC(CC1CCCC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006614	1	62	0.0	-16.07	469.93	5.60	-10.47
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C1=NNN=N1	REAL000000006615	1	62	0.0	-9.03	474.34	3.81	-5.23
CCCC(NC(=O)C1=NN(C)C(C(F)(F)F)=C1Br)C1=NNN=N1	REAL000000006616	1	36	0.0	-10.49	336.54	2.78	-7.72
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1F)C1=NNN=N1	REAL000000006617	1	36	0.0	-15.47	321.02	4.91	-10.56
CCCC(NC(=O)C1=C2C=COC2=CC=C1F)C1=NNN=N1	REAL000000006618	1	36	0.0	-11.09	308.16	3.55	-7.54
CCCC(NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006619	1	53	0.0	-9.13	399.36	4.25	-4.88
CCCC(NC(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=NNN=N1	REAL000000006620	1	38	0.0	-14.55	324.24	0.85	-13.70
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)OC)=N1)C1=NNN=N1	REAL000000006621	1	42	0.0	-8.94	353.25	1.54	-7.40
CCCC(NC(=O)CC1(COC)CCOCC1)C1=NNN=N1	REAL000000006622	1	47	0.0	-6.47	346.51	1.33	-5.14
CCCC(NC(=O)[C@@H]1CC2=CN=CN2C(=O)N1)C1=NNN=N1	REAL000000006623	1	38	0.0	-22.58	319.22	1.75	-20.83
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=NNN=N1	REAL000000006624	1	43	0.0	-13.81	364.31	4.02	-9.79
CCCC(NC(=O)C1=C2N=C(C)C=C(C(F)F)N2N=C1)C1=NNN=N1	REAL000000006625	1	41	0.0	-24.78	358.03	3.98	-20.79
CCCC(NC(=O)C1=CC2=C(C=C1Cl)OCO2)C1=NNN=N1	REAL000000006626	1	36	0.0	-8.34	309.06	2.53	-5.81
CCCC(NC(=O)C1=C2C=CC=C(C(F)(F)F)C2=CN=C1)C1=NNN=N1	REAL000000006627	1	41	0.0	-7.90	341.28	4.64	-3.26
CCCC(NC(=O)C1=C(C(C)C)N2CCCCC2=N1)C1=NNN=N1	REAL000000006628	1	49	0.0	-12.69	374.98	5.31	-7.38
CCCC(NC(=O)C1=CC(C)=NC2=NC=NN21)C1=NNN=N1	REAL000000006629	1	37	0.0	-14.08	314.38	5.58	-8.51
CCCC(NC(=O)C1=CN=C(C2CCC2)C=C1C)C1=NNN=N1	REAL000000006630	1	45	0.0	-9.58	354.85	5.10	-4.48
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)C)C2=CC=CC=C21)C1=NNN=N1	REAL000000006631	1	52	0.0	-9.41	397.63	7.73	-1.68
CCCC(NC(=O)C1COC2=CC=CC(OC)=C2C1)C1=NNN=N1	REAL000000006632	1	45	0.0	-13.18	360.70	3.55	-9.63
CCCC(NC(=O)C1=CC2=C(Br)C=CC(Cl)=C2N1)C1=NNN=N1	REAL000000006633	1	37	0.0	-10.20	349.23	4.68	-5.52
CCCC(NC(=O)C1=CC2=C(C)C(F)=CC=C2N1)C1=NNN=N1	REAL000000006634	1	40	0.0	-11.96	337.49	4.26	-7.70
CCCC(NC(=O)C1=CC2=C(C)C(Cl)=CC=C2N1)C1=NNN=N1	REAL000000006635	1	40	0.0	-11.23	346.19	4.65	-6.58
CCCC(NC(=O)C1=C(C)N=C(COC2=CC=CC=C2)S1)C1=NNN=N1	REAL000000006636	1	46	0.0	-12.31	393.71	4.74	-7.57
CCCC(NC(=O)C1=NN2CCNC(=O)C2=C1)C1=NNN=N1	REAL000000006637	1	38	0.0	-15.85	315.31	-1.32	-17.16
CCCC(NC(=O)C1=C(C)C=C2N=CC=NC2=C1)C1=NNN=N1	REAL000000006638	1	40	0.0	-12.61	329.65	2.78	-9.83
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)C1=NNN=N1	REAL000000006639	1	44	0.0	-11.86	373.47	4.37	-7.49
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(=O)CC1)C1=NNN=N1	REAL000000006640	1	47	0.0	-10.86	381.25	4.65	-6.22
CCCC(NC(=O)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000006641	1	42	0.0	-10.98	366.64	5.97	-5.02
CCCC(NC(=O)C1CCC2C(CC1)C2(F)F)C1=NNN=N1	REAL000000006642	1	43	0.0	-12.78	330.79	5.14	-7.64
CCCC(NC(=O)C1=NN(CCOCCOC)C=C1)C1=NNN=N1	REAL000000006643	1	47	0.0	-13.47	393.82	1.61	-11.85
CCCC(NC(=O)C1=CC=NN1CCOCCOC)C1=NNN=N1	REAL000000006644	1	47	0.0	-10.95	382.09	1.19	-9.76
CCCC(NC(=O)C1=CC=C(CCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000006645	1	49	0.0	-11.87	402.02	8.87	-3.00
CCCC(NC(=O)C1=CC=CC2=C1CNC2=O)C1=NNN=N1	REAL000000006646	1	38	0.0	-15.25	318.43	1.09	-14.16
CCCC(NC(=O)C1=NN(CCC(F)(F)F)C=C1)C1=NNN=N1	REAL000000006647	1	39	0.0	-12.87	344.29	3.44	-9.43
CCCC(NC(=O)C1=CC=C(C(F)C(F)(F)F)C=C1)C1=NNN=N1	REAL000000006648	1	39	0.0	-8.75	334.69	5.11	-3.64
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=NNN=N1	REAL000000006649	1	39	0.0	-8.84	333.03	4.09	-4.75
CCCC(NC(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=NNN=N1	REAL000000006650	1	47	0.0	-11.86	367.11	5.72	-6.15
CCCC(NC(=O)C(CC1CCCCC1)C1=CC=CC=C1)C1=NNN=N1	REAL000000006651	1	55	0.0	-8.66	420.36	8.69	0.03
CCCC(NC(=O)C(C)C(C)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000006652	1	45	0.0	-10.60	364.86	6.42	-4.18
CCCC(NC(=O)C1=CC=C(CC2CCC2)C=C1)C1=NNN=N1	REAL000000006653	1	46	0.0	-10.54	368.85	7.18	-3.36
CCCC(NC(=O)C1=CC=C(F)C(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000006654	1	37	0.0	-13.15	329.92	3.52	-9.62
CCCC(NC(=O)C1=CC=C2N=C(N(C)C)OC2=C1)C1=NNN=N1	REAL000000006655	1	43	0.0	-11.92	349.70	1.91	-10.00
CCCC(NC(=O)C1=CC=C(S(C)(=N)=O)C=C1)C1=NNN=N1	REAL000000006656	1	40	0.0	-19.40	335.63	0.01	-19.40
CCCC(NC(=O)C(O)C1=CC=C(Cl)C(Br)=C1)C1=NNN=N1	REAL000000006658	1	37	0.0	-9.74	338.92	3.04	-6.70
CCCC(NC(=O)C1=NN(C)C(C)=C1Br)C1=NNN=N1	REAL000000006659	1	36	0.0	-13.26	321.22	2.54	-10.72
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1F)C1=NNN=N1	REAL000000006660	1	36	0.0	-16.54	323.52	4.72	-11.82
CCCC(NC(=O)CC1(CNC(C)=O)CCCCC1)C1=NNN=N1	REAL000000006661	1	52	0.0	-17.89	386.07	3.43	-14.46
CCCC(NC(=O)C1CC(C)(C)OC(C)(C)C1)C1=NNN=N1	REAL000000006662	1	49	0.0	-7.03	362.28	3.85	-3.18
CCCC(NC(=O)C1=CC=NC(Br)=C1F)C1=NNN=N1	REAL000000006663	1	32	0.0	-15.74	298.33	2.45	-13.29
CCCC(NC(=O)C1=NN(C)C(C)=C1I)C1=NNN=N1	REAL000000006664	1	36	0.0	-12.44	326.72	2.99	-9.44
CCCC(NC(=O)C1=C2C=C(Br)C=CC2=NS1)C1=NNN=N1	REAL000000006665	1	35	0.0	-11.86	329.81	4.19	-7.67
CCCC(NC(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=NNN=N1	REAL000000006666	1	39	0.0	-11.90	337.73	1.72	-10.18
CCCC(NC(=O)CCOC1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000006667	1	40	0.0	-10.11	351.23	4.41	-5.70
CCCC(NC(=O)C1=CSC(N=S(C)(C)=O)=N1)C1=NNN=N1	REAL000000006668	1	39	0.0	-24.61	341.03	-0.38	-24.99
CCCC(NC(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1=NNN=N1	REAL000000006669	1	48	0.0	-21.13	403.16	4.87	-16.26
CCCC(NC(=O)CC1=CC(O)=CC(Br)=C1)C1=NNN=N1	REAL000000006670	1	37	0.0	-13.84	334.68	2.09	-11.75
CCCC(NC(=O)CCCCC1=CC=CC(O)=C1)C1=NNN=N1	REAL000000006671	1	46	0.0	-9.78	370.59	3.51	-6.27
CCCC(NC(=O)C1=CN=C2CCCCC2=N1)C1=NNN=N1	REAL000000006672	1	41	0.0	-7.82	325.79	2.16	-5.65
CCCC(NC(=O)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006673	1	54	0.0	-16.74	427.60	4.18	-12.56
CCCC(NC(=O)C=CCCCCCCCO)C1=NNN=N1	REAL000000006674	1	49	0.0	-9.30	388.74	2.97	-6.33
CCCC(NC(=O)[C@@H]1[C@@H](C(=O)OC)C1(F)F)C1=NNN=N1	REAL000000006675	1	36	0.0	-11.00	320.92	2.97	-8.03
CCCC(NC(=O)C1C2=CNN=C2CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006676	1	51	0.0	-15.13	400.92	2.71	-12.42
CCCC(NC(=O)C1=CN2N=C(Br)N=C2C=C1)C1=NNN=N1	REAL000000006677	1	35	0.0	-12.29	314.11	3.53	-8.75
CCCC(NC(=O)C1=CC=C(C2(OC)COC2)C=C1)C1=NNN=N1	REAL000000006678	1	45	0.0	-12.83	358.12	2.99	-9.84
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1Br)C1=NNN=N1	REAL000000006679	1	40	0.0	-9.90	351.11	5.12	-4.78
CCCC(NC(=O)CN1CC(C(F)(F)F)CCC1=O)C1=NNN=N1	REAL000000006680	1	43	0.0	-15.46	360.18	3.53	-11.94
CCCC(NC(=O)C1=CC2=C(C=C(Br)S2)S1)C1=NNN=N1	REAL000000006681	1	33	0.0	-8.72	328.66	4.86	-3.86
CCCC(NC(=O)C1=NC(CC)=NC=C1Cl)C1=NNN=N1	REAL000000006682	1	37	0.0	-8.82	326.04	2.81	-6.01
CCCC(NC(=O)C=CC1=CC(Cl)=CC=C1Br)C1=NNN=N1	REAL000000006683	1	37	0.0	-10.81	347.26	5.88	-4.94
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1)C1=NNN=N1	REAL000000006684	1	37	0.0	-11.84	323.46	3.45	-8.39
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)C2CC2)C=C1)C1=NNN=N1	REAL000000006686	1	45	0.0	-19.48	378.00	1.64	-17.84
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)C2CC2)=C1)C1=NNN=N1	REAL000000006687	1	45	0.0	-12.86	374.81	1.83	-11.03
CCCC(NC(=O)C1=CC=CC(NS(=O)(=O)C(C)C)=C1)C1=NNN=N1	REAL000000006688	1	47	0.0	-15.94	392.39	2.04	-13.90
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)NC1=O)C1=NNN=N1	REAL000000006689	1	49	0.0	-13.68	378.55	4.20	-9.48
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1C)C1=NNN=N1	REAL000000006690	1	36	0.0	-8.32	320.77	5.02	-3.30
CCCC(NC(=O)C(NCC(F)(F)F)C1=CC=C(F)C=C1C)C1=NNN=N1	REAL000000006691	1	47	0.0	-10.44	398.70	4.23	-6.21
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C1CC1)C1=NNN=N1	REAL000000006692	1	57	0.0	-11.98	437.69	5.67	-6.32
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1OC)C1=NNN=N1	REAL000000006693	1	57	0.0	-17.07	435.94	4.66	-12.41
CCCC(NC(=O)C(C)CC1=CC=C(C(C)(C)C)C=C1)C1=NNN=N1	REAL000000006694	1	54	0.0	-9.49	415.37	7.94	-1.55
CCCC(NC(=O)C1=NN(C)C(C2=CC=C(Cl)C=C2)=C1)C1=NNN=N1	REAL000000006695	1	43	0.0	-10.13	365.91	4.83	-5.30
CCCC(NC(=O)C1=CC=C2SCCCC2=C1)C1=NNN=N1	REAL000000006696	1	41	0.0	-7.91	333.13	5.53	-2.39
CCCC(NC(=O)C1=CC=C2SCCCCC2=C1)C1=NNN=N1	REAL000000006697	1	44	0.0	-10.68	357.32	6.46	-4.22
CCCC(NC(=O)C1=CC=C(CCC(=O)OC)C=C1)C1=NNN=N1	REAL000000006698	1	45	0.0	-14.44	376.08	5.89	-8.55
CCCC(NC(=O)C1=CC=C(F)C(CC=C(C)C)=C1)C1=NNN=N1	REAL000000006699	1	46	0.0	-10.62	377.17	7.07	-3.55
CCCC(NC(=O)CC1=C(Br)N2C=CC=CC2=N1)C1=NNN=N1	REAL000000006700	1	39	0.0	-16.79	349.88	5.22	-11.57
CCCC(NC(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=NNN=N1	REAL000000006701	1	34	0.0	-10.36	318.63	3.27	-7.09
CCCC(NC(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=NNN=N1	REAL000000006702	1	40	0.0	-11.65	344.47	3.19	-8.46
CCCC(NC(=O)CC1=CN=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000006703	1	41	0.0	-16.58	343.54	4.67	-11.91
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1CC(F)(F)F)C1=NNN=N1	REAL000000006704	1	43	0.0	-8.65	374.04	5.98	-2.67
CCCC(NC(=O)C(F)(F)C1(OC)CCOCC1)C1=NNN=N1	REAL000000006705	1	44	0.0	-8.64	343.34	2.33	-6.32
CCCC(NC(=O)CN1N=NC(C(C)(C)C)=N1)C1=NNN=N1	REAL000000006706	1	43	0.0	-17.59	356.41	1.98	-15.62
CCCC(NC(=O)C1=CC2=C(C=CS2)N1CC1CC1)C1=NNN=N1	REAL000000006707	1	44	0.0	-9.77	372.30	6.72	-3.05
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)C1=NNN=N1	REAL000000006708	1	43	0.0	-12.68	368.55	7.60	-5.08
CCCC(NC(=O)C1=NN(C2CC2(F)F)C=C1)C1=NNN=N1	REAL000000006709	1	37	0.0	-13.88	319.01	2.86	-11.02
CCCC(NC(=O)C1=CC=C(C(C)(C)C(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000006710	1	57	0.0	-12.87	442.15	8.02	-4.85
CCCC(NC(=O)C1=CC2=C(C=C(Br)S2)N1)C1=NNN=N1	REAL000000006711	1	34	0.0	-10.42	323.26	3.38	-7.04
CCCC(NC(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2)C1=NNN=N1	REAL000000006712	1	47	0.0	-7.72	359.86	6.70	-1.02
CCCC(NC(=O)C1=CC=C(CC)C(Br)=C1)C1=NNN=N1	REAL000000006713	1	39	0.0	-9.07	337.77	5.57	-3.50
CCCC(NC(=O)CC1CC2(CCC2)CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006714	1	60	0.0	-9.45	449.47	5.93	-3.51
CCCC1=C(Br)C=C(C(=O)NC(CCC)C2=NNN=N2)S1	REAL000000006715	1	39	0.0	-9.67	354.00	5.57	-4.11
CCCC(NC(=O)C1=CC=C(SC)C(Br)=C1)C1=NNN=N1	REAL000000006716	1	37	0.0	-12.87	337.02	5.23	-7.64
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CS2)C1=NNN=N1	REAL000000006717	1	34	0.0	-9.89	323.04	3.26	-6.63
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000006718	1	43	0.0	-17.92	357.17	4.14	-13.78
CCCC(NC(=O)C1=COC2=CC(F)=CC(F)=C12)C1=NNN=N1	REAL000000006719	1	36	0.0	-11.70	309.03	3.80	-7.89
CCCC(NC(=O)C1=CN=C(OC2=CN(CC)N=C2)C=N1)C1=NNN=N1	REAL000000006720	1	45	0.0	-11.59	372.81	1.31	-10.28
CCCC(NC(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=NNN=N1	REAL000000006721	1	36	0.0	-13.22	314.17	2.71	-10.51
CCCC(NC(=O)C1=NC=C(OCC2CC2)C=C1F)C1=NNN=N1	REAL000000006722	1	43	0.0	-11.82	362.54	3.82	-8.00
CCCC(NC(=O)C1=CN(C2=CC=CC=C2OC)C=N1)C1=NNN=N1	REAL000000006724	1	44	0.0	-12.91	370.43	5.45	-7.46
CCCC(NC(=O)C1=CN=C(C2CCOCC2)N=C1)C1=NNN=N1	REAL000000006725	1	45	0.0	-11.52	363.37	2.39	-9.13
CCCC(NC(=O)C1=CC(C)=C(C)C(Br)=C1)C1=NNN=N1	REAL000000006726	1	39	0.0	-9.37	334.14	5.39	-3.98
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(CC(C)C)=C1)C1=NNN=N1	REAL000000006727	1	52	0.0	-11.95	418.47	7.15	-4.80
CCCC(NC(=O)C1=CC=C(N2CCC(C)CC2)C=C1)C1=NNN=N1	REAL000000006728	1	51	0.0	-7.40	384.11	5.23	-2.17
CCCC(NC(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL000000006729	0	61	0.0	-75.66	451.72	6.11	-69.55
CCCC(NC(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL000000006729	1	61	0.0	-75.64	451.66	6.11	-69.53
CCCC(NC(=O)C1=CC2=CC=C(O)C=C2N1)C1=NNN=N1	REAL000000006730	1	38	0.0	-12.32	322.50	0.73	-11.58
CCCC(NC(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=NNN=N1	REAL000000006732	1	40	0.0	-19.46	336.61	0.15	-19.31
CCCC(NC(=O)C(C)C1=CC=C(OC)C(F)=C1)C1=NNN=N1	REAL000000006733	1	43	0.0	-15.21	353.96	4.27	-10.93
CCCC(NC(=O)C(OC)C1CC(F)(F)C1)C1=NNN=N1	REAL000000006734	1	40	0.0	-14.79	328.35	3.54	-11.25
CCCC(NC(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C1=NNN=N1	REAL000000006735	1	43	0.0	-11.53	373.86	4.42	-7.10
CCCC(NC(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=NNN=N1	REAL000000006736	1	39	0.0	-8.19	337.14	1.85	-6.35
CCCC(NC(=O)COCC1=NC(C2CC2)=NO1)C1=NNN=N1	REAL000000006737	1	42	0.0	-19.87	359.79	1.82	-18.04
CCCC(NC(=O)CC1=CC=C2C(=C1)CCN2C)C1=NNN=N1	REAL000000006738	1	45	0.0	-13.12	363.12	4.17	-8.95
CCCC(NC(=O)CN1C=NC(Br)=C1)C1=NNN=N1	REAL000000006739	1	33	0.0	-15.13	297.74	3.56	-11.57
CCCC(NC(=O)C1=CC=C2C(=O)NCC2=C1)C1=NNN=N1	REAL000000006740	1	38	0.0	-12.92	312.79	0.83	-12.09
CCCC(NC(=O)C1=CC=C(NS(=O)(=O)CC)C=C1)C1=NNN=N1	REAL000000006741	1	44	0.0	-15.73	372.60	1.27	-14.46
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2S1)C1=NNN=N1	REAL000000006742	1	36	0.0	-11.41	336.88	5.63	-5.78
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C1=NNN=N1	REAL000000006743	1	62	0.0	-15.44	459.46	5.69	-9.75
CCCC(NC(=O)C1CC(C)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006744	1	56	0.0	-11.30	427.38	5.16	-6.14
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1)C1=NNN=N1	REAL000000006745	1	39	0.0	-11.52	346.61	4.38	-7.14
CCCC(NC(=O)C1=CN(CCN2CCOCC2)N=N1)C1=NNN=N1	REAL000000006746	1	48	0.0	-12.59	388.71	-0.68	-13.27
CCCC(NC(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=NNN=N1	REAL000000006747	1	35	0.0	-12.73	310.59	2.62	-10.11
CCCC(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006749	1	59	0.0	-15.04	443.40	4.95	-10.09
CCCC(NC(=O)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006750	1	57	0.0	-9.12	435.39	5.58	-3.54
CCCC(NC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCN2C=C1)C1=NNN=N1	REAL000000006751	1	55	0.0	-14.54	423.03	5.23	-9.30
CCCC(NC(=O)C1=COC2=C1C(O)CCC2)C1=NNN=N1	REAL000000006752	1	41	0.0	-15.44	331.01	2.35	-13.10
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)N=C1C)C1=NNN=N1	REAL000000006753	1	51	0.0	-12.35	407.35	4.62	-7.74
CCCC(NC(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=NNN=N1	REAL000000006754	1	38	0.0	-10.72	331.41	2.86	-7.86
CCCC(NC(=O)C(O)C1=CC(F)=CC(F)=C1)C1=NNN=N1	REAL000000006755	1	37	0.0	-11.01	323.28	2.50	-8.51
CCCC(NC(=O)CC1=CC=C(C#N)C=C1F)C1=NNN=N1	REAL000000006756	1	37	0.0	-13.79	328.66	4.76	-9.03
CCCC(NC(=O)C1=CC=C(Br)N=C1C(F)(F)F)C1=NNN=N1	REAL000000006757	1	35	0.0	-15.70	325.88	3.52	-12.18
CCCC(NC(=O)CC(C1=CC=CC=C1)C(F)F)C1=NNN=N1	REAL000000006758	1	42	0.0	-10.15	346.07	5.70	-4.45
CCCC(NC(=O)C1=CC=C2CCOCC2=C1)C1=NNN=N1	REAL000000006759	1	41	0.0	-12.08	331.45	3.75	-8.33
CCCC(NC(=O)C1=CC(C)=C(Cl)C([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000006760	1	38	0.0	-10.76	337.04	5.29	-5.47
CCCC(NC(=O)C1=CC(C)=NC2=C1C(=O)CCC2)C1=NNN=N1	REAL000000006761	1	44	0.0	-15.47	357.87	5.34	-10.13
CCCC(NC(=O)C(F)(F)C1=CSC(N)=N1)C1=NNN=N1	REAL000000006762	1	34	0.0	-11.38	311.15	1.03	-10.35
CCCC(NC(=O)C(CC1=CC=CN=C1)NC(=O)C1=CC=CC=C1)C1=NNN=N1	REAL000000006763	1	52	0.0	-13.87	423.44	4.69	-9.18
CCCC(NC(=O)C1=CSC(COCC)=N1)C1=NNN=N1	REAL000000006764	1	39	0.0	-11.25	342.44	1.39	-9.86
CCCC(NC(=O)C1=C(C)N(C2CCOC2)N=N1)C1=NNN=N1	REAL000000006765	1	43	0.0	-13.76	350.92	0.80	-12.96
CCCC(NC(=O)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)C1=NNN=N1	REAL000000006766	1	49	0.0	-17.11	397.57	7.03	-10.08
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2)C1=NNN=N1	REAL000000006767	1	50	0.0	-9.64	402.30	8.15	-1.49
CCCC(NC(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=NNN=N1	REAL000000006768	1	38	0.0	-13.21	317.81	3.90	-9.31
CCCC(NC(=O)[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1)C1=NNN=N1	REAL000000006769	1	56	0.0	-16.64	442.20	4.02	-12.62
CCCC(NC(=O)C1=CC2=C(Br)C=C(Cl)C=C2N1)C1=NNN=N1	REAL000000006770	1	37	0.0	-7.74	342.00	4.36	-3.38
CCCC(NC(=O)C1=CC2=C(C)C=C(Cl)C=C2N1)C1=NNN=N1	REAL000000006771	1	40	0.0	-10.32	348.96	4.74	-5.58
CCCC(NC(=O)CC1=CC=C(OCCCC#N)C=C1)C1=NNN=N1	REAL000000006772	1	47	0.0	-18.88	396.08	5.89	-12.99
CCCC(NC(=O)C1=CC=CC(NC(=O)C2=NN(C)C=C2)=C1)C1=NNN=N1	REAL000000006773	1	47	0.0	-19.56	387.93	3.16	-16.39
CCCC(NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1=NNN=N1	REAL000000006774	1	56	0.0	-11.26	420.76	5.00	-6.26
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCSC1)C1=NNN=N1	REAL000000006775	1	54	0.0	-9.12	420.44	4.09	-5.03
CCCC(NC(=O)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006776	1	56	0.0	-11.67	427.38	5.16	-6.51
CCCC(NC(=O)CSCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006777	1	50	0.0	-14.01	406.22	2.14	-11.87
CCCC(NC(=O)C(O)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000006778	1	37	0.0	-15.59	322.68	2.52	-13.07
CCCC(NC(=O)CC1(N2C=NN=N2)CCSCC1)C1=NNN=N1	REAL000000006779	1	45	0.0	-14.14	351.38	3.61	-10.52
CCCC(NC(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=NNN=N1	REAL000000006780	1	37	0.0	-19.31	324.70	0.97	-18.34
CCCC(NC(=O)C=CC1=CN=C2C=CC=CC2=N1)C1=NNN=N1	REAL000000006781	1	41	0.0	-13.43	351.06	3.51	-9.92
CCCC(NC(=O)C=CC1=C(OC)N=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000006782	1	46	0.0	-16.70	384.57	3.81	-12.89
CCCOC1=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C2C=CC=CC2=N1	REAL000000006783	1	52	0.0	-16.48	427.93	5.56	-10.92
CCCC(NC(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=NNN=N1	REAL000000006784	1	43	0.0	-16.80	350.86	2.91	-13.89
CCCC(NC(=O)C1=NN=C2C=CC(Br)=CN21)C1=NNN=N1	REAL000000006785	1	35	0.0	-9.86	314.28	4.20	-5.66
CCCC(NC(=O)C1=CC=NC(OC)=C1Br)C1=NNN=N1	REAL000000006786	1	36	0.0	-10.44	313.54	0.72	-9.72
CCCC(NC(=O)C=CC1=CC(OC)=NS1)C1=NNN=N1	REAL000000006787	1	37	0.0	-11.19	332.14	0.87	-10.31
CCCC(NC(=O)C=CC1=CC2=C(NC1=O)N(C(C)C)N=C2)C1=NNN=N1	REAL000000006788	1	49	0.0	-16.02	404.84	4.43	-11.59
CCCC(NC(=O)C1=CC=CN2C(CC(C)C)=NN=C12)C1=NNN=N1	REAL000000006789	1	47	0.0	-17.39	378.24	6.81	-10.58
CCCC(NC(=O)C(F)(F)C1(OC)CCC1)C1=NNN=N1	REAL000000006790	1	40	0.0	-8.33	323.70	3.51	-4.82
CCCC(NC(=O)C1=CSC(CC(F)(F)F)=N1)C1=NNN=N1	REAL000000006791	1	35	0.0	-9.69	320.23	2.17	-7.52
CCCC(NC(=O)CC1CC(OC(C)(C)C)C12CCC2)C1=NNN=N1	REAL000000006792	1	56	0.0	-6.92	416.12	5.94	-0.99
CCCC(NC(=O)CC1CSC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000006793	1	45	0.0	-15.25	371.05	5.54	-9.71
CCCC(NC(=O)C1=COC2=C(F)C=C(F)C=C12)C1=NNN=N1	REAL000000006794	1	36	0.0	-10.04	312.06	3.79	-6.26
CCCC(NC(=O)C1=CC=C2C=CC=C(CC)C2=N1)C1=NNN=N1	REAL000000006795	1	44	0.0	-10.73	362.91	5.65	-5.08
CCCC(NC(=O)C1=CC=C(C2(C(F)(F)F)CC2)C=C1)C1=NNN=N1	REAL000000006796	1	43	0.0	-11.32	364.96	6.56	-4.76
CCCC(NC(=O)C1=CN(C2=NC(C3CC3)=NS2)C=N1)C1=NNN=N1	REAL000000006797	1	42	0.0	-10.51	374.67	6.16	-4.34
CCCC(NC(=O)C1CC(C)(C)C1C(F)(F)F)C1=NNN=N1	REAL000000006798	1	42	0.0	-10.14	340.73	4.51	-5.63
CCCC(NC(=O)C1=CC=C2C(=O)NCCC2=C1)C1=NNN=N1	REAL000000006799	1	41	0.0	-14.91	337.28	2.12	-12.79
CCCC(NC(=O)C1CCC(=O)N(C(C)C)C1)C1=NNN=N1	REAL000000006800	1	46	0.0	-10.48	347.78	3.12	-7.36
CCCC(NC(=O)C1=CC=C2CNC(=O)C2=C1)C1=NNN=N1	REAL000000006801	1	38	0.0	-18.54	312.74	0.82	-17.72
CCCC(NC(=O)C1=CSC(C(=O)OCC)=N1)C1=NNN=N1	REAL000000006802	1	38	0.0	-12.16	344.13	2.36	-9.80
CCCC(NC(=O)C[C@H](C)C1=CC=C(C(F)(F)F)C=C1)C1=NNN=N1	REAL000000006803	1	45	0.0	-10.35	375.93	6.56	-3.79
CCCC(NC(=O)C[C@H](C)C1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000006804	1	45	0.0	-13.78	363.23	4.24	-9.55
CCCC(NC(=O)CC1CCCC2(CCC2)O1)C1=NNN=N1	REAL000000006805	1	47	0.0	-11.64	362.25	5.17	-6.47
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000006806	1	53	0.0	-15.33	410.26	4.43	-10.89
CCCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1=NNN=N1	REAL000000006807	1	53	0.0	-12.42	405.99	3.39	-9.03
CCCC(NC(=O)C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006808	1	53	0.0	-10.36	415.84	4.60	-5.76
CCCC(NC(=O)CN1N=CC(Br)=C1C)C1=NNN=N1	REAL000000006809	1	36	0.0	-14.54	324.97	2.82	-11.72
CCCC(NC(=O)C1CNC(=O)CC12CCC2)C1=NNN=N1	REAL000000006810	1	44	0.0	-13.69	333.20	1.30	-12.39
CCCC(NC(=O)CSC1=CC=CC=C1Br)C1=NNN=N1	REAL000000006811	1	37	0.0	-10.84	332.89	5.02	-5.82
CCCC(NC(=O)CC1COCCN1CC(F)(F)F)C1=NNN=N1	REAL000000006812	1	45	0.0	-12.02	359.50	0.62	-11.40
C=C(F)C1(CC(=O)NC(CCC)C2=NNN=N2)CN(C(=O)OC(C)(C)C)C1	REAL000000006813	1	54	0.0	-19.67	427.22	4.80	-14.87
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000006814	1	59	0.0	-13.09	442.24	5.57	-7.53
CCCC(NC(=O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006815	1	56	0.0	-10.82	408.24	4.87	-5.95
CCCC(NC(=O)CC12CCC(CC1)C2(C)C)C1=NNN=N1	REAL000000006816	1	49	0.0	-9.10	356.90	5.67	-3.43
CCCC(NC(=O)CN1C=C(C2CCOC2)C=N1)C1=NNN=N1	REAL000000006817	1	44	0.0	-18.46	359.54	2.45	-16.01
CCCC(NC(=O)C1=CC(CC)=CC2=C1OCC2)C1=NNN=N1	REAL000000006818	1	44	0.0	-14.80	355.56	5.85	-8.95
CCCC(NC(=O)CCC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000006819	1	53	0.0	-12.50	435.02	8.41	-4.09
CCCC(NC(=O)CN(CCC(F)(F)F)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006820	1	52	0.0	-11.56	414.94	5.03	-6.53
CCCC(NC(=O)C1=C2C=CSC2=CC=C1)C1=NNN=N1	REAL000000006821	1	36	0.0	-12.34	310.37	4.99	-7.35
CCCC(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1)C1=NNN=N1	REAL000000006822	1	43	0.0	-15.53	378.58	5.81	-9.71
CCCC(NC(=O)C1=CC(C(F)(F)F)=CS1)C1=NNN=N1	REAL000000006823	1	33	0.0	-8.04	302.55	3.35	-4.69
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=NNN=N1	REAL000000006824	1	40	0.0	-15.82	342.18	-3.16	-18.98
CCCC(NC(=O)C1=CC=CC(OCC2CC2)=C1)C1=NNN=N1	REAL000000006825	1	44	0.0	-9.72	353.54	5.17	-4.55
CCCC(NC(=O)C1=CC=C(SC)C=C1Cl)C1=NNN=N1	REAL000000006826	1	37	0.0	-12.54	330.29	5.19	-7.35
CCCC(NC(=O)C1=CC(Cl)=C(C)C(Br)=C1)C1=NNN=N1	REAL000000006827	1	36	0.0	-8.89	331.19	5.28	-3.60
CCCC(NC(=O)C1=C2SC(C(F)F)=NC2=CC=C1)C1=NNN=N1	REAL000000006828	1	38	0.0	-16.49	341.56	4.09	-12.40
CCCC(NC(=O)C1=CC=CC(C(C)(F)F)=C1)C1=NNN=N1	REAL000000006829	1	39	0.0	-9.53	323.73	4.86	-4.68
CCCC(NC(=O)C1=CC=C2C=CSC2=C1)C1=NNN=N1	REAL000000006830	1	36	0.0	-12.58	314.61	5.01	-7.57
CCCC(NC(=O)C1CCC2=NC(C)=NC=C2C1)C1=NNN=N1	REAL000000006831	1	44	0.0	-12.86	353.41	3.96	-8.90
CCCC(NC(=O)CC1=C(C)OC=C1C(F)(F)F)C1=NNN=N1	REAL000000006832	1	39	0.0	-10.14	335.83	3.78	-6.37
CCCC(NC(=O)C1CCC2=NC(CC)=NC=C2C1)C1=NNN=N1	REAL000000006833	1	47	0.0	-13.43	375.08	4.56	-8.87
CCCC(NC(=O)C(F)(F)OC1=CC=CC=C1)C1=NNN=N1	REAL000000006834	1	37	0.0	-8.17	313.38	3.92	-4.25
CCCC(NC(=O)C1=CC=C(CN2C=C(C)C=N2)C=C1)C1=NNN=N1	REAL000000006835	1	46	0.0	-12.44	376.21	5.64	-6.80
CCCC(NC(=O)CCC1=CC=C(Br)S1)C1=NNN=N1	REAL000000006836	1	36	0.0	-9.54	335.65	4.96	-4.57
CCCC(NC(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=NNN=N1	REAL000000006837	1	47	0.0	-15.75	372.36	5.02	-10.73
CCCC(NC(=O)C1=NN(C2=CC=C(C(C)(C)C)C=C2)C(=O)CC1)C1=NNN=N1	REAL000000006838	1	56	0.0	-12.02	443.20	6.65	-5.37
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)N1CC1CC1)C1=NNN=N1	REAL000000006839	1	47	0.0	-9.80	394.16	7.53	-2.27
CCCC(NC(=O)CCC=CBr)C1=NNN=N1	REAL000000006840	1	33	0.0	-7.10	290.96	3.06	-4.05
CCCC(NC(=O)C(CC1CCOC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006841	1	57	0.0	-8.59	422.63	1.45	-7.14
CCCC(NC(=O)C(C)C1=CC(C)=CC(F)=C1)C1=NNN=N1	REAL000000006842	1	42	0.0	-12.35	346.10	5.62	-6.73
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=C1OC)C1=NNN=N1	REAL000000006843	1	39	0.0	-9.81	333.69	3.04	-6.77
CCCC(NC(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F)C1=NNN=N1	REAL000000006844	1	40	0.0	-11.05	359.30	5.56	-5.49
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NNN=N1	REAL000000006845	1	48	0.0	-13.51	384.07	5.69	-7.81
CCCC(NC(=O)CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)C1=NNN=N1	REAL000000006846	1	43	0.0	-16.31	389.50	5.40	-10.91
CCCC(NC(=O)CC(C1=CC=CC=C1F)C(F)F)C1=NNN=N1	REAL000000006847	1	42	0.0	-12.36	351.20	5.73	-6.63
CCCC(NC(=O)COC1=CC=CC=C1C(F)F)C1=NNN=N1	REAL000000006848	1	40	0.0	-15.44	336.67	4.78	-10.67
CCCC(NC(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=NNN=N1	REAL000000006849	1	40	0.0	-11.12	330.37	5.53	-5.59
CCCC(NC(=O)C1=CC2=C(OCC)C=CN=C2S1)C1=NNN=N1	REAL000000006851	1	42	0.0	-10.65	355.86	3.12	-7.53
CCCC(NC(=O)C1=CN=C(C2CCOCC2)N=C1C)C1=NNN=N1	REAL000000006852	1	48	0.0	-10.74	379.86	3.03	-7.71
CCCC(NC(=O)C[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006853	1	58	0.0	-16.60	457.51	3.69	-12.90
CCCC(NC(=O)C1CC2CC1C1C2C1(F)F)C1=NNN=N1	REAL000000006854	1	41	0.0	-10.73	322.65	4.82	-5.91
CCCC(NC(=O)C1C2CC1(C1=CN=CS1)CC2)C1=NNN=N1	REAL000000006855	1	43	0.0	-11.69	354.01	4.42	-7.27
CCCC(NC(=O)C1CCC2(CC1)COCCO2)C1=NNN=N1	REAL000000006856	1	48	0.0	-9.28	355.11	2.64	-6.64
CCCC(NC(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=NNN=N1	REAL000000006857	1	36	0.0	-13.27	332.35	4.76	-8.51
CCCC(NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000006858	1	59	0.0	-13.97	448.91	4.42	-9.55
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=NNN=N1	REAL000000006859	1	44	0.0	-8.57	355.75	6.35	-2.22
CCCC(NC(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=NNN=N1	REAL000000006860	1	39	0.0	-21.02	339.03	-3.21	-24.23
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)O1)C1=NNN=N1	REAL000000006861	1	41	0.0	-16.75	339.50	0.99	-15.76
CCCC(NC(=O)C1=C2C=C(F)C=CC2=NN1)C1=NNN=N1	REAL000000006862	1	36	0.0	-13.05	311.16	2.40	-10.66
CCCC(NC(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=NNN=N1	REAL000000006863	1	37	0.0	-7.95	316.52	2.24	-5.71
CCCC(NC(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=NNN=N1	REAL000000006864	1	37	0.0	-14.30	328.94	2.59	-11.70
CCCC(NC(=O)C1=C(Cl)C(CC)=NN1C)C1=NNN=N1	REAL000000006865	1	39	0.0	-8.53	336.31	2.78	-5.75
CCCC(NC(=O)CSC1=CC=CC(F)=C1)C1=NNN=N1	REAL000000006866	1	37	0.0	-14.00	327.29	4.87	-9.14
CCCC(NC(=O)C1=CC2=C(C=C(Br)O2)N1)C1=NNN=N1	REAL000000006867	1	34	0.0	-11.74	313.61	2.39	-9.36
CCCC(NC(=O)C1CCC(=O)N1CCC(F)(F)F)C1=NNN=N1	REAL000000006868	1	43	0.0	-18.62	364.62	3.41	-15.20
CCCC(NC(=O)C1=CC(Br)=CC(Cl)=C1C)C1=NNN=N1	REAL000000006869	1	36	0.0	-7.81	328.92	5.38	-2.42
CCCC(NC(=O)C1CC(=O)NC2=NC=CC=C21)C1=NNN=N1	REAL000000006870	1	40	0.0	-20.51	332.91	1.73	-18.78
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NNN=N1	REAL000000006871	1	48	0.0	-13.51	384.07	5.69	-7.81
CCCC(NC(=O)C1=CC2=CC(C)=CC(C)=C2N1)C1=NNN=N1	REAL000000006872	1	43	0.0	-11.39	354.07	4.90	-6.49
CCCC(NC(=O)C1=CC2=C(N1)SC(C)=N2)C1=NNN=N1	REAL000000006873	1	36	0.0	-13.67	318.42	1.51	-12.16
CCCC(NC(=O)C1=C2COC(C)(C)C2=NN1)C1=NNN=N1	REAL000000006874	1	41	0.0	-11.53	337.00	0.75	-10.78
CCCC(NC(=O)C1=CC(C2CCOCC2)=NN1)C1=NNN=N1	REAL000000006875	1	44	0.0	-11.54	354.13	1.49	-10.04
CCCC(NC(=O)C1=CN(C2CCCC2)N=C1)C1=NNN=N1	REAL000000006876	1	43	0.0	-11.35	345.59	4.04	-7.31
CCCC(NC(=O)C1=NOC2=C1CC(F)(F)CC2)C1=NNN=N1	REAL000000006877	1	39	0.0	-11.38	329.90	3.77	-7.62
CCCC(NC(=O)CCN1C=CC2=CC=CN=C21)C1=NNN=N1	REAL000000006878	1	42	0.0	-14.69	351.48	5.48	-9.20
CCCC(NC(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000006879	1	38	0.0	-11.54	323.91	5.24	-6.30
CCCC(NC(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=NNN=N1	REAL000000006880	1	39	0.0	-18.22	338.61	1.07	-17.15
CCCC(NC(=O)C1=CC2=CC=C(OC)N=C2N1)C1=NNN=N1	REAL000000006881	1	40	0.0	-11.69	338.38	1.32	-10.37
CCCC(NC(=O)C1=C(C)SC(C(=O)OC)=C1)C1=NNN=N1	REAL000000006882	1	39	0.0	-10.95	342.98	4.16	-6.79
CCCC(NC(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=NNN=N1	REAL000000006884	1	36	0.0	-16.97	324.82	3.96	-13.01
CCCC(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=NNN=N1	REAL000000006886	1	42	0.0	-18.48	367.68	4.12	-14.35
CCCC(NC(=O)CSC1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000006887	1	37	0.0	-13.24	337.61	5.31	-7.93
CCCC(NC(=O)C1=CC(COC)=CN=C1OC)C1=NNN=N1	REAL000000006888	1	43	0.0	-14.60	357.86	1.33	-13.26
CCCC(NC(=O)CCN1C=CC2=CC(C)=CC=C21)C1=NNN=N1	REAL000000006889	1	46	0.0	-11.83	377.94	6.98	-4.85
CCCC(NC(=O)C1=C(CC)C2=CC(Br)=CC=C2O1)C1=NNN=N1	REAL000000006890	1	42	0.0	-8.58	369.48	6.12	-2.47
CCCC(NC(=O)C=C(C)C1=CC=C(OC)C=C1)C1=NNN=N1	REAL000000006891	1	44	0.0	-10.28	361.68	4.98	-5.30
CCCC(NC(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=NNN=N1	REAL000000006892	1	42	0.0	-13.80	345.86	3.95	-9.85
CCCC(NC(=O)CC(C1=CC=C(OC)C=C1)C(F)F)C1=NNN=N1	REAL000000006893	1	46	0.0	-9.32	368.37	4.67	-4.64
CCCC(NC(=O)C1=CC(OC)=CC2=C1OCC2)C1=NNN=N1	REAL000000006894	1	42	0.0	-15.05	342.16	3.72	-11.33
CCCC(NC(=O)CCN1C=NC(C)=CC1=O)C1=NNN=N1	REAL000000006895	1	41	0.0	-16.68	344.20	3.76	-12.92
CCCC(NC(=O)C1=C2SC=C(C)C2=NC=N1)C1=NNN=N1	REAL000000006896	1	37	0.0	-10.63	326.34	3.66	-6.98
CCCC(NC(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=NNN=N1	REAL000000006897	1	47	0.0	-14.67	380.34	3.93	-10.74
CCCC(NC(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=NNN=N1	REAL000000006898	1	50	0.0	-21.35	404.29	1.91	-19.43
CCCC(NC(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006899	1	54	0.0	-18.25	427.51	4.19	-14.07
CCCC(NC(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006900	1	53	0.0	-11.66	411.40	3.07	-8.58
CCCC(NC(=O)C(CC1=CC=CS1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006901	1	53	0.0	-8.02	416.65	3.36	-4.66
CCCC(NC(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006902	1	56	0.0	-13.64	438.03	3.98	-9.67
CCCC(NC(=O)CCOCCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006903	1	53	0.0	-13.54	424.31	1.24	-12.31
CCCC(NC(=O)CC1=NN=C2COCCN12)C1=NNN=N1	REAL000000006904	1	40	0.0	-21.90	331.40	1.79	-20.11
CCCC(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1N)C1=NNN=N1	REAL000000006905	1	47	0.0	-11.90	382.94	1.25	-10.65
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=NNN=N1	REAL000000006906	1	35	0.0	-7.66	319.52	2.97	-4.69
CCCC(NC(=O)C1=CC(Br)=CC=C1N)C1=NNN=N1	REAL000000006907	1	35	0.0	-8.21	308.80	2.50	-5.71
CCCC(NC(=O)C1=CC(I)=CC=C1N)C1=NNN=N1	REAL000000006908	1	35	0.0	-7.96	315.29	2.98	-4.98
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=NNN=N1	REAL000000006909	1	38	0.0	-10.48	322.66	3.03	-7.45
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1N)C1=NNN=N1	REAL000000006910	1	38	0.0	-9.12	327.40	3.26	-5.86
CCCC(NC(=O)C1=CC(F)=CC(Br)=C1N)C1=NNN=N1	REAL000000006911	1	35	0.0	-7.89	313.34	2.64	-5.25
CCCC(NC(=O)C1=CC=CC(Br)=C1N)C1=NNN=N1	REAL000000006912	1	35	0.0	-6.66	299.78	2.24	-4.41
CCCC(NC(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=NNN=N1	REAL000000006913	1	35	0.0	-9.35	317.03	2.93	-6.42
CCCC(NC(=O)C1=CC=CC(I)=C1N)C1=NNN=N1	REAL000000006914	1	35	0.0	-6.42	305.74	2.72	-3.70
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1N)C1=NNN=N1	REAL000000006915	1	35	0.0	-8.03	315.06	2.58	-5.44
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=NNN=N1	REAL000000006916	1	38	0.0	-8.75	327.09	2.88	-5.87
CCCC(NC(=O)C1=CC(Br)=CC(C)=C1N)C1=NNN=N1	REAL000000006917	1	38	0.0	-8.13	326.70	3.28	-4.85
CCCC(NC(=O)C1=CC(Br)=C(F)C=C1N)C1=NNN=N1	REAL000000006918	1	35	0.0	-8.24	315.04	2.54	-5.70
CCCC(NC(=O)C1=CC(Cl)=CC(C)=C1N)C1=NNN=N1	REAL000000006919	1	38	0.0	-8.23	322.14	3.17	-5.05
CCCC(NC(=O)C1=CC(C)=CC(Cl)=C1N)C1=NNN=N1	REAL000000006920	1	38	0.0	-9.14	323.30	3.13	-6.01
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1N)C1=NNN=N1	REAL000000006921	1	35	0.0	-8.34	310.64	2.45	-5.88
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1N)C1=NNN=N1	REAL000000006922	1	35	0.0	-7.63	323.65	3.08	-4.55
CCCC(NC(=O)C1=CC(N2C=C(C)C=N2)=C(F)C=C1N)C1=NNN=N1	REAL000000006923	1	45	0.0	-10.46	371.59	3.73	-6.73
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(OC)C=C1N)C1=NNN=N1	REAL000000006924	1	45	0.0	-16.65	375.20	-0.72	-17.37
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1N)C1=NNN=N1	REAL000000006925	1	38	0.0	-8.69	323.46	3.18	-5.51
CCCC(NC(=O)C1=CC=C(C)C(Cl)=C1N)C1=NNN=N1	REAL000000006926	1	38	0.0	-9.84	321.51	3.04	-6.80
CCCC(NC(=O)C1=CC(F)=CC(Cl)=C1N)C1=NNN=N1	REAL000000006927	1	35	0.0	-7.90	309.20	2.52	-5.38
CCCC(NC(=O)C1=CC=C(OC)C(F)=C1N)C1=NNN=N1	REAL000000006928	1	39	0.0	-12.73	322.15	1.31	-11.42
CCCC(NC(=O)C1=CC(F)=C(OC)C(F)=C1N)C1=NNN=N1	REAL000000006929	1	39	0.0	-10.02	333.20	1.48	-8.54
CCCC(NC(=O)C1=CC(Br)=CC(N)=C1N)C1=NNN=N1	REAL000000006930	1	37	0.0	-8.68	320.60	0.65	-8.04
CCCC(NC(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=NNN=N1	REAL000000006931	1	35	0.0	-8.04	319.98	2.85	-5.19
CCCC(NC(=O)C1=CC(F)=C(Br)C=C1N)C1=NNN=N1	REAL000000006932	1	35	0.0	-8.40	315.09	2.54	-5.86
CCCC(NC(=O)C1=CC(OC)=CC(Br)=C1N)C1=NNN=N1	REAL000000006933	1	39	0.0	-6.47	329.21	1.54	-4.93
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1N)C1=NNN=N1	REAL000000006934	1	35	0.0	-10.08	309.13	2.48	-7.60
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1N)C1=NNN=N1	REAL000000006935	1	39	0.0	-9.63	337.28	1.88	-7.76
CCCC(NC(=O)C1=CC=C(Br)C(F)=C1N)C1=NNN=N1	REAL000000006936	1	35	0.0	-9.94	313.54	2.58	-7.36
CCCC(NC(=O)C1=C(OC)C=C(OC)C(Cl)=C1N)C1=NNN=N1	REAL000000006937	1	43	0.0	-11.98	367.00	0.71	-11.27
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=N1)C1=NNN=N1	REAL000000006938	1	32	0.0	-8.05	311.24	2.91	-5.14
CCCC(NC(=O)[C@H](CO)NS(=O)(=O)C1=CC=C(C)C=C1)C1=NNN=N1	REAL000000006939	1	48	0.0	-15.28	399.78	-2.26	-17.55
CCCC(NC(=O)CCC1=C(Br)SC=C1)C1=NNN=N1	REAL000000006940	1	36	0.0	-9.46	332.78	4.71	-4.75
CCCC(NC(=O)C1=CN(C)C=C(Br)C1=O)C1=NNN=N1	REAL000000006941	1	36	0.0	-18.17	322.57	3.76	-14.41
CCCC(NC(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000006942	1	55	0.0	-11.85	415.55	5.71	-6.15
CCCC(NC(=O)C1=NN=C2C(Br)=CC=CN12)C1=NNN=N1	REAL000000006943	1	35	0.0	-14.06	321.51	4.50	-9.56
CCCC(NC(=O)C1CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000006944	1	41	0.0	-9.16	330.77	2.29	-6.88
CCCC(NC(=O)C1=C(C)C2=CC(F)=CC=C2N1)C1=NNN=N1	REAL000000006945	1	40	0.0	-11.49	335.51	4.34	-7.15
CCCC(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000006946	1	40	0.0	-12.32	337.62	5.56	-6.76
CCCC(NC(=O)C=CCOC1=CC=CC=C1)C1=NNN=N1	REAL000000006947	1	41	0.0	-9.98	338.28	4.23	-5.74
CCCC(NC(=O)C1=C(C)C2=CC(OC(F)(F)F)=CC=C2N1)C1=NNN=N1	REAL000000006948	1	44	0.0	-7.77	367.93	3.72	-4.05
CCCC(NC(=O)C1CC2CC(O)CC(C2)C1)C1=NNN=N1	REAL000000006949	1	47	0.0	-8.47	337.28	2.12	-6.36
CCCC(NC(=O)C1=CC2=C(N1)SC(Br)=N2)C1=NNN=N1	REAL000000006951	1	33	0.0	-12.19	318.20	1.37	-10.82
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=NNN=N1	REAL000000006952	1	39	0.0	-12.92	334.40	1.92	-11.00
CCCC(NC(=O)C1=C(Br)SN=C1C)C1=NNN=N1	REAL000000006953	1	32	0.0	-9.03	307.90	2.40	-6.63
CCCC(NC(=O)C1CCC2=NC(C)=CN2C1)C1=NNN=N1	REAL000000006954	1	43	0.0	-13.95	344.34	4.39	-9.55
CCCC(NC(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=NNN=N1	REAL000000006955	1	35	0.0	-12.24	309.46	3.53	-8.71
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)OC)=C1Cl)C1=NNN=N1	REAL000000006956	1	43	0.0	-12.08	363.05	3.69	-8.39
CCCC(NC(=O)C1=CN=CC(Br)=C1N)C1=NNN=N1	REAL000000006957	1	34	0.0	-8.82	302.01	0.76	-8.06
CCCC(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL000000006958	0	42	0.0	-74.84	334.54	1.78	-73.06
CCCC(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=N[N-]N=N1	REAL000000006958	1	42	0.0	-74.83	334.49	1.78	-73.06
CCCC(NC(=O)CCN1CCCC2=CC=CC=C21)C1=NNN=N1	REAL000000006959	1	48	0.0	-11.64	372.45	4.95	-6.70
CCCC(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006960	1	50	0.0	-12.73	392.72	-0.87	-13.60
CCCC(NC(=O)C1CC2(C1)C(C(=O)OC)C2(F)F)C1=NNN=N1	REAL000000006962	1	43	0.0	-13.26	365.53	4.76	-8.50
CCCC(NC(=O)C(O)CC1=CC=NC=C1Br)C1=NNN=N1	REAL000000006963	1	39	0.0	-12.46	345.60	1.72	-10.74
CCCC(NC(=O)[C@H]1C[C@]1(Cl)C(=O)OC)C1=NNN=N1	REAL000000006964	1	36	0.0	-11.28	320.66	3.34	-7.94
CCCC(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006965	1	50	0.0	-12.45	392.98	-0.62	-13.07
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=N1)C1=NNN=N1	REAL000000006966	1	35	0.0	-8.65	330.82	3.43	-5.22
CCCC(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006967	1	54	0.0	-11.19	418.58	4.47	-6.72
CCCC(NC(=O)C1=NOC(C)=C1I)C1=NNN=N1	REAL000000006968	1	32	0.0	-9.16	303.60	2.83	-6.33
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=NNN=N1	REAL000000006969	1	48	0.0	-14.52	378.29	3.42	-11.10
CCCC(NC(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000006970	1	47	0.0	-10.93	386.20	1.77	-9.16
CCCC(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=NNN=N1	REAL000000006971	1	54	0.0	-17.44	423.45	1.04	-16.40
CCCC(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006972	1	54	0.0	-11.19	418.58	4.47	-6.72
CCCC(NC(=O)C1=CC=C(C(CF)(OC)OC)C=C1)C1=NNN=N1	REAL000000006973	1	47	0.0	-12.74	379.53	4.15	-8.59
CCCC(NC(=O)C(F)(F)CCC(=O)OCC)C1=NNN=N1	REAL000000006974	1	41	0.0	-10.76	351.42	3.98	-6.78
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1N)C1=NNN=N1	REAL000000006975	1	43	0.0	-10.62	346.15	0.59	-10.04
CCCC(NC(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000006976	1	42	0.0	-13.77	344.32	3.55	-10.22
CCCC(NC(=O)COC1CCN(S(C)(=O)=O)CC1)C1=NNN=N1	REAL000000006977	1	48	0.0	-19.74	393.66	0.76	-18.98
CCCC(NC(=O)C1=CC=CC(N2C=C(C)C=N2)=C1)C1=NNN=N1	REAL000000006978	1	43	0.0	-19.21	357.99	5.53	-13.68
CCCC(NC(=O)C(C)CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000006979	1	42	0.0	-11.94	351.82	5.74	-6.19
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=NNN=N1	REAL000000006980	1	44	0.0	-14.24	375.62	7.37	-6.87
CCCC(NC(=O)C1=C2C=CC(F)=CC2=CC=C1)C1=NNN=N1	REAL000000006981	1	39	0.0	-12.21	324.84	5.94	-6.27
CCCC(NC(=O)C1=NC=C(Br)N1C)C1=NNN=N1	REAL000000006982	1	33	0.0	-8.21	299.79	2.56	-5.65
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1Br)C1=NNN=N1	REAL000000006983	1	36	0.0	-13.42	334.67	3.09	-10.34
CCCC(NC(=O)CCC1=CSC(Br)=C1)C1=NNN=N1	REAL000000006984	1	36	0.0	-9.91	335.41	4.80	-5.11
CCCC(NC(=O)C1=C(CC)NC(CC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000006985	1	50	0.0	-11.87	407.88	7.15	-4.72
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)C1=NNN=N1	REAL000000006986	1	40	0.0	-12.64	365.82	6.71	-5.93
CCCC(NC(=O)C1=CC=NN1C1CC1(F)F)C1=NNN=N1	REAL000000006987	1	37	0.0	-12.57	321.14	3.33	-9.23
CCCC(NC(=O)C1=C(C)C2=CC(OCC)=CC=C2N1)C1=NNN=N1	REAL000000006988	1	47	0.0	-9.56	373.30	4.18	-5.38
CCCC(NC(=O)C1=C(C)C2=CC(CC)=CC=C2N1)C1=NNN=N1	REAL000000006989	1	46	0.0	-7.90	364.77	5.36	-2.54
CCCC(NC(=O)C1=C(C)C2=C(C)C=C(C)C=C2N1)C1=NNN=N1	REAL000000006990	1	46	0.0	-10.91	364.79	5.39	-5.53
CCCC(NC(=O)C1=C(C)C2=CC(C(C)C)=CC=C2N1)C1=NNN=N1	REAL000000006991	1	49	0.0	-10.67	389.13	6.19	-4.48
CCCC(NC(=O)C1=CC2=C(C(=O)OC)C=CC=C2S1)C1=NNN=N1	REAL000000006992	1	42	0.0	-14.02	360.50	5.25	-8.76
CCCC(NC(=O)CCC1=CC=CN=C1C(=O)OC)C1=NNN=N1	REAL000000006993	1	44	0.0	-14.84	365.44	3.72	-11.12
CCCC(NC(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000006994	1	53	0.0	-13.25	416.00	3.01	-10.24
CCCC(NC(=O)C=CC1=CN=CC(C(=O)NC)=C1)C1=NNN=N1	REAL000000006995	1	43	0.0	-17.87	363.77	1.34	-16.53
CCCC(NC(=O)C=CC1=CC=NC(Cl)=C1)C1=NNN=N1	REAL000000006996	1	36	0.0	-13.61	324.19	3.52	-10.10
CCCC(NC(=O)C1=C(C)C=CC(OC)=C1N)C1=NNN=N1	REAL000000006997	1	42	0.0	-10.50	342.65	1.36	-9.13
CCCC(NC(=O)C=CC1=C2C=CC=CC2=NC=C1)C1=NNN=N1	REAL000000006998	1	42	0.0	-14.72	351.02	5.15	-9.58
CCCC(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000006999	1	40	0.0	-12.32	337.62	5.56	-6.76
CCCC(NC(=O)C1CCC(S(N)(=O)=O)CC1)C1=NNN=N1	REAL000000007000	1	44	0.0	-18.81	343.08	-1.60	-20.41
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=NNN=N1	REAL000000007001	1	39	0.0	-12.80	340.93	4.79	-8.00
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000007002	1	37	0.0	-14.37	332.57	2.96	-11.42
CCCC(NC(=O)C1=C(OC)C(OC)=CS1)C1=NNN=N1	REAL000000007003	1	38	0.0	-10.39	323.30	2.21	-8.19
CCCC(NC(=O)C1=C2N=CC=CC2=C(Br)C=C1)C1=NNN=N1	REAL000000007004	1	38	0.0	-15.48	335.25	4.98	-10.50
CCCC(NC(=O)C(SC)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000007005	1	40	0.0	-7.04	351.68	5.51	-1.53
CCCC(NC(=O)C1=CN=C2C=C(C)C=CC2=C1)C1=NNN=N1	REAL000000007006	1	41	0.0	-9.31	333.19	4.36	-4.95
CCCC(NC(=O)C1=CC=C(F)C(OC)=C1F)C1=NNN=N1	REAL000000007007	1	37	0.0	-16.23	321.73	3.24	-13.00
CCCC(NC(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=NNN=N1	REAL000000007008	1	39	0.0	-22.35	341.26	3.72	-18.63
CCCC(NC(=O)C1=CN=CC(C2=COC=C2)=C1)C1=NNN=N1	REAL000000007009	1	39	0.0	-12.33	331.91	3.45	-8.88
CCCC(NC(=O)C[C@H](C)C1=CC=CC(OC(F)(F)F)=C1)C1=NNN=N1	REAL000000007010	1	46	0.0	-11.23	383.18	5.35	-5.88
CCCC(NC(=O)C1CCS(=O)(=O)C1(C)C)C1=NNN=N1	REAL000000007011	1	42	0.0	-18.21	335.65	0.57	-17.63
CCCC(NC(=O)C1=CC(F)=CC(OC)=C1N)C1=NNN=N1	REAL000000007012	1	39	0.0	-6.80	315.93	1.02	-5.78
CCCC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007013	1	45	0.0	-11.24	366.74	6.54	-4.70
CCCC(NC(=O)C1=CC(=O)N(C(C)C)C=C1)C1=NNN=N1	REAL000000007014	1	42	0.0	-16.75	333.92	3.49	-13.26
CCCC(NC(=O)CCCCN1C(=O)CCC1=O)C1=NNN=N1	REAL000000007015	1	45	0.0	-17.92	372.09	3.39	-14.53
CCCC(NC(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=NNN=N1	REAL000000007016	1	45	0.0	-11.21	359.38	6.08	-5.13
CCCC(NC(=O)C1COC2=C(Br)C=CC=C2C1)C1=NNN=N1	REAL000000007017	1	41	0.0	-8.24	345.31	4.53	-3.71
CCCC(NC(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=NNN=N1	REAL000000007018	1	40	0.0	-17.60	344.89	4.88	-12.72
CCCC(NC(=O)C(C)=CC1=CC=C(F)C=C1)C1=NNN=N1	REAL000000007019	1	40	0.0	-10.65	331.32	5.50	-5.16
CCCCC1=NC(C(=O)NC(CCC)C2=NNN=N2)=CS1	REAL000000007020	1	41	0.0	-9.68	351.40	3.71	-5.97
CCCC(NC(=O)C1=CC=C(C(=O)CF)C=C1)C1=NNN=N1	REAL000000007021	1	38	0.0	-19.56	326.52	4.31	-15.26
CCCC(NC(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=NNN=N1	REAL000000007022	1	42	0.0	-12.53	352.19	3.52	-9.01
CCCC(NC(=O)C1=CC(C2=CC=CC(C)=C2)=NO1)C1=NNN=N1	REAL000000007023	1	42	0.0	-10.13	357.87	5.32	-4.81
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=NNN=N1	REAL000000007024	1	39	0.0	-9.30	353.12	5.16	-4.14
CCCC(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=NNN=N1	REAL000000007025	1	39	0.0	-11.40	348.80	5.32	-6.08
CCCC(NC(=O)C(F)(F)C1=CN=NN1C)C1=NNN=N1	REAL000000007026	1	35	0.0	-11.15	306.96	0.73	-10.41
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1=NNN=N1	REAL000000007027	1	52	0.0	-18.54	422.11	2.67	-15.87
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C1=NNN=N1	REAL000000007028	1	60	0.0	-12.67	451.48	6.29	-6.39
CCCC(NC(=O)C1=CC2=CC(NC(=O)OC(C)(C)C)=CC=C2N1)C1=NNN=N1	REAL000000007029	1	54	0.0	-13.46	433.35	3.83	-9.63
CCCC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=NNN=N1	REAL000000007030	1	48	0.0	-13.41	353.27	2.24	-11.17
CCCC(NC(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007031	1	50	0.0	-20.99	393.15	4.39	-16.60
CCCC(NC(=O)C1=CC2=NNC(=O)N2C=C1)C1=NNN=N1	REAL000000007032	1	36	0.0	-12.15	302.88	1.62	-10.53
CCCC(NC(=O)C1=C(I)SN=C1C)C1=NNN=N1	REAL000000007033	1	32	0.0	-8.56	314.31	2.87	-5.69
CCCC(NC(=O)C1=C(C)C2=CC(C(F)(F)F)=CC=C2N1)C1=NNN=N1	REAL000000007034	1	43	0.0	-8.25	360.87	4.94	-3.31
CCCC(NC(=O)C1=C(C)C2=CC=CC(C)=C2N1)C1=NNN=N1	REAL000000007035	1	43	0.0	-10.93	350.30	4.93	-6.00
CCCC(NC(=O)C1=C(C)NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007036	1	44	0.0	-8.67	353.38	5.31	-3.36
CCCC(NC(=O)C1=C(CC)NC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007037	1	47	0.0	-11.10	381.88	6.37	-4.73
CCCC(NC(=O)C1=CC=CC2=NC(CC)=CN21)C1=NNN=N1	REAL000000007038	1	42	0.0	-17.29	344.35	5.40	-11.89
CCCC(NC(=O)CC1CC(C)(C)OC(C)(C)C1)C1=NNN=N1	REAL000000007039	1	52	0.0	-10.11	388.23	4.89	-5.22
CCCC(NC(=O)CC1CCN2C=NC=C2C1)C1=NNN=N1	REAL000000007040	1	43	0.0	-17.22	340.96	5.24	-11.98
CCCC(NC(=O)CCCCCN1C=NN=N1)C1=NNN=N1	REAL000000007041	1	43	0.0	-22.81	357.78	3.87	-18.95
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1Br)C1=NNN=N1	REAL000000007042	1	40	0.0	-13.47	361.74	6.00	-7.47
CCCC(NC(=O)C1=CC=C2NC(=O)NCC2=C1)C1=NNN=N1	REAL000000007043	1	40	0.0	-15.41	332.01	0.75	-14.67
CCCC(NC(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=NNN=N1	REAL000000007044	1	42	0.0	-8.10	346.57	5.43	-2.67
CCCC(NC(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=NNN=N1	REAL000000007045	1	39	0.0	-11.79	328.53	3.36	-8.42
CCCC(NC(=O)C1=COC2=C1CS(=O)(=O)C2)C1=NNN=N1	REAL000000007046	1	37	0.0	-21.00	326.44	-0.44	-21.44
CCCC(NC(=O)C1=CC=C(C2CCOC2)C=C1)C1=NNN=N1	REAL000000007047	1	44	0.0	-11.60	352.46	4.28	-7.32
CCCC(NC(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=NNN=N1	REAL000000007049	1	39	0.0	-12.34	341.13	2.50	-9.84
CCCC(NC(=O)C1=CN=CC2=C1CCCC2)C1=NNN=N1	REAL000000007050	1	42	0.0	-10.05	329.85	4.35	-5.70
C=CCNC(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007051	1	44	0.0	-16.64	368.44	3.33	-13.31
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=NNN=N1	REAL000000007052	1	42	0.0	-14.00	358.48	5.52	-8.48
CCCC(NC(=O)C1=C(C)C2=CC=C(C)C=C2N1)C1=NNN=N1	REAL000000007053	1	43	0.0	-10.85	350.47	4.94	-5.91
CCCC(NC(=O)C1=C(C)C2=CC([N+](=O)[O-])=CC=C2N1)C1=NNN=N1	REAL000000007054	1	42	0.0	-11.21	350.00	4.60	-6.61
CCCC(NC(=O)C1=C(C)C2=CC=C(Cl)C=C2N1)C1=NNN=N1	REAL000000007055	1	40	0.0	-9.94	345.81	4.79	-5.15
CCCC(NC(=O)C1=C(C)C2=CC=C(F)C=C2N1)C1=NNN=N1	REAL000000007056	1	40	0.0	-7.61	328.32	4.01	-3.60
CCCC(NC(=O)C1=NC2=C(C)C=NN2C=C1)C1=NNN=N1	REAL000000007057	1	38	0.0	-9.96	317.06	2.95	-7.01
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1F)C1=NNN=N1	REAL000000007058	1	33	0.0	-12.01	309.86	4.42	-7.59
CCCC(NC(=O)C1=C2SN=CC2=CC=C1)C1=NNN=N1	REAL000000007059	1	35	0.0	-14.28	300.52	3.49	-10.79
CCCC(NC(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007060	1	57	0.0	-11.55	431.21	5.04	-6.51
CCCC(NC(=O)CCC(CC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007061	1	55	0.0	-9.29	416.78	3.22	-6.07
CCCC(NC(=O)C1=C2SC=CC2=C(F)C=C1)C1=NNN=N1	REAL000000007062	1	36	0.0	-8.85	311.34	4.75	-4.10
CCCC(NC(=O)C1=CC=C(C)C(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007063	1	46	0.0	-12.48	375.13	7.79	-4.69
CCCC(NC(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007064	1	53	0.0	-11.82	412.89	3.12	-8.70
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1C)C1=NNN=N1	REAL000000007065	1	46	0.0	-7.67	360.69	7.44	-0.23
CCCC(NC(=O)C1=COC2=C(Br)C=CC=C12)C1=NNN=N1	REAL000000007066	1	36	0.0	-10.19	320.52	4.28	-5.91
CCCC(NC(=O)C1=CC(OC)=CC(OC)=C1Cl)C1=NNN=N1	REAL000000007067	1	41	0.0	-13.51	348.46	2.84	-10.67
CCCC(NC(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000007068	1	43	0.0	-8.90	359.37	6.41	-2.49
CCCC(NC(=O)C1CCCC2=C1N=CS2)C1=NNN=N1	REAL000000007069	1	39	0.0	-10.03	324.95	3.71	-6.31
CCCC(NC(=O)C1CC(F)(F)CCC1(C)C)C1=NNN=N1	REAL000000007070	1	45	0.0	-7.96	339.29	4.86	-3.10
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=NNN=N1	REAL000000007071	1	45	0.0	-9.38	370.62	6.02	-3.35
CCCC(NC(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=NNN=N1	REAL000000007072	1	43	0.0	-14.02	366.27	6.50	-7.51
CCCC(NC(=O)C1=CN=C(C(F)(F)F)S1)C1=NNN=N1	REAL000000007073	1	32	0.0	-9.60	306.20	1.97	-7.63
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NN1)C1=NNN=N1	REAL000000007074	1	40	0.0	-11.84	326.80	1.32	-10.52
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2N1)C1=NNN=N1	REAL000000007075	1	44	0.0	-12.78	358.63	3.58	-9.20
CCCC(NC(=O)C(=O)C1=CSC=C1Br)C1=NNN=N1	REAL000000007076	1	32	0.0	-7.26	300.08	2.74	-4.52
CCCC(NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=NNN=N1	REAL000000007077	1	42	0.0	-8.72	345.37	5.44	-3.28
CCCC(NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=NNN=N1	REAL000000007078	1	43	0.0	-16.19	357.20	3.21	-12.98
CCCC(NC(=O)C1=CSC(Br)=C1Cl)C1=NNN=N1	REAL000000007079	1	30	0.0	-12.46	303.47	3.79	-8.67
CCCC(NC(=O)CCN(CC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007080	1	52	0.0	-12.17	406.55	4.59	-7.57
CCCC(NC(=O)C(F)(F)CCN1C=CN=N1)C1=NNN=N1	REAL000000007081	1	38	0.0	-15.92	330.31	2.00	-13.92
CCCC(NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=NNN=N1	REAL000000007082	1	39	0.0	-8.85	332.33	4.89	-3.97
CCCC(NC(=O)C(F)(F)CCN1C=CC=N1)C1=NNN=N1	REAL000000007083	1	39	0.0	-9.79	329.32	2.91	-6.88
CCCC(NC(=O)CC1CCS(=O)(=O)CC1)C1=NNN=N1	REAL000000007084	1	42	0.0	-18.65	340.85	0.63	-18.01
CCCC(NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=NNN=N1	REAL000000007085	1	38	0.0	-19.68	328.91	-0.65	-20.33
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1F)C1=NNN=N1	REAL000000007086	1	37	0.0	-11.97	332.06	3.73	-8.24
CCCC(NC(=O)C1=CC=CC(I)=C1F)C1=NNN=N1	REAL000000007087	1	33	0.0	-15.08	309.19	4.81	-10.27
CCCC(NC(=O)C1=CC=CC(C(C)C)=C1F)C1=NNN=N1	REAL000000007088	1	42	0.0	-15.03	341.09	5.63	-9.40
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1F)C1=NNN=N1	REAL000000007089	1	42	0.0	-13.14	342.45	5.66	-7.48
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1F)C1=NNN=N1	REAL000000007090	1	39	0.0	-11.65	320.27	5.63	-6.02
CCCC(NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=NNN=N1	REAL000000007091	1	39	0.0	-12.75	337.44	5.33	-7.42
CCCC(NC(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=NNN=N1	REAL000000007092	1	46	0.0	-9.97	383.17	5.35	-4.62
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CS2)C1=NNN=N1	REAL000000007093	1	40	0.0	-10.86	350.55	3.00	-7.86
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)OC)S2)N1)C1=NNN=N1	REAL000000007094	1	40	0.0	-10.01	350.78	3.09	-6.92
CCCC(NC(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NNN=N1	REAL000000007095	1	56	0.0	-14.77	450.26	4.75	-10.02
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007096	1	56	0.0	-12.94	429.17	3.72	-9.22
CCCC(NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007097	1	49	0.0	-13.74	396.63	1.92	-11.82
CCCC(NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=NNN=N1	REAL000000007098	1	43	0.0	-16.41	360.23	3.34	-13.08
CCCC(NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=NNN=N1	REAL000000007099	1	47	0.0	-11.03	376.15	7.18	-3.85
CCCC(NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=NNN=N1	REAL000000007100	1	47	0.0	-8.27	369.06	6.83	-1.44
CCCC(NC(=O)C(COC)OC1=CC=C(Cl)C=C1C)C1=NNN=N1	REAL000000007101	1	47	0.0	-11.61	390.48	4.93	-6.68
CCCC(NC(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=NNN=N1	REAL000000007102	1	46	0.0	-14.74	383.72	2.84	-11.90
CCCC(NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=NNN=N1	REAL000000007103	1	42	0.0	-11.15	352.76	5.72	-5.43
CCCC(NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=NNN=N1	REAL000000007104	1	43	0.0	-16.77	356.05	3.79	-12.99
CCCC(NC(=O)CN1N=C(C)N(CC)C1=O)C1=NNN=N1	REAL000000007105	1	42	0.0	-20.51	352.28	3.53	-16.98
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=NNN=N1	REAL000000007106	1	47	0.0	-10.59	385.56	7.59	-3.00
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1Cl)C1=NNN=N1	REAL000000007107	1	36	0.0	-9.60	329.70	5.37	-4.23
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=NNN=N1	REAL000000007108	1	35	0.0	-15.03	318.18	-2.76	-17.78
CCCC(NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=NNN=N1	REAL000000007109	1	38	0.0	-19.04	324.60	1.09	-17.96
CCCC(NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=NNN=N1	REAL000000007110	1	47	0.0	-18.68	381.52	5.01	-13.67
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=NNN=N1	REAL000000007111	1	45	0.0	-16.87	378.06	6.44	-10.44
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C1=NNN=N1	REAL000000007112	1	53	0.0	-7.41	405.30	1.29	-6.12
CCCC(NC(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007113	1	56	0.0	-19.71	443.92	3.38	-16.33
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=NNN=N1	REAL000000007114	1	60	0.0	-15.43	456.42	5.46	-9.97
CCCC(NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007115	1	56	0.0	-10.48	422.11	4.65	-5.83
CCCC(NC(=O)C1=CC=C(C(C)CC)NC1=O)C1=NNN=N1	REAL000000007116	1	45	0.0	-13.93	358.90	3.53	-10.40
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=NNN=N1	REAL000000007117	1	55	0.0	-13.25	424.15	7.91	-5.34
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=NNN=N1	REAL000000007118	1	43	0.0	-13.11	364.73	6.08	-7.03
CCCC(NC(=O)C1COC2=CC=C(Br)C=C2C1)C1=NNN=N1	REAL000000007119	1	41	0.0	-10.50	353.65	4.79	-5.71
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=NNN=N1	REAL000000007120	1	46	0.0	-13.73	369.40	6.24	-7.49
CCCC(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=NNN=N1	REAL000000007121	1	46	0.0	-16.44	374.45	-0.06	-16.50
CCCC(NC(=O)C1=C2C=CC(Cl)=CC2=CC=C1)C1=NNN=N1	REAL000000007122	1	39	0.0	-8.47	327.96	6.06	-2.41
CCCC(NC(=O)CC1CCC2=CC(Br)=CC=C21)C1=NNN=N1	REAL000000007123	1	43	0.0	-9.69	365.06	6.72	-2.97
CCCC(NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=NNN=N1	REAL000000007124	1	42	0.0	-11.96	353.51	5.37	-6.58
CCCC(NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=NNN=N1	REAL000000007125	1	31	0.0	-10.29	313.94	1.98	-8.31
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CO2)C1=NNN=N1	REAL000000007126	1	40	0.0	-12.40	341.91	2.10	-10.30
CCCC(NC(=O)C1=CC2=C(C)C=C(C(=O)OC)C=C2N1)C1=NNN=N1	REAL000000007127	1	46	0.0	-12.94	386.87	4.87	-8.07
CCCC(NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=NNN=N1	REAL000000007128	1	38	0.0	-14.13	331.54	2.03	-12.10
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=NNN=N1	REAL000000007129	1	44	0.0	-10.57	360.91	5.57	-5.00
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1C)C1=NNN=N1	REAL000000007130	1	42	0.0	-15.37	342.66	4.85	-10.52
CCCC(NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=NNN=N1	REAL000000007131	1	46	0.0	-18.53	382.93	6.22	-12.31
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=NNN=N1	REAL000000007132	1	40	0.0	-11.58	342.70	6.08	-5.50
CCCC(NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=NNN=N1	REAL000000007133	1	40	0.0	-21.75	333.48	4.60	-17.15
CCCC(NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=NNN=N1	REAL000000007134	1	39	0.0	-10.70	340.88	4.22	-6.49
CCCC(NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=NNN=N1	REAL000000007135	1	38	0.0	-13.53	323.06	1.27	-12.26
CCCC(NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=NNN=N1	REAL000000007136	1	36	0.0	-14.83	323.89	4.17	-10.65
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000007137	1	59	0.0	-13.38	448.52	5.49	-7.89
CCCC(NC(=O)CCCCC1CSSC1)C1=NNN=N1	REAL000000007138	1	44	0.0	-14.26	370.20	6.84	-7.42
CCCC(NC(=O)C1CCN(C(=O)NC)CC1)C1=NNN=N1	REAL000000007139	1	45	0.0	-15.96	345.81	1.33	-14.63
CCCC(NC(=O)C1=C2C=CC=C(Cl)C2=CN=C1)C1=NNN=N1	REAL000000007140	1	38	0.0	-7.60	321.74	4.25	-3.35
CCCC(NC(=O)C1=C2N=CC=CC2=CC(C)=C1)C1=NNN=N1	REAL000000007141	1	41	0.0	-13.62	330.97	4.80	-8.82
CCCC(NC(=O)CC1=CC(Br)=CS1)C1=NNN=N1	REAL000000007142	1	33	0.0	-8.33	306.89	3.74	-4.59
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=NNN=N1	REAL000000007143	1	44	0.0	-11.04	380.52	7.63	-3.41
CCCC(NC(=O)C1=CC=CC(C2(OC)COC2)=C1)C1=NNN=N1	REAL000000007144	1	45	0.0	-14.81	358.24	2.98	-11.82
CCCC(NC(=O)C1=C2C=CN(CCOC)C2=CC=C1)C1=NNN=N1	REAL000000007145	1	47	0.0	-10.84	377.61	5.02	-5.82
CCCC(NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=NNN=N1	REAL000000007146	1	46	0.0	-14.39	369.20	6.78	-7.61
CCCC(NC(=O)CC(CC)CC(F)(F)F)C1=NNN=N1	REAL000000007147	1	41	0.0	-12.55	328.07	4.14	-8.41
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=NNN=N1	REAL000000007148	1	39	0.0	-10.63	348.98	4.94	-5.69
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=NNN=N1	REAL000000007149	1	39	0.0	-10.26	359.30	5.39	-4.87
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=NNN=N1	REAL000000007150	1	39	0.0	-10.49	359.31	5.39	-5.10
CCCC(NC(=O)CC1=CC=C(C(=O)C2=CC=C(C)C=C2)N1C)C1=NNN=N1	REAL000000007151	1	52	0.0	-17.62	422.86	7.50	-10.13
CCCC(NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=NNN=N1	REAL000000007152	1	40	0.0	-7.72	332.69	4.01	-3.71
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=NNN=N1	REAL000000007153	1	52	0.0	-13.71	422.94	2.35	-11.36
CCCC(NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007154	1	56	0.0	-9.83	422.00	3.39	-6.44
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=NNN=N1	REAL000000007155	1	33	0.0	-15.60	304.73	4.31	-11.29
CCCC(NC(=O)C1=CC=C(CC(=O)OC)C=C1)C1=NNN=N1	REAL000000007156	1	42	0.0	-12.21	347.48	4.76	-7.44
CCCC(NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007157	1	59	0.0	-11.08	455.61	2.62	-8.46
CCCC(NC(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007158	1	60	0.0	-16.27	455.17	4.26	-12.01
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=NNN=N1	REAL000000007159	1	35	0.0	-9.31	306.35	2.10	-7.21
CCCC(NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007160	1	56	0.0	-14.36	417.89	4.95	-9.41
CCCC(NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007161	1	50	0.0	-10.81	382.58	3.92	-6.89
CCCC(NC(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007162	1	58	0.0	-7.61	408.06	4.86	-2.75
CCCC(NC(=O)C(CCOC(C)C)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007163	1	59	0.0	-18.30	456.58	3.49	-14.80
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=NNN=N1	REAL000000007164	1	53	0.0	-9.83	411.18	4.39	-5.44
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=NNN=N1	REAL000000007165	1	49	0.0	-11.69	405.23	-1.22	-12.91
CCCC(NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=NNN=N1	REAL000000007166	1	41	0.0	-11.53	345.46	4.69	-6.84
CCCC(NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=NNN=N1	REAL000000007167	1	43	0.0	-18.71	358.94	2.19	-16.51
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=NNN=N1	REAL000000007168	1	34	0.0	-11.35	313.63	2.28	-9.07
CCCC(NC(=O)C1=CC2=NC=C(C(C)C)C=C2N1)C1=NNN=N1	REAL000000007169	1	45	0.0	-13.96	366.63	3.60	-10.36
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCO2)C1=NNN=N1	REAL000000007170	1	39	0.0	-13.02	346.06	3.47	-9.55
CCCC(NC(=O)C1=C(Br)SC2=C1SN=N2)C1=NNN=N1	REAL000000007171	1	31	0.0	-7.93	309.10	1.68	-6.25
CCCC(NC(=O)C1=NC2=CC(Br)=CN=C2N1)C1=NNN=N1	REAL000000007172	1	35	0.0	-9.17	323.79	2.30	-6.87
CCCC(NC(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=NNN=N1	REAL000000007173	1	57	0.0	-23.29	446.20	2.59	-20.71
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=NNN=N1	REAL000000007174	1	60	0.0	-13.32	443.42	5.67	-7.64
CCCC(NC(=O)C(CCOCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007175	1	56	0.0	-10.60	435.47	1.94	-8.66
C#CCC1(C(=O)NC(CCC)C2=NNN=N2)CCN(C(=O)OC(C)(C)C)C1	REAL000000007176	1	55	0.0	-15.53	429.00	5.63	-9.90
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=NNN=N1	REAL000000007177	1	55	0.0	-11.24	419.71	5.21	-6.03
CCCC(NC(=O)C1=CC(Br)=CC(OCC)=C1N)C1=NNN=N1	REAL000000007178	1	42	0.0	-8.56	359.84	2.83	-5.72
CCCC(NC(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=NNN=N1	REAL000000007179	1	57	0.0	-8.86	431.77	5.01	-3.85
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=NNN=N1	REAL000000007180	1	40	0.0	-9.42	341.39	5.86	-3.56
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=NNN=N1	REAL000000007181	1	53	0.0	-12.74	420.47	2.98	-9.76
C=CCN(CCC(=O)NC(CCC)C1=NNN=N1)C(=O)OC(C)(C)C	REAL000000007182	1	53	0.0	-10.01	412.81	4.83	-5.18
CCCC(NC(=O)C(CC(C)C)ONC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007183	1	56	0.0	-18.14	435.04	5.10	-13.04
CCCC(NC(=O)C1=CC=C2C=CC=CC2=C1C)C1=NNN=N1	REAL000000007184	1	42	0.0	-10.84	335.88	6.46	-4.38
CCCC(NC(=O)CCC1=CC=CC(OC)=N1)C1=NNN=N1	REAL000000007185	1	42	0.0	-11.85	350.15	1.87	-9.98
CCCC(NC(=O)C1=NN(C)C2=C1COCC2)C1=NNN=N1	REAL000000007186	1	41	0.0	-14.17	334.93	1.41	-12.76
CCCC(NC(=O)C1=CC2=C(C=CS2)N1C)C1=NNN=N1	REAL000000007187	1	37	0.0	-10.82	319.95	4.26	-6.57
CCCC(NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=NNN=N1	REAL000000007188	1	39	0.0	-12.24	332.70	3.01	-9.23
CCCC(NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=NNN=N1	REAL000000007189	1	43	0.0	-11.53	346.39	4.10	-7.43
CCCC(NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007190	1	54	0.0	-14.81	424.85	1.24	-13.57
CCCC(NC(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=NNN=N1	REAL000000007191	1	40	0.0	-14.47	360.64	3.55	-10.93
CCCC(NC(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007192	1	53	0.0	-13.66	414.90	1.12	-12.54
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007193	1	56	0.0	-11.58	427.97	5.05	-6.53
CCCC(NC(=O)C1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007194	1	51	0.0	-11.66	405.40	1.64	-10.02
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=NNN=N1	REAL000000007195	1	60	0.0	-10.25	454.35	5.08	-5.17
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=NNN=N1	REAL000000007196	1	59	0.0	-10.18	445.78	4.34	-5.85
CCCC(NC(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007197	1	60	0.0	-12.55	449.42	4.49	-8.06
CCCC(NC(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007198	1	57	0.0	-16.69	435.14	1.97	-14.73
CCCC(NC(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007199	1	59	0.0	-10.78	432.76	3.96	-6.82
CCCC(NC(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=NNN=N1	REAL000000007200	1	49	0.0	-13.54	409.52	2.71	-10.83
CCCC(NC(=O)C1=C(Br)N(C)N=C1OC)C1=NNN=N1	REAL000000007201	1	37	0.0	-13.18	337.81	-0.26	-13.44
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=NNN=N1	REAL000000007202	1	40	0.0	-16.94	338.52	2.64	-14.30
CCCC(NC(=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1)C1=NNN=N1	REAL000000007203	1	57	0.0	-13.78	444.03	1.87	-11.91
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=NNN=N1	REAL000000007204	1	36	0.0	-10.90	316.82	3.21	-7.69
CCCC(NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=NNN=N1	REAL000000007205	1	46	0.0	-30.38	378.37	2.88	-27.50
CCCC(NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=NNN=N1	REAL000000007206	1	39	0.0	-10.48	351.56	5.62	-4.85
CCCC(NC(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=NNN=N1	REAL000000007207	1	36	0.0	-12.65	344.96	6.11	-6.54
CCCC(NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=NNN=N1	REAL000000007208	1	45	0.0	-14.05	351.25	0.38	-13.66
CCCC(NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=NNN=N1	REAL000000007209	1	40	0.0	-13.14	334.83	5.53	-7.61
CCCC(NC(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=NNN=N1	REAL000000007210	1	49	0.0	-15.70	384.57	6.42	-9.29
CCCC(NC(=O)C1=C2C=CC(OC)=CC2=NC=C1)C1=NNN=N1	REAL000000007213	1	42	0.0	-14.10	343.25	3.32	-10.78
CCCC(NC(=O)C1CCC(SCC)CC1)C1=NNN=N1	REAL000000007214	1	46	0.0	-8.57	352.80	5.36	-3.20
CCCC(NC(=O)CCC1=CC(C)=NC(C)=C1)C1=NNN=N1	REAL000000007215	1	44	0.0	-12.09	361.86	4.60	-7.49
CCCC(NC(=O)C1=CC=C2C=C(C)C=CC2=C1)C1=NNN=N1	REAL000000007216	1	42	0.0	-11.73	345.14	6.57	-5.16
CCCC(NC(=O)C1=CSC(Cl)=C1Cl)C1=NNN=N1	REAL000000007217	1	30	0.0	-12.71	299.06	3.69	-9.02
CCCC(NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=NNN=N1	REAL000000007218	1	45	0.0	-17.37	371.05	3.13	-14.24
CCCC(NC(=O)C1=CN(C2CCC2)N=C1C)C1=NNN=N1	REAL000000007219	1	43	0.0	-10.18	338.99	3.66	-6.52
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=NNN=N1	REAL000000007220	1	40	0.0	-9.82	337.91	4.54	-5.28
CCCC(NC(=O)C1=CNC=C1Br)C1=NNN=N1	REAL000000007221	1	31	0.0	-16.25	284.46	2.14	-14.11
CCCC(NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=NNN=N1	REAL000000007222	1	43	0.0	-21.64	375.57	3.30	-18.34
CCCC(NC(=O)C1CC(OC(F)(F)F)C1)C1=NNN=N1	REAL000000007223	1	37	0.0	-11.14	321.36	2.19	-8.95
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=NNN=N1	REAL000000007224	1	36	0.0	-19.25	325.01	-0.87	-20.13
CCCC(NC(=O)CC1=CC=C2COCCC2=C1)C1=NNN=N1	REAL000000007225	1	44	0.0	-13.33	356.07	4.42	-8.91
CCCC(NC(=O)CC1=CC=C2CCOCC2=C1)C1=NNN=N1	REAL000000007226	1	44	0.0	-13.39	356.07	4.42	-8.96
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=NNN=N1	REAL000000007227	1	42	0.0	-11.38	353.52	5.37	-6.01
CCCC(NC(=O)C1=CC=C(Br)C(C)=N1)C1=NNN=N1	REAL000000007228	1	35	0.0	-6.44	307.49	2.74	-3.70
CCCC(NC(=O)C1=NC=C(Br)C=C1OC)C1=NNN=N1	REAL000000007229	1	36	0.0	-10.72	323.77	3.11	-7.61
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=NNN=N1	REAL000000007230	1	42	0.0	-21.19	360.94	1.31	-19.88
CCCC(NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=NNN=N1	REAL000000007231	1	40	0.0	-16.59	342.16	4.96	-11.63
CCCC(NC(=O)C1=CN(C2=CC=C(CC)C=C2)N=N1)C1=NNN=N1	REAL000000007232	1	45	0.0	-11.10	377.91	4.78	-6.32
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007233	1	48	0.0	-15.48	406.54	3.08	-12.39
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000007234	1	48	0.0	-18.28	406.57	3.08	-15.20
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=NNN=N1	REAL000000007236	1	43	0.0	-12.19	379.79	5.32	-6.87
CCCC(NC(=O)CC1CCCC(F)(F)C1)C1=NNN=N1	REAL000000007237	1	42	0.0	-14.01	333.31	4.73	-9.28
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=NNN=N1	REAL000000007238	1	54	0.0	-11.27	417.45	8.81	-2.46
CCCC(NC(=O)C1=C(CC)N=C2C=C(F)C=CC2=C1)C1=NNN=N1	REAL000000007239	1	44	0.0	-13.81	360.19	5.45	-8.36
CCCC(NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=NNN=N1	REAL000000007240	1	41	0.0	-14.37	345.74	3.47	-10.89
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=NNN=N1	REAL000000007241	1	48	0.0	-18.09	376.06	6.10	-11.99
CCCC(NC(=O)C1=CC2=CN=CC(Br)=C2S1)C1=NNN=N1	REAL000000007242	1	35	0.0	-9.58	332.54	3.91	-5.67
CCCC(NC(=O)C1CCC(=O)N(C2CC2)C1)C1=NNN=N1	REAL000000007243	1	44	0.0	-14.44	347.98	3.34	-11.10
CCCC(NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=NNN=N1	REAL000000007244	1	49	0.0	-13.21	386.36	3.17	-10.05
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=NNN=N1	REAL000000007245	1	46	0.0	-11.55	367.57	4.51	-7.05
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=NNN=N1	REAL000000007246	1	40	0.0	-10.87	351.05	6.15	-4.72
CCCC(NC(=O)C1=CC(Cl)=NC=C1C#N)C1=NNN=N1	REAL000000007247	1	33	0.0	-14.03	307.32	2.57	-11.46
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=NNN=N1	REAL000000007248	1	38	0.0	-23.82	314.32	2.63	-21.18
CCCC(NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=NNN=N1	REAL000000007249	1	43	0.0	-13.22	349.38	2.89	-10.33
CCCC(NC(=O)C1=CC=C(CC)C(Cl)=C1)C1=NNN=N1	REAL000000007250	1	39	0.0	-9.13	334.31	5.50	-3.63
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=NNN=N1	REAL000000007251	1	47	0.0	-10.00	374.70	2.80	-7.20
CCCC(NC(=O)C1=NSC2=CC(Br)=CC=C21)C1=NNN=N1	REAL000000007252	1	35	0.0	-8.15	329.73	4.29	-3.86
CCCC(NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=NNN=N1	REAL000000007253	1	36	0.0	-8.90	319.08	4.28	-4.61
CCCC(NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=NNN=N1	REAL000000007254	1	35	0.0	-15.01	324.98	3.69	-11.33
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1F)C1=NNN=N1	REAL000000007255	1	40	0.0	-14.28	350.03	5.57	-8.71
CCCC(NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=NNN=N1	REAL000000007256	1	39	0.0	-15.67	332.98	0.97	-14.70
CCCC(NC(=O)C1=CN=C2CCCCC2=C1)C1=NNN=N1	REAL000000007257	1	42	0.0	-10.56	335.71	4.35	-6.21
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C1=NNN=N1	REAL000000007258	1	41	0.0	-10.34	340.24	5.74	-4.60
CCCC(NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000007259	1	43	0.0	-8.47	354.22	6.33	-2.13
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2CCOC)C1=NNN=N1	REAL000000007260	1	47	0.0	-13.66	386.98	5.37	-8.29
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=NNN=N1	REAL000000007261	1	46	0.0	-13.52	371.33	6.80	-6.72
CCCC(NC(=O)C=CC1=CC=C2OCOC2=C1)C1=NNN=N1	REAL000000007262	1	40	0.0	-14.08	338.30	3.53	-10.55
CCCC(NC(=O)C1=CC=C2C=NC=C(Br)C2=C1)C1=NNN=N1	REAL000000007263	1	38	0.0	-15.01	337.43	4.66	-10.35
C=CCOCC(C(=O)NC(CCC)C1=NNN=N1)C(C)(C)C	REAL000000007264	1	49	0.0	-5.52	365.54	4.61	-0.91
CCCC(NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=NNN=N1	REAL000000007265	1	45	0.0	-17.82	362.54	-0.06	-17.88
CCCC(NC(=O)C1=CC(C)=NN1C1CCC1)C1=NNN=N1	REAL000000007266	1	43	0.0	-10.90	347.41	4.19	-6.71
CCCC(NC(=O)C1=CC=NN1CCC(F)(F)F)C1=NNN=N1	REAL000000007267	1	39	0.0	-11.20	339.43	3.37	-7.83
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1OC)C1=NNN=N1	REAL000000007268	1	44	0.0	-12.00	374.22	5.61	-6.39
CCCC(NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=NNN=N1	REAL000000007269	1	39	0.0	-11.48	351.97	2.67	-8.81
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=NNN=N1	REAL000000007270	1	37	0.0	-12.93	334.50	5.40	-7.52
CCCC(NC(=O)C(COC(C)C)NC(C)=O)C1=NNN=N1	REAL000000007271	1	46	0.0	-16.94	369.88	1.67	-15.27
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007272	1	50	0.0	-8.64	399.33	6.36	-2.28
CCCC(NC(=O)CC1=CC=C2C=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000007273	1	46	0.0	-14.92	377.82	5.87	-9.05
CCCC(NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=NNN=N1	REAL000000007274	1	51	0.0	-8.82	393.14	7.50	-1.31
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=NNN=N1	REAL000000007275	1	33	0.0	-6.66	303.22	4.05	-2.61
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=NNN=N1	REAL000000007276	1	39	0.0	-13.09	339.84	4.34	-8.75
CCCC(NC(=O)C1=C2C=CC=CC2=C(F)C=N1)C1=NNN=N1	REAL000000007277	1	38	0.0	-8.92	321.58	4.21	-4.70
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)N=C1)C1=NNN=N1	REAL000000007278	1	42	0.0	-15.10	362.87	3.69	-11.41
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=NNN=N1	REAL000000007279	1	42	0.0	-9.59	349.38	5.43	-4.16
CCCC(NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000007280	1	42	0.0	-11.49	349.89	5.70	-5.80
CCCC(NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=NNN=N1	REAL000000007281	1	45	0.0	-11.76	357.93	3.81	-7.95
CCCC(NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=NNN=N1	REAL000000007282	1	40	0.0	-13.47	333.91	3.43	-10.04
CCCC(NC(=O)C1=C(CC)N=C(C2=NNC=N2)S1)C1=NNN=N1	REAL000000007284	1	41	0.0	-16.63	360.08	2.99	-13.64
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=NNN=N1	REAL000000007285	1	42	0.0	-14.20	373.74	4.13	-10.07
CCCC(NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=NNN=N1	REAL000000007287	1	43	0.0	-17.77	355.35	4.71	-13.05
CCCC(NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=NNN=N1	REAL000000007288	1	45	0.0	-15.98	375.64	2.06	-13.92
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=NNN=N1	REAL000000007289	1	46	0.0	-18.06	389.34	6.29	-11.78
CCCC(NC(=O)C1=C2CCN(C(=O)OC(C)(C)C)CC2=NN1)C1=NNN=N1	REAL000000007290	1	54	0.0	-11.00	416.40	2.95	-8.04
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=NNN=N1	REAL000000007292	1	51	0.0	-18.09	424.86	6.76	-11.33
CCCC(NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=NNN=N1	REAL000000007293	1	44	0.0	-16.33	362.19	3.51	-12.82
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=NNN=N1	REAL000000007294	1	39	0.0	-13.95	341.47	5.19	-8.76
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=NNN=N1	REAL000000007295	1	35	0.0	-15.18	311.21	-3.77	-18.95
CCCC(NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=NNN=N1	REAL000000007296	1	37	0.0	-12.69	318.97	3.44	-9.25
CCCC(NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=NNN=N1	REAL000000007297	1	43	0.0	-15.16	363.56	4.75	-10.41
CCCC(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007298	1	47	0.0	-19.73	380.95	2.59	-17.14
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=NNN=N1	REAL000000007299	1	37	0.0	-10.12	332.96	3.10	-7.02
CCCC(NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=NNN=N1	REAL000000007300	1	44	0.0	-11.00	354.42	1.66	-9.34
CCCC(NC(=O)CCC1=C(Br)C=CS1)C1=NNN=N1	REAL000000007301	1	36	0.0	-9.95	333.43	4.78	-5.17
CCCC(NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007303	1	54	0.0	-15.20	413.08	6.57	-8.63
CCCC(NC(=O)C1CCCC(F)(F)CC1)C1=NNN=N1	REAL000000007304	1	42	0.0	-9.55	315.92	4.17	-5.39
CCCC(NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=NNN=N1	REAL000000007305	1	41	0.0	-18.60	343.17	4.69	-13.91
CCCC(NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=NNN=N1	REAL000000007306	1	40	0.0	-12.82	339.20	5.89	-6.93
CCCC(NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=NNN=N1	REAL000000007307	1	52	0.0	-19.95	422.03	5.75	-14.20
CCCC(NC(=O)C1=C2C=NSC2=CC=C1)C1=NNN=N1	REAL000000007308	1	35	0.0	-14.74	305.37	3.72	-11.02
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=NNN=N1	REAL000000007309	1	39	0.0	-19.18	350.90	1.71	-17.47
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=NNN=N1	REAL000000007310	1	35	0.0	-8.62	320.03	2.62	-6.01
CCCC(NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000007311	1	49	0.0	-11.57	404.87	1.53	-10.04
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=NNN=N1	REAL000000007312	1	38	0.0	-8.83	335.07	3.89	-4.94
CCCC(NC(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007313	1	55	0.0	-17.09	432.20	1.74	-15.35
CCCC(NC(=O)C1=CC=C2C=C(N(C)C)C=CC2=C1)C1=NNN=N1	REAL000000007314	1	47	0.0	-12.39	375.13	6.31	-6.08
CCCC(NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007315	1	54	0.0	-17.98	420.57	2.36	-15.62
C#CC1=CC=C(C2CC2C(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007316	1	42	0.0	-12.92	349.53	6.78	-6.14
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=NNN=N1	REAL000000007317	1	45	0.0	-10.47	362.21	4.45	-6.03
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1OC)C1=NNN=N1	REAL000000007318	1	49	0.0	-16.38	406.19	4.16	-12.22
CCCC(NC(=O)C1=C2C(=O)NCCN2N=C1)C1=NNN=N1	REAL000000007319	1	38	0.0	-21.32	316.75	0.40	-20.92
CC=CC1=CC=C(OCC(=O)NC(CCC)C2=NNN=N2)C(OC)=C1	REAL000000007320	1	48	0.0	-17.57	393.28	5.97	-11.60
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=NNN=N1	REAL000000007321	1	57	0.0	-13.19	434.96	2.65	-10.54
CCCC(NC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007322	1	57	0.0	-13.72	424.19	4.92	-8.80
CCCC(NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=NNN=N1	REAL000000007323	1	40	0.0	-14.57	339.37	2.38	-12.19
CCCC(NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=NNN=N1	REAL000000007324	1	50	0.0	-14.10	383.29	6.18	-7.92
CCCC(NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=NNN=N1	REAL000000007325	1	44	0.0	-16.85	372.64	1.03	-15.82
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=NNN=N1	REAL000000007326	1	60	0.0	-15.57	446.24	6.11	-9.46
CCCC(NC(=O)C1=CC=C2C=CC=C(Br)C2=C1)C1=NNN=N1	REAL000000007327	1	39	0.0	-14.13	342.21	6.42	-7.71
CCCC(NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000007328	1	45	0.0	-17.49	374.01	7.42	-10.07
CCCC(NC(=O)C1=CN=C2C(F)=CC(C)=CC2=C1)C1=NNN=N1	REAL000000007329	1	41	0.0	-12.91	346.63	4.78	-8.13
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=NNN=N1	REAL000000007330	1	46	0.0	-7.31	372.19	5.08	-2.24
CCCC(NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=NNN=N1	REAL000000007331	1	39	0.0	-13.51	341.60	-0.19	-13.71
CCCC(NC(=O)C1=CC2=C(OC)C=CC(C)=C2N1)C1=NNN=N1	REAL000000007332	1	44	0.0	-13.75	362.19	3.55	-10.19
CCCCOC1=CC=C(CC(=O)NC(CCC)C2=NNN=N2)C=C1	REAL000000007333	1	49	0.0	-9.86	389.52	5.83	-4.03
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=NNN=N1	REAL000000007334	1	50	0.0	-19.39	415.44	2.05	-17.34
CCCC(NC(=O)C1=CC=C2N=C(OC)C=CC2=C1)C1=NNN=N1	REAL000000007335	1	42	0.0	-12.59	350.96	2.54	-10.05
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=NNN=N1	REAL000000007337	1	43	0.0	-12.16	374.65	4.42	-7.74
CCCC(NC(=O)C1=CC(Cl)=C(Cl)S1)C1=NNN=N1	REAL000000007338	1	30	0.0	-8.80	302.90	3.76	-5.04
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=NNN=N1	REAL000000007339	1	44	0.0	-10.09	351.75	4.29	-5.80
CCCC(NC(=O)C1CCC2(CC(OC)C2)CC1)C1=NNN=N1	REAL000000007340	1	50	0.0	-10.98	380.81	4.55	-6.42
CCCC(CCC1=CC=CC=C1)C(=O)NC(CCC)C1=NNN=N1	REAL000000007341	1	51	0.0	-11.71	398.69	7.72	-3.99
CCCC(NC(=O)C1CCC(C(C)(C)CC)CC1)C1=NNN=N1	REAL000000007342	1	54	0.0	-9.25	386.53	6.46	-2.79
CCCC(NC(=O)C1=CN=C2C=CC(C)=CC2=C1)C1=NNN=N1	REAL000000007343	1	41	0.0	-11.70	340.40	4.68	-7.02
CCCC(NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=NNN=N1	REAL000000007344	1	38	0.0	-15.99	335.29	1.26	-14.73
CCCC(NC(=O)C1CCC2(CC(=O)C2)CC1)C1=NNN=N1	REAL000000007345	1	45	0.0	-14.09	350.86	4.70	-9.39
CCCC(NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=NNN=N1	REAL000000007346	1	40	0.0	-17.68	333.69	3.42	-14.26
CCCC(NC(=O)C(CC)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000007347	1	48	0.0	-11.78	377.26	6.96	-4.82
CCCC(NC(=O)C(F)(F)C1(OC)CCCC1)C1=NNN=N1	REAL000000007348	1	43	0.0	-7.76	336.92	3.28	-4.48
CCCC(NC(=O)CCC1=CC=C2CCOCC2=C1)C1=NNN=N1	REAL000000007349	1	47	0.0	-11.37	377.47	5.22	-6.15
CCCC(NC(=O)C1CC12CCC(F)(F)CC2)C1=NNN=N1	REAL000000007350	1	43	0.0	-11.37	344.00	5.28	-6.09
CCCC(NC(=O)C1=CC=C(C)C(Br)=N1)C1=NNN=N1	REAL000000007351	1	35	0.0	-9.61	314.64	3.01	-6.60
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=NNN=N1	REAL000000007352	1	43	0.0	-10.65	350.94	4.62	-6.03
CCCC(NC(=O)C1=C2C=CC=NC2=NC(Cl)=C1)C1=NNN=N1	REAL000000007353	1	37	0.0	-14.15	325.76	3.50	-10.65
CCCC(NC(=O)C1=CC(C(=O)OC)=CS1)C1=NNN=N1	REAL000000007354	1	36	0.0	-15.73	325.79	3.30	-12.43
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NNN=N1	REAL000000007355	1	44	0.0	-10.12	349.23	4.18	-5.93
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=NNN=N1	REAL000000007356	1	41	0.0	-7.87	360.14	5.44	-2.43
CCCC(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=NNN=N1	REAL000000007357	1	47	0.0	-18.79	375.90	5.07	-13.72
CCCC(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=NNN=N1	REAL000000007358	1	44	0.0	-13.30	352.97	5.40	-7.90
CCCC(NC(=O)CCC1=CC=CC(Br)=C1F)C1=NNN=N1	REAL000000007359	1	39	0.0	-12.84	349.80	5.77	-7.07
CCCC(NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=NNN=N1	REAL000000007360	1	39	0.0	-12.76	335.63	2.53	-10.23
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)OC)C1=NNN=N1	REAL000000007361	1	44	0.0	-19.87	347.33	3.26	-16.61
CCCC(NC(=O)C(=O)C1=CC=C(CC)S1)C1=NNN=N1	REAL000000007362	1	38	0.0	-6.66	326.06	3.80	-2.87
CCCC(NC(=O)C1=CC(F)=C(OC)C=C1Br)C1=NNN=N1	REAL000000007363	1	37	0.0	-10.55	329.59	3.68	-6.87
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=NNN=N1	REAL000000007364	1	51	0.0	-12.59	404.63	3.26	-9.33
CCCC(NC(=O)C1=CC(C2CCCC2)=NN1)C1=NNN=N1	REAL000000007365	1	43	0.0	-10.40	344.09	3.22	-7.18
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=NNN=N1	REAL000000007366	1	45	0.0	-15.00	368.06	2.22	-12.78
CCCC(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NNN=N1	REAL000000007367	1	41	0.0	-13.97	331.79	2.82	-11.14
CCCC(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NNN=N1	REAL000000007368	1	41	0.0	-12.11	340.28	2.28	-9.82
CCCC(NC(=O)C1=C2C=CC=C(C(=O)OC)C2=CC=C1)C1=NNN=N1	REAL000000007369	1	45	0.0	-13.15	368.53	6.38	-6.77
CCCC(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=NNN=N1	REAL000000007370	1	40	0.0	-12.96	327.04	0.32	-12.64
CCCC(NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=NNN=N1	REAL000000007371	1	38	0.0	-11.50	324.94	3.36	-8.15
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=NNN=N1	REAL000000007372	1	41	0.0	-17.91	347.28	1.95	-15.96
CCCC(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=NNN=N1	REAL000000007373	1	42	0.0	-18.10	343.88	1.62	-16.48
CCCC(NC(=O)C1=CC=C2C=CN=C(Cl)C2=N1)C1=NNN=N1	REAL000000007374	1	37	0.0	-12.65	332.35	2.84	-9.82
CCCC(NC(=O)C(COCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007375	1	53	0.0	-11.57	421.31	1.46	-10.11
CCCC(NC(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007376	1	60	0.0	-13.73	444.51	5.90	-7.83
CCCC(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007377	1	56	0.0	-16.93	426.28	4.86	-12.06
CCCC(NC(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007378	1	60	0.0	-13.12	459.07	6.68	-6.44
CCCC(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007379	1	53	0.0	-14.71	412.72	2.94	-11.77
CCCC(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007380	1	54	0.0	-16.11	424.10	3.83	-12.28
CCCC(NC(=O)C(C)OC1=CC=CC=C1OC)C1=NNN=N1	REAL000000007381	1	44	0.0	-17.57	357.16	4.62	-12.96
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=NNN=N1	REAL000000007382	1	47	0.0	-19.64	380.04	2.17	-17.47
CCCC(NC(=O)C1CCC(C2CCCO2)O1)C1=NNN=N1	REAL000000007384	1	45	0.0	-12.95	356.34	2.97	-9.98
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NNN=N1	REAL000000007385	1	36	0.0	-14.42	329.06	5.08	-9.34
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=NNN=N1	REAL000000007386	1	38	0.0	-12.04	329.08	5.04	-7.01
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NNN=N1	REAL000000007387	1	38	0.0	-20.03	313.34	1.97	-18.06
CCCC(NC(=O)C1=CN=C2OCCCC2=C1)C1=NNN=N1	REAL000000007388	1	40	0.0	-12.82	326.49	1.17	-11.64
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NNN=N1	REAL000000007389	1	38	0.0	-10.79	331.64	2.88	-7.92
CCCC(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=NNN=N1	REAL000000007390	1	42	0.0	-8.12	355.50	6.05	-2.06
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=NNN=N1	REAL000000007391	1	36	0.0	-10.13	328.86	4.94	-5.19
CCCC(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=NNN=N1	REAL000000007392	1	44	0.0	-18.24	372.27	-0.13	-18.37
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=NNN=N1	REAL000000007393	1	39	0.0	-9.49	355.85	6.07	-3.42
CCCC(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NNN=N1	REAL000000007394	1	46	0.0	-11.68	385.51	7.12	-4.56
CCCC(NC(=O)CCN(OC)C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007395	1	50	0.0	-11.82	401.29	3.73	-8.09
CCCC(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=NNN=N1	REAL000000007396	1	35	0.0	-11.62	318.85	1.53	-10.09
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=NNN=N1	REAL000000007397	1	46	0.0	-10.57	378.19	2.27	-8.30
CCCC(NC(=O)C1=CC(C(=O)OC)=NC=C1F)C1=NNN=N1	REAL000000007398	1	38	0.0	-12.15	333.29	2.59	-9.57
CCCC(NC(=O)C1=CC(C)=CC2=C1OCC2)C1=NNN=N1	REAL000000007399	1	41	0.0	-15.16	334.07	5.08	-10.08
CCCC(NC(=O)C1=C2SC=CC2=CN=C1)C1=NNN=N1	REAL000000007400	1	35	0.0	-12.57	307.44	3.25	-9.32
CCCC(NC(=O)CC1=CC=CC=C1COC(C)C)C1=NNN=N1	REAL000000007401	1	49	0.0	-12.62	393.75	5.83	-6.79
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=NNN=N1	REAL000000007402	1	40	0.0	-10.51	358.93	6.47	-4.04
CCCC(NC(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=NNN=N1	REAL000000007403	1	41	0.0	-17.96	366.86	5.65	-12.32
CCCC(NC(=O)CN1C=C(I)C=N1)C1=NNN=N1	REAL000000007404	1	33	0.0	-15.44	310.81	2.86	-12.58
CCCC(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=NNN=N1	REAL000000007405	1	36	0.0	-11.66	324.57	4.57	-7.08
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=NNN=N1	REAL000000007406	1	39	0.0	-14.58	335.84	1.97	-12.62
CCCC(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=NNN=N1	REAL000000007407	1	43	0.0	-18.68	358.47	-0.34	-19.02
CCCC(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=NNN=N1	REAL000000007408	1	33	0.0	-6.58	312.29	0.00	-6.57
CCCC(NC(=O)C1=C2N=CC=CC2=C(OC)C(Cl)=C1)C1=NNN=N1	REAL000000007409	1	42	0.0	-14.55	365.10	4.53	-10.02
CCCC(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=NNN=N1	REAL000000007410	1	48	0.0	-11.60	386.05	3.43	-8.17
CCCC(NC(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1F)C1=NNN=N1	REAL000000007413	1	50	0.0	-19.49	414.69	4.32	-15.17
CCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL000000007414	0	48	0.0	-72.88	382.49	5.35	-67.53
CCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL000000007414	1	48	0.0	-72.88	382.44	5.34	-67.54
CCCC(NC(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=NNN=N1	REAL000000007415	1	42	0.0	-15.18	350.59	2.92	-12.27
CCCC(NC(=O)C(F)(F)CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000007416	1	39	0.0	-6.51	348.10	5.54	-0.97
CCCC(NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)NC1=O)C1=NNN=N1	REAL000000007417	1	55	0.0	-12.98	405.13	4.97	-8.00
CCCC(NC(=O)C1=COC(CN2C=C(Br)C=N2)=C1)C1=NNN=N1	REAL000000007418	1	40	0.0	-17.46	367.09	4.09	-13.37
CCCC(NC(=O)CC1=C(F)C=CC(F)=C1Br)C1=NNN=N1	REAL000000007419	1	36	0.0	-11.44	331.45	4.92	-6.51
CCCC(NC(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1)C1=NNN=N1	REAL000000007420	1	47	0.0	-24.49	383.75	3.56	-20.93
CCCC(NC(=O)C1=CC=CC(S(C)(=O)=NC)=C1)C1=NNN=N1	REAL000000007422	1	43	0.0	-20.88	365.87	1.08	-19.80
CCCC(NC(=O)CCCONC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007423	1	50	0.0	-19.02	403.73	2.53	-16.50
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007424	1	43	0.0	-11.37	368.24	4.36	-7.01
CCCC(NC(=O)C1=C(C)N(C(C)C(C)C)N=C1)C1=NNN=N1	REAL000000007425	1	48	0.0	-11.26	378.22	4.89	-6.38
CCCSC1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000007426	1	43	0.0	-12.91	360.87	6.34	-6.58
CCCC(NC(=O)C1CCCC2=CC(OC)=CC=C21)C1=NNN=N1	REAL000000007427	1	47	0.0	-12.50	370.25	5.11	-7.39
CCCC(NC(=O)C1=NC(OC)=CC=C1Cl)C1=NNN=N1	REAL000000007428	1	36	0.0	-9.92	319.66	1.02	-8.90
CCCC(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)C1=NNN=N1	REAL000000007429	1	42	0.0	-8.93	358.84	5.54	-3.39
CCCCSC1=CC=CC(C(=O)NC(CCC)C2=NNN=N2)=C1	REAL000000007430	1	46	0.0	-12.89	382.37	7.12	-5.77
CCCC(NC(=O)C1CCC2=NC=NC(C)=C2C1)C1=NNN=N1	REAL000000007431	1	44	0.0	-12.80	349.34	4.57	-8.23
CCCC(NC(=O)C(O)C1=CC=C(Cl)C=C1Cl)C1=NNN=N1	REAL000000007432	1	37	0.0	-8.86	333.99	3.50	-5.36
CCCC(NC(=O)CN1C(=O)C(C)C(C)C1=O)C1=NNN=N1	REAL000000007433	1	42	0.0	-16.78	343.64	2.44	-14.35
CCCC(NC(=O)CC1=C(Br)C=CC(Cl)=C1F)C1=NNN=N1	REAL000000007434	1	36	0.0	-8.28	334.70	5.05	-3.23
CCCC(NC(=O)CC1=C2C=CC=CC2=C(Br)C=C1)C1=NNN=N1	REAL000000007435	1	42	0.0	-13.33	363.46	6.96	-6.37
CCCC(NC(=O)C1=COC2=CC=C(Br)C=C12)C1=NNN=N1	REAL000000007436	1	36	0.0	-14.99	327.71	4.61	-10.38
CCCC(NC(=O)C1CCC(OC(F)(F)F)CC1)C1=NNN=N1	REAL000000007437	1	43	0.0	-11.45	345.39	3.26	-8.20
CCCC(NC(=O)C(C)CC1=CC=C(Cl)C(Cl)=C1)C1=NNN=N1	REAL000000007438	1	42	0.0	-10.39	371.03	6.58	-3.81
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2O1)C1=NNN=N1	REAL000000007439	1	36	0.0	-8.70	330.22	4.66	-4.04
CCCC(NC(=O)C1=CN(CC(C)NC(=O)OC(C)(C)C)N=C1)C1=NNN=N1	REAL000000007440	1	56	0.0	-17.39	451.17	2.91	-14.49
CCCC(NC(=O)CC1CCC2(CCCC2)CC1)C1=NNN=N1	REAL000000007441	1	52	0.0	-9.37	380.12	6.76	-2.62
CCCC(NC(=O)C1=CC=CC2=C1OCC2C)C1=NNN=N1	REAL000000007442	1	41	0.0	-11.70	326.30	4.65	-7.05
CCCC(NC(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=NNN=N1	REAL000000007443	1	39	0.0	-9.64	337.83	4.32	-5.32
CCCC(NC(=O)C1CC(OC)CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007444	1	57	0.0	-11.60	439.26	3.55	-8.05
CCCC(NC(=O)C1=CN=C2CCOCC2=C1)C1=NNN=N1	REAL000000007445	1	40	0.0	-11.34	326.67	1.94	-9.41
CCCC(NC(=O)CC1COCC2=CC=CC=C21)C1=NNN=N1	REAL000000007446	1	44	0.0	-9.00	340.52	3.89	-5.11
CCCC(NC(=O)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)C1=NNN=N1	REAL000000007447	1	45	0.0	-19.85	380.50	4.43	-15.42
CCCC(NC(=O)C#CC1=CC=C(Br)C=C1)C1=NNN=N1	REAL000000007448	1	35	0.0	-9.95	330.79	5.61	-4.34
CCCC(NC(=O)CC1COC(CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007449	1	57	0.0	-14.74	444.11	2.02	-12.72
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1)C1=NNN=N1	REAL000000007450	1	54	0.0	-12.30	407.49	3.61	-8.69
CCCC(NC(=O)CC1CCCCCC1(F)F)C1=NNN=N1	REAL000000007451	1	45	0.0	-7.30	328.72	4.56	-2.74
CCCC(NC(=O)C(C)C1=CC=C(C2=CC=CC=C2Cl)C=C1)C1=NNN=N1	REAL000000007452	1	49	0.0	-13.25	411.28	8.86	-4.39
CCCC(NC(=O)C1=C2C=C(C(=O)OC)C=CC2=NN1)C1=NNN=N1	REAL000000007453	1	42	0.0	-16.47	359.39	2.99	-13.48
CCCC(NC(=O)C1CC(C2CN(C(=O)OC(C)(C)C)C2)=NO1)C1=NNN=N1	REAL000000007454	1	55	0.0	-20.08	435.08	4.02	-16.06
CCCC(NC(=O)C(CC(=O)OC)[NH+]1CCCCC1)C1=NN=N[N-]1	REAL000000007455	1	50	0.0	-45.25	379.79	4.97	-40.28
CCCC(NC(=O)[C@@]1(F)C[C@@H](C(=O)OCC)C1)C1=NNN=N1	REAL000000007456	1	42	0.0	-11.73	351.82	4.29	-7.44
CCCC(NC(=O)[C@@]1(F)C[C@H](C(=O)OCC)C1)C1=NNN=N1	REAL000000007457	1	42	0.0	-9.60	351.67	4.24	-5.37
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1)C1=NNN=N1	REAL000000007458	1	50	0.0	-13.55	407.99	0.47	-13.08
CCCC(NC(=O)CC1CCCCN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007459	1	56	0.0	-10.44	417.78	5.57	-4.87
CCCC(NC(=O)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C1=NNN=N1	REAL000000007460	1	57	0.0	-12.42	426.43	5.05	-7.36
CCCC(NC(=O)C12CC(C)(C1)CN2C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007461	1	54	0.0	-10.66	410.39	4.76	-5.90
CCCC(NC(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007462	1	45	0.0	-15.34	367.15	6.57	-8.77
CCCC(NC(=O)C1CCS(=O)(=O)C(C)C1)C1=NNN=N1	REAL000000007463	1	42	0.0	-20.42	342.41	0.68	-19.73
CCCC(NC(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=NNN=N1	REAL000000007464	1	47	0.0	-9.68	365.73	7.21	-2.46
CCCC(NC(=O)C1=CC=CC(N2CCCNS2(=O)=O)=C1)C1=NNN=N1	REAL000000007465	1	47	0.0	-15.31	384.07	0.34	-14.96
CCCC(NC(=O)C1CC(=O)N(C(C)C2CC2)C1)C1=NNN=N1	REAL000000007466	1	47	0.0	-12.86	369.19	4.16	-8.70
CCCC(NC(=O)C1CCC2=NC(CC)=CN2C1)C1=NNN=N1	REAL000000007467	1	46	0.0	-14.31	365.75	5.14	-9.17
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000007468	1	46	0.0	-12.26	380.52	8.09	-4.17
CCCC(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(Cl)C=C2)C1)C1=NNN=N1	REAL000000007469	1	50	0.0	-18.00	411.56	6.70	-11.30
CCCC(NC(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=NNN=N1	REAL000000007470	1	38	0.0	-10.54	320.84	3.23	-7.31
CCCC(NC(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=NNN=N1	REAL000000007471	1	47	0.0	-13.78	379.73	5.57	-8.21
CCCC(NC(=O)CCCOC1=CC=CC([N+](=O)[O-])=C1)C1=NNN=N1	REAL000000007472	1	45	0.0	-20.00	381.93	5.42	-14.58
CCCC(NC(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=NNN=N1	REAL000000007473	1	41	0.0	-21.38	343.86	4.35	-17.03
CCCC(NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1F)C1=NNN=N1	REAL000000007475	1	50	0.0	-11.52	396.38	3.71	-7.80
CCCC(NC(=O)C(F)C(C)CNC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007476	1	52	0.0	-14.42	413.60	2.57	-11.85
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007477	1	57	0.0	-12.41	434.58	5.37	-7.04
CCCC(NC(=O)[C@H](CF)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007478	1	46	0.0	-12.21	369.90	1.41	-10.80
CCCC(NC(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=NNN=N1	REAL000000007479	1	33	0.0	-9.23	316.46	4.72	-4.51
CCCC(NC(=O)C1=CC=CC(NC(=O)[C@@H]2C[C@H]2C)=C1)C1=NNN=N1	REAL000000007480	1	47	0.0	-21.30	386.32	4.82	-16.48
CCCC(NC(=O)COCC1CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007481	1	60	0.0	-14.01	455.71	5.32	-8.69
CCCC(NC(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=NNN=N1	REAL000000007482	1	40	0.0	-12.89	337.64	0.29	-12.60
CCCC(NC(=O)CCCOC1CCC(C)CC1)C1=NNN=N1	REAL000000007483	1	52	0.0	-12.04	400.03	5.61	-6.43
CCCC(NC(=O)C1=CC=C(NC(=O)[C@@H]2C[C@H]2C)C=C1)C1=NNN=N1	REAL000000007484	1	47	0.0	-14.14	386.21	4.83	-9.31
CCCC(NC(=O)CC1CC2=CC=CC=C2NC1=O)C1=NNN=N1	REAL000000007485	1	44	0.0	-18.60	355.82	4.64	-13.96
CCCC(NC(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=NNN=N1	REAL000000007486	1	50	0.0	-16.00	373.61	2.05	-13.95
CCCC(NC(=O)C1=CC=C(C2(OC)CCOCC2)N=C1)C1=NNN=N1	REAL000000007487	1	50	0.0	-11.10	392.21	2.38	-8.72
CCCC(NC(=O)C1=NOC(CCNC(=O)OC(C)(C)C)=C1)C1=NNN=N1	REAL000000007488	1	52	0.0	-14.92	426.37	2.31	-12.62
CCCC(NC(=O)C1=CC=C2SN=CC2=C1)C1=NNN=N1	REAL000000007489	1	35	0.0	-12.48	309.32	3.83	-8.65
CCCC(NC(=O)C1=CC=C(CN(C)C2=CC=CC=C2)C=C1)C1=NNN=N1	REAL000000007490	1	51	0.0	-13.25	405.94	7.82	-5.43
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN(C)C2=O)C1=NNN=N1	REAL000000007491	1	41	0.0	-17.82	344.20	4.35	-13.48
CCCC(NC(=O)C1=CC(C)=NC2=CC(C(F)(F)F)=NN21)C1=NNN=N1	REAL000000007492	1	41	0.0	-10.35	353.59	4.10	-6.25
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC(OC)=C(C)C=C1OC)C1=NNN=N1	REAL000000007493	1	51	0.0	-10.94	401.02	4.76	-6.18
CCCC(NC(=O)CC1CCCCC1(F)F)C1=NNN=N1	REAL000000007494	1	42	0.0	-8.45	332.18	4.67	-3.78
CCCC(NC(=O)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000007495	1	53	0.0	-9.80	409.64	3.60	-6.20
CCCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1=CC=CN=C1)C1=NNN=N1	REAL000000007496	1	55	0.0	-17.14	441.84	3.92	-13.22
CCCC(NC(=O)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=NNN=N1	REAL000000007497	1	55	0.0	-15.77	413.52	2.58	-13.18
CCCC(NC(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=NNN=N1	REAL000000007498	1	43	0.0	-14.33	353.00	4.65	-9.69
CCCC(NC(=O)C12CCC(C1)S(=O)(=O)CC2)C1=NNN=N1	REAL000000007499	1	43	0.0	-15.57	330.60	0.43	-15.14
CCCC(NC(=O)C1CCCC2=NC=CC=C21)C1=NNN=N1	REAL000000007500	1	42	0.0	-9.03	325.53	4.24	-4.79
CCCC(NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1(C)C)C1=NNN=N1	REAL000000007501	1	62	0.0	-10.05	446.87	6.11	-3.94
CCCC(NC(=O)[C@H](CSCC)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007502	1	53	0.0	-10.48	425.57	3.27	-7.21
CCCC(NC(=O)CCC1=C(F)C=CC=C1Cl)C1=NNN=N1	REAL000000007503	1	39	0.0	-11.23	343.11	5.59	-5.64
CCCC(NC(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=NNN=N1	REAL000000007504	1	40	0.0	-17.96	349.11	5.86	-12.10
CCCC(NC(=O)C1=CC=C(N2CCNS2(=O)=O)C=C1)C1=NNN=N1	REAL000000007506	1	44	0.0	-19.24	362.97	-0.56	-19.80
CCCC(NC(=O)CCC(F)(F)CN=[N+]=[N-])C1=NNN=N1	REAL000000007507	1	37	0.0	-11.06	326.36	-0.32	-11.38
CCCC(NC(=O)C1=C2CCCN2N=C1CN=[N+]=[N-])C1=NNN=N1	REAL000000007508	1	42	0.0	-13.00	352.99	-0.96	-13.95
CCCC(NC(=O)C1(N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)CC1)C1=NNN=N1	REAL000000007509	1	55	0.0	-11.25	424.94	2.28	-8.97
CCCC(NC(=O)C1=C2C=CNC2=NC(C)=N1)C1=NNN=N1	REAL000000007510	1	38	0.0	-11.19	313.97	2.42	-8.77
CCCC(NC(=O)CCC1=CC=CC=C1N=[N+]=[N-])C1=NNN=N1	REAL000000007511	1	41	0.0	-8.24	342.96	2.58	-5.66
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=NNN=N1	REAL000000007512	1	57	0.0	-13.16	436.57	4.92	-8.25
CCCC(NC(=O)CC1=C(CC)C=CC=C1CC)C1=NNN=N1	REAL000000007513	1	48	0.0	-10.67	370.79	6.58	-4.09
CCCC(NC(=O)CC1=CC=CC(OCC2CC2)=C1)C1=NNN=N1	REAL000000007514	1	47	0.0	-10.09	378.20	5.83	-4.26
CCCC(NC(=O)C1CC2(CC(OCC3=CC=CC=C3)C2)C1)C1=NNN=N1	REAL000000007515	1	54	0.0	-12.48	433.13	7.49	-4.99
CCCC(NC(=O)C1CC1C1=CN(C(C)C)N=C1)C1=NNN=N1	REAL000000007516	1	46	0.0	-12.53	374.93	4.89	-7.64
CCCC(NC(=O)C1=CC=C(OCC(F)F)C=C1)C1=NNN=N1	REAL000000007517	1	40	0.0	-16.55	342.00	4.22	-12.33
CCCC(NC(=O)C1=NN(CC)C(Br)=C1Cl)C1=NNN=N1	REAL000000007518	1	36	0.0	-10.45	340.41	3.27	-7.18
CCCC(NC(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=NNN=N1	REAL000000007519	1	37	0.0	-16.81	318.63	0.52	-16.29
CCCC(NC(=O)C1=NN(C)N=C1Br)C1=NNN=N1	REAL000000007520	1	32	0.0	-8.90	290.44	-0.04	-8.95
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)C1=NNN=N1	REAL000000007521	1	43	0.0	-12.58	372.93	6.02	-6.56
CCCC(NC(=O)C1=COC2=C1CN(C(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007522	1	51	0.0	-18.15	412.53	4.09	-14.07
CCCC(NC(=O)C1C2CCCC(NC(=O)OC(C)(C)C)C21)C1=NNN=N1	REAL000000007523	1	57	0.0	-11.80	424.36	4.48	-7.32
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000007524	1	41	0.0	-10.75	341.57	6.13	-4.62
CCCC(NC(=O)C1CCOC2(CCCCC2)C1)C1=NNN=N1	REAL000000007525	1	50	0.0	-7.56	361.80	4.36	-3.20
CCCC(NC(=O)CC(C1=CC=C(F)C(F)=C1)C1CC1)C1=NNN=N1	REAL000000007526	1	46	0.0	-13.74	380.80	7.13	-6.61
CCCC(NC(=O)C(C)C1=C2C=CC=CC2=CC=C1)C1=NNN=N1	REAL000000007527	1	45	0.0	-12.41	360.17	6.96	-5.45
CCCC(NC(=O)C1=CC(F)=C(F)C(OC)=C1)C1=NNN=N1	REAL000000007528	1	37	0.0	-10.99	319.70	3.11	-7.88
CCCC(NC(=O)C1=C2N=CC=CC2=CC(OC)=C1)C1=NNN=N1	REAL000000007529	1	42	0.0	-13.31	339.02	3.45	-9.86
CCCC(NC(=O)C1=CC(C(F)(F)F)=NC=C1Cl)C1=NNN=N1	REAL000000007530	1	35	0.0	-9.87	325.34	3.43	-6.44
CCCC(NC(=O)C1=NN(CC)N=C1Br)C1=NNN=N1	REAL000000007531	1	35	0.0	-10.61	319.44	1.12	-9.49
CCCC(NC(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=NNN=N1	REAL000000007532	1	44	0.0	-14.20	364.60	4.95	-9.25
CCCC(NC(=O)C1CCC2(CC1)NC(=O)N(C)C2=O)C1=NNN=N1	REAL000000007533	1	48	0.0	-17.94	374.89	1.34	-16.61
CCCC(NC(=O)C1=CC=CC(C2=NNC=C2)=C1)C1=NNN=N1	REAL000000007534	1	40	0.0	-18.95	336.62	3.68	-15.27
CCCC(NC(=O)C1=C2C=C(Br)C=C(C)C2=NN1)C1=NNN=N1	REAL000000007535	1	39	0.0	-12.16	347.44	3.60	-8.56
CCCC(NC(=O)C1CCC2(CCOCC2)O1)C1=NNN=N1	REAL000000007536	1	45	0.0	-14.21	350.84	2.83	-11.38
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2C)=C1)C1=NNN=N1	REAL000000007537	1	42	0.0	-9.47	356.55	5.31	-4.17
CCCC(NC(=O)C1=CC=CC(C(C)(F)F)=N1)C1=NNN=N1	REAL000000007538	1	38	0.0	-9.54	329.08	3.70	-5.84
CCCC(NC(=O)[C@@H]1[C@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007539	1	55	0.0	-17.94	425.71	1.96	-15.98
CCCC(NC(=O)C(C)C1=CC=CC=C1Cl)C1=NNN=N1	REAL000000007540	1	39	0.0	-10.30	331.96	5.30	-5.00
CCCC(NC(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=NNN=N1	REAL000000007541	1	45	0.0	-13.26	374.90	6.29	-6.97
CCCC(NC(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=NNN=N1	REAL000000007542	1	36	0.0	-13.39	329.56	4.57	-8.82
CCCC(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NNN=N1	REAL000000007543	1	45	0.0	-15.55	358.60	-0.66	-16.21
CCCC(NC(=O)C1=C(I)C=CS1)C1=NNN=N1	REAL000000007544	1	30	0.0	-9.82	293.25	3.72	-6.10
CCCC(NC(=O)C1=NN(CCC)C=C1Cl)C1=NNN=N1	REAL000000007545	1	39	0.0	-10.25	334.09	3.26	-6.99
CCCC(NC(=O)C1=CC(C)=C(C)N=C1Cl)C1=NNN=N1	REAL000000007546	1	38	0.0	-14.34	324.01	3.48	-10.86
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C1=NNN=N1	REAL000000007547	1	42	0.0	-16.94	362.58	5.11	-11.82
CCCC(NC(=O)C1=CC=C2NN=C(C(=O)OC)C2=C1)C1=NNN=N1	REAL000000007548	1	42	0.0	-15.80	352.23	2.68	-13.12
CCCC(NC(=O)C1=C2NCCC(C(C)(C)C)N2N=C1)C1=NNN=N1	REAL000000007549	1	51	0.0	-12.52	387.25	4.01	-8.52
CCCC(NC(=O)C1=C(NC)C2=NC=CN=C2S1)C1=NNN=N1	REAL000000007550	1	39	0.0	-11.22	332.10	0.10	-11.12
CCCC(NC(=O)C1=C(N)C2=C(C)C(C)=NN=C2S1)C1=NNN=N1	REAL000000007551	1	42	0.0	-11.96	342.01	1.28	-10.68
CCCC(NC(=O)C1=CC(C(N)=O)=CC=C1F)C1=NNN=N1	REAL000000007552	1	37	0.0	-17.36	316.75	0.53	-16.83
CCCC(NC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007553	1	49	0.0	-10.23	392.09	0.14	-10.09
CCCC(NC(=O)C12CCC(N=[N+]=[N-])(CC1)C2)C1=NNN=N1	REAL000000007554	1	42	0.0	-7.85	332.57	0.44	-7.41
CCCC(NC(=O)C1(N=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007555	1	52	0.0	-9.71	410.95	1.10	-8.61
CCCC(NC(=O)C1=NOC(C2=CC=C3OCOC3=C2)=C1)C1=NNN=N1	REAL000000007556	1	42	0.0	-11.82	362.41	3.34	-8.47
CCCC(NC(=O)C(F)(F)C1=CSC(C)=C1)C1=NNN=N1	REAL000000007557	1	36	0.0	-8.61	324.78	4.22	-4.39
CCCC(NC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007558	1	52	0.0	-18.06	421.51	0.62	-17.44
CCCC(NC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007559	1	52	0.0	-19.02	421.14	0.62	-18.40
CCCC(NC(=O)C1=CC(C)=NN1CC(F)(F)F)C1=NNN=N1	REAL000000007560	1	39	0.0	-11.94	339.98	3.28	-8.66
CCCC(NC(=O)C1=CC=CC(CN=[N+]=[N-])=C1)C1=NNN=N1	REAL000000007561	1	38	0.0	-11.68	329.27	0.94	-10.75
CCCC(NC(=O)CCCCCCCCCN=[N+]=[N-])C1=NNN=N1	REAL000000007562	1	52	0.0	-11.63	423.01	3.47	-8.16
CCCC(NC(=O)C1=CC(Cl)=NC(Cl)=C1C)C1=NNN=N1	REAL000000007563	1	35	0.0	-9.09	320.03	3.34	-5.75
CCCC(NC(=O)C1=CC=C(C)C=C1N=[N+]=[N-])C1=NNN=N1	REAL000000007564	1	38	0.0	-12.92	325.28	2.31	-10.62
CCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL000000007566	0	54	0.0	-58.65	414.26	8.02	-50.64
CCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL000000007566	1	54	0.0	-58.64	414.20	8.02	-50.63
CCCC(NC(=O)C1CCN(C(=O)NCC)CC1)C1=NNN=N1	REAL000000007568	1	48	0.0	-18.87	374.44	2.50	-16.37
CCCC(NC(=O)C[C@H](C)C1=CC=C(C)C(OC)=C1)C1=NNN=N1	REAL000000007569	1	49	0.0	-8.50	379.57	5.29	-3.20
CCCC(NC(=O)C=CC1=CC=C2CCOCC2=C1)C1=NNN=N1	REAL000000007570	1	45	0.0	-12.26	365.99	4.94	-7.31
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NN1CC(C)C)C1=NNN=N1	REAL000000007571	1	49	0.0	-9.73	382.27	4.92	-4.81
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(CC(C)C)N=C1)C1=NNN=N1	REAL000000007572	1	49	0.0	-12.14	397.59	5.92	-6.22
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)C1=NNN=N1	REAL000000007573	1	47	0.0	-11.53	383.57	6.59	-4.94
CCCC(NC(=O)C1CC2CCCCCCC21)C1=NNN=N1	REAL000000007574	1	49	0.0	-9.31	353.79	5.86	-3.45
CCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NNN=N1	REAL000000007575	1	56	0.0	-12.83	423.65	4.79	-8.03
CCCC(NC(=O)C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1)C1=NNN=N1	REAL000000007576	1	42	0.0	-8.64	369.70	2.35	-6.30
CCCC(NC(=O)C1=NN2CC3(CC3)CC2=C1)C1=NNN=N1	REAL000000007577	1	41	0.0	-12.39	339.10	3.62	-8.77
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)C1=NNN=N1	REAL000000007578	1	57	0.0	-9.88	425.42	4.08	-5.81
CCCC(NC(=O)C1CCC2(CC2C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007579	1	55	0.0	-14.92	426.89	7.32	-7.60
CCCC(NC(=O)CCC(=O)C1=CC=C(Br)S1)C1=NNN=N1	REAL000000007580	1	38	0.0	-9.89	356.49	4.79	-5.10
CCCC(NC(=O)CC1=CC=C2OC=NC2=C1)C1=NNN=N1	REAL000000007581	1	38	0.0	-17.10	324.09	1.24	-15.86
CCCC(NC(=O)C1=CN2N=CC(C#N)=C2N=C1C)C1=NNN=N1	REAL000000007582	1	39	0.0	-16.11	337.91	3.69	-12.42
CCCC(NC(=O)C1=CC=NC(CC(C)C)=N1)C1=NNN=N1	REAL000000007583	1	43	0.0	-7.38	345.37	3.37	-4.01
CCCC(NC(=O)COC1=NN(C)C=C1Br)C1=NNN=N1	REAL000000007584	1	37	0.0	-16.69	338.72	1.28	-15.41
CCCC(NC(=O)C1=NN2C=CC=NC2=C1Cl)C1=NNN=N1	REAL000000007585	1	35	0.0	-15.72	311.29	2.63	-13.09
CCCC(NC(=O)C(CCC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007586	1	56	0.0	-12.89	441.21	2.14	-10.75
CCCC(NC(=O)[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007587	1	53	0.0	-12.77	409.98	2.72	-10.05
CCCC(NC(=O)C(CC1OCCO1)NC(=O)OC(C)(C)C)C1=NNN=N1	REAL000000007588	1	55	0.0	-12.32	425.79	1.11	-11.20
CCCC(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(C)C)C1=NNN=N1	REAL000000007589	1	59	0.0	-13.38	445.57	5.37	-8.01
CCCC(NC(=O)[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007590	1	53	0.0	-12.95	421.95	3.15	-9.81
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C2(CCC2)CO1)C1=NNN=N1	REAL000000007591	1	58	0.0	-12.70	438.11	4.77	-7.94
CCCC(NC(=O)[C@@]12C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=NNN=N1	REAL000000007592	1	51	0.0	-13.74	406.54	3.12	-10.62
CCCC(NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)OC)C1=NNN=N1	REAL000000007593	1	45	0.0	-14.12	355.54	5.07	-9.05
CCCC(NC(=O)C1=C2C=CC=CN2C(Br)=N1)C1=NNN=N1	REAL000000007594	1	36	0.0	-13.34	327.53	4.71	-8.63
CCCC(NC(=O)C1=CC(C2CN(C(=O)OC(C)(C)C)C2)=NO1)C1=NNN=N1	REAL000000007595	1	53	0.0	-13.69	431.25	3.84	-9.84
CCCC(NC(=O)CC1=CC=C(Br)C(Cl)=C1F)C1=NNN=N1	REAL000000007596	1	36	0.0	-13.08	343.36	5.43	-7.65
CCCC(NC(=O)C1=CC=CC2=C1NC(=O)CC2)C1=NNN=N1	REAL000000007598	1	41	0.0	-14.09	325.43	2.93	-11.16
CCCC(NC(=O)C1=NN(CC(F)(F)F)C=C1Cl)C1=NNN=N1	REAL000000007599	1	36	0.0	-13.69	330.56	2.99	-10.70
CCCC(NC(=O)C(F)(F)C1=CC(F)=CC=C1C)C1=NNN=N1	REAL000000007600	1	39	0.0	-8.47	332.29	4.88	-3.59
CCCC(NC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-])C1=NNN=N1	REAL000000007602	1	38	0.0	-16.33	334.24	3.75	-12.58
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1CC)C1=NNN=N1	REAL000000007605	1	42	0.0	-9.56	343.39	5.39	-4.17
CCCC(NC(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=NNN=N1	REAL000000007606	1	44	0.0	-19.59	361.90	4.72	-14.88
CCCC(NC(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=NNN=N1	REAL000000007607	1	44	0.0	-17.86	351.72	3.23	-14.63
CCCC(NC(=O)C1CC(=O)N(C(C)C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000007608	1	50	0.0	-15.21	404.31	6.18	-9.03
CCCC(NC(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=NNN=N1	REAL000000007609	1	35	0.0	-11.28	328.48	3.60	-7.68
CCCC(NC(=O)CC1=CNC2=C(OC)C=CC=C12)C1=NNN=N1	REAL000000007610	1	44	0.0	-12.64	356.60	3.36	-9.28
CCCC(NC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=NNN=N1	REAL000000007611	1	37	0.0	-10.94	334.43	4.15	-6.79
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C=C1C)C1=NNN=N1	REAL000000007612	1	45	0.0	-15.46	373.87	5.46	-10.00
CCCC(NC(=O)C1=CC2=C(COCC2)N=C1Cl)C1=NNN=N1	REAL000000007613	1	40	0.0	-14.40	339.36	2.38	-12.02
CCCC(NC(=O)C1=CN(C)C(C)=C(Br)C1=O)C1=NNN=N1	REAL000000007614	1	39	0.0	-18.64	336.86	4.12	-14.52
CCCC(NC(=O)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)C1=NNN=N1	REAL000000007615	1	43	0.0	-19.02	375.49	6.34	-12.68
CCCC(NC(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=NNN=N1	REAL000000007616	1	42	0.0	-24.92	355.80	0.26	-24.67
CCCC(NC(=O)C1=CC2=C(Br)C=CC(F)=C2N1)C1=NNN=N1	REAL000000007617	1	37	0.0	-10.50	338.90	4.25	-6.25
CCCC(NC(=O)C1=C(C)C2=CC(C3=CC=CC=C3)=CC=C2N1)C1=NNN=N1	REAL000000007618	1	50	0.0	-12.30	403.22	7.71	-4.60
CCCC(NC(=O)C1=C(C)C2=C(CCCC2)N1)C1=NNN=N1	REAL000000007619	1	44	0.0	-8.29	338.88	4.22	-4.07
CCCC(NC(=O)C1=CC(CC2CCC2)=CN1)C1=NNN=N1	REAL000000007620	1	44	0.0	-12.36	356.38	4.98	-7.38
CCCC(NC(=O)CC1=CC(C(=O)OC)=CS1)C1=NNN=N1	REAL000000007621	1	39	0.0	-16.12	348.79	4.11	-12.02
CCCC(NC(=O)CC1=CC=C(C(=O)OC)C(F)=C1)C1=NNN=N1	REAL000000007622	1	42	0.0	-15.74	354.53	4.68	-11.06
CCCC(NC(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=NNN=N1	REAL000000007623	1	42	0.0	-16.20	343.66	2.44	-13.76
CCCC(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000007624	1	50	0.0	-18.70	401.24	6.26	-12.44
CCCC(NC(=O)C1CCC2(CNC(=O)C2)CC1)C1=NNN=N1	REAL000000007625	1	47	0.0	-16.14	359.58	1.74	-14.40
CCCC(NC(=O)C1=C2CCCCC2=C(C(=O)OC)S1)C1=NNN=N1	REAL000000007626	1	46	0.0	-10.15	381.62	5.83	-4.31
CCCC(NC(=O)C1CC(C2CCOCC2)=NO1)C1=NNN=N1	REAL000000007627	1	45	0.0	-19.86	361.39	2.92	-16.95
CCCC(NC(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=NNN=N1	REAL000000007628	1	44	0.0	-16.33	361.14	5.41	-10.92
CCCC(NC(=O)C1=C(N)C2=CC=C(CC(C)C)N=C2S1)C1=NNN=N1	REAL000000007629	1	49	0.0	-11.52	399.80	4.65	-6.88
CCCC(NC(=O)C1CC(=O)N([C@H](C)C2=CC=C(F)C=C2)C1)C1=NNN=N1	REAL000000007630	1	50	0.0	-13.41	396.97	5.89	-7.52
CCCC(NC(=O)C1=CC(Br)=CC2=C1NC(=O)CO2)C1=NNN=N1	REAL000000007631	1	39	0.0	-13.01	344.87	1.90	-11.10
CCCC(NC(=O)C1=CN(C2CC2)C(C)=C(Br)C1=O)C1=NNN=N1	REAL000000007632	1	43	0.0	-16.68	364.20	5.48	-11.20
CCCC(NC(=O)C1=C2CCCCC2=NNC1=O)C1=NNN=N1	REAL000000007633	1	42	0.0	-9.65	325.08	1.58	-8.07
CCCC(NC(=O)C1=CC=C(N2CCCNS2(=O)=O)C=C1)C1=NNN=N1	REAL000000007634	1	47	0.0	-17.89	383.61	0.66	-17.23
CCCC(NC(=O)C1=CN=C(C2CCOCC2)S1)C1=NNN=N1	REAL000000007635	1	43	0.0	-11.78	360.91	2.40	-9.38
CCCC(NC(=O)C12CC(C(F)(F)F)(C1)CO2)C1=NNN=N1	REAL000000007636	1	38	0.0	-6.40	320.20	1.90	-4.50
CCCC(NC(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=NNN=N1	REAL000000007637	1	43	0.0	-13.35	366.91	3.41	-9.94
CCCC(NC(=O)C1=CN=C2COCCC2=C1)C1=NNN=N1	REAL000000007638	1	40	0.0	-11.36	326.69	1.93	-9.43
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1CC)C1=NNN=N1	REAL000000007639	1	41	0.0	-8.51	330.25	5.28	-3.23
CCCC(NC(=O)C1=NN(CC(F)(F)F)C(C)=C1)C1=NNN=N1	REAL000000007640	1	39	0.0	-14.05	341.29	3.12	-10.93
CCCC(NC(=O)C1=CC(Br)=CC(OCCOC)=C1)C1=NNN=N1	REAL000000007641	1	44	0.0	-9.36	376.78	3.46	-5.90
CCCC(NC(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=NNN=N1	REAL000000007642	1	40	0.0	-14.89	343.57	5.66	-9.23
CCCC(NC(=O)C1=NOC(C2=CC=CC=C2)=C1C)C1=NNN=N1	REAL000000007643	1	42	0.0	-9.31	354.96	5.35	-3.96
CCCC(NC(=O)C=CC1=C(Br)C=CS1)C1=NNN=N1	REAL000000007644	1	34	0.0	-11.15	322.40	4.51	-6.64
CCCC(NC(=O)C=CC1=C(Br)SC=C1)C1=NNN=N1	REAL000000007645	1	34	0.0	-12.06	322.33	4.47	-7.60
CCCC(NC(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=NNN=N1	REAL000000007646	1	38	0.0	-10.56	330.52	2.33	-8.23
CCCC(NC(=O)C1=C2C=CN=CC2=CC(F)=C1)C1=NNN=N1	REAL000000007647	1	38	0.0	-11.54	319.96	4.18	-7.36
CCCC(NC(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=NNN=N1	REAL000000007648	1	42	0.0	-16.51	347.31	3.43	-13.08
CCCC(NC(=O)C#CC1=CC=C(F)C(F)=C1)C1=NNN=N1	REAL000000007649	1	35	0.0	-11.74	322.21	5.13	-6.61
CCCC(NC(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007650	1	51	0.0	-14.08	398.20	4.50	-9.58
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2F)=C1)C1=NNN=N1	REAL000000007651	1	43	0.0	-14.92	380.88	4.50	-10.41
CCCC(NC(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=NNN=N1	REAL000000007652	1	42	0.0	-11.79	354.28	3.99	-7.80
CCCC(NC(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=NNN=N1	REAL000000007654	1	40	0.0	-11.62	338.13	5.79	-5.83
CCCC(NC(=O)CCC1=CC=C2OC=NC2=C1)C1=NNN=N1	REAL000000007655	1	41	0.0	-14.95	345.48	2.05	-12.91
CCCC(NC(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=NNN=N1	REAL000000007656	1	40	0.0	-13.66	348.97	4.54	-9.12
CCCC(NC(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=NNN=N1	REAL000000007657	1	42	0.0	-8.95	348.97	4.64	-4.32
CCCC(NC(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=NNN=N1	REAL000000007658	1	40	0.0	-12.22	340.46	1.84	-10.38
CCCC(NC(=O)C1=CC=CC(C(N)=O)=C1C)C1=NNN=N1	REAL000000007659	1	40	0.0	-18.90	322.42	1.14	-17.76
CCCC(NC(=O)CC1=CC(Cl)=CC(Br)=C1)C1=NNN=N1	REAL000000007660	1	36	0.0	-11.45	340.39	5.46	-5.99
CCCC(NC(=O)CC1=CC(C(F)(F)F)=NN1C)C1=NNN=N1	REAL000000007661	1	39	0.0	-17.76	343.98	2.84	-14.91
CCCC(NC(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=NNN=N1	REAL000000007662	1	40	0.0	-10.60	341.06	3.28	-7.32
CCCC(NC(=O)C1CCN2C=C(CC)N=C2C1)C1=NNN=N1	REAL000000007663	1	46	0.0	-12.80	365.89	5.17	-7.63
CCCC(NC(=O)CC1CCCC2CCCCC12)C1=NNN=N1	REAL000000007664	1	52	0.0	-5.91	365.94	6.22	0.31
CCCC(NC(=O)C1=CSC2=CC=CC(OC)=C12)C1=NNN=N1	REAL000000007665	1	40	0.0	-13.50	337.76	5.70	-7.80
CCCC(NC(=O)C1=C2C=CC=CC2=NS1)C1=NNN=N1	REAL000000007666	1	35	0.0	-12.49	308.58	3.58	-8.91
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NNN=N1	REAL000000007667	1	38	0.0	-20.03	313.34	1.97	-18.06
CCCC(NC(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=NNN=N1	REAL000000007669	1	39	0.0	-12.32	330.02	3.27	-9.06
CCCC(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=C1)C1=NNN=N1	REAL000000007670	1	53	0.0	-17.27	430.80	2.03	-15.24
CCCC(NC(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=NNN=N1	REAL000000007671	1	53	0.0	-12.89	410.54	4.42	-8.48
CCCC(NC(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL000000007672	0	61	0.0	-73.84	462.84	4.08	-69.76
CCCC(NC(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL000000007672	1	61	0.0	-73.83	462.79	4.08	-69.75
CCCC(NC(=O)C1=CC2=C(CCCC2=O)N1)C1=NNN=N1	REAL000000007673	1	40	0.0	-20.68	331.08	2.99	-17.68
CCCC(NC(=O)C1=C(N)C2=CC=C(C(C)(C)C)N=C2S1)C1=NNN=N1	REAL000000007674	1	49	0.0	-11.74	399.87	3.97	-7.77
CCCC(NC(=O)C1=COC(CN2C=CC=N2)=C1)C1=NNN=N1	REAL000000007675	1	40	0.0	-18.33	345.40	3.45	-14.88
CCCC(NC(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=NNN=N1	REAL000000007676	1	38	0.0	-21.67	330.25	4.17	-17.51
CCCC(NC(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=NNN=N1	REAL000000007677	1	41	0.0	-15.85	342.51	5.05	-10.80
CCCC(NC(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=NNN=N1	REAL000000007678	1	55	0.0	-6.17	384.55	3.17	-3.00
CCCC(NC(=O)C(=O)C1=CC=C(Br)C=C1OC)C1=NNN=N1	REAL000000007679	1	39	0.0	-8.81	346.88	4.68	-4.13
CCCC(NC(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=NNN=N1	REAL000000007680	1	42	0.0	-12.76	348.81	3.65	-9.11
CCCC(NC(=O)C1=C2NC=CC2=CC(F)=C1)C1=NNN=N1	REAL000000007681	1	37	0.0	-10.37	313.24	3.92	-6.44
CCCC(NC(=O)CC1=C(CC)NN=C1CC)C1=NNN=N1	REAL000000007682	1	45	0.0	-11.06	348.06	2.72	-8.34
CCCC(NC(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=NNN=N1	REAL000000007683	1	43	0.0	-20.64	357.11	2.36	-18.28
CCCC(NC(=O)[C@@H](O)CC1=CC=C2C=CC=CC2=C1)C1=NNN=N1	REAL000000007684	1	46	0.0	-12.89	379.56	5.27	-7.62
CCCC(NC(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=NNN=N1	REAL000000007685	1	40	0.0	-23.09	345.88	0.74	-22.35
CCCC(NC(=O)CCC(=O)C1=CC(Br)=CS1)C1=NNN=N1	REAL000000007686	1	38	0.0	-8.95	349.13	4.36	-4.59
CCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL000000007687	0	50	0.0	-52.08	369.46	5.99	-46.09
CCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL000000007687	1	50	0.0	-52.14	369.47	5.99	-46.15
CCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL000000007687	1	50	0.0	-52.07	369.40	5.98	-46.09
CCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL000000007687	1	50	0.0	-52.12	369.41	5.98	-46.15
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC2(CCCC2)C2=CC=CC=C21	REAL000000007693	0	47	0.0	-18.27	361.75	10.12	-8.15
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC2(CCCC2)C2=CC=CC=C21	REAL000000007694	0	44	0.0	-10.42	349.11	7.96	-2.46
CCN(C(=O)CCCC1=NNN=N1)C(COC)CC1=CC=CC=C1	REAL000000007695	1	49	0.0	-12.28	380.76	8.54	-3.74
CCN(C(=O)CCC1=NNN=N1)C(COC)CC1=CC=CC=C1	REAL000000007696	1	46	0.0	-9.28	357.12	6.75	-2.52
CCN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(COC)CC1=CC=CC=C1	REAL000000007697	0	52	0.0	-16.77	394.19	8.95	-7.81
CCN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C(COC)CC1=CC=CC=C1	REAL000000007698	0	49	0.0	-9.45	385.79	8.34	-1.11
C[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(F)C=C1F	REAL000000007699	0	39	0.0	-17.74	336.00	7.34	-10.40
C[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(F)C=C1F	REAL000000007700	0	36	0.0	-9.81	321.42	4.28	-5.53
CN1CCOC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C21	REAL000000007701	1	40	0.0	-17.23	321.59	1.97	-15.26
CN1CCOC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C21	REAL000000007702	0	43	0.0	-19.13	347.53	4.84	-14.29
CN1CCOC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C21	REAL000000007703	0	40	0.0	-11.26	332.12	1.76	-9.50
O=C(CCCC1=NNN=N1)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1	REAL000000007704	1	43	0.0	-20.96	366.97	5.02	-15.94
O=C(CCC1=NNN=N1)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1	REAL000000007705	1	40	0.0	-13.74	345.47	4.24	-9.50
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007706	0	43	0.0	-14.38	377.56	4.80	-9.58
O=C(CCC1=NNN=N1)NC1=CC=C(Cl)C(C(=O)NCC2=CC=CS2)=C1	REAL000000007707	1	41	0.0	-15.46	375.84	4.34	-11.12
O=C(CCCC1=NNN=N1)NC1CCC2(CCOCC2)CC1	REAL000000007708	1	47	0.0	-14.40	344.97	3.35	-11.06
O=C(NC1CCC2(CCOCC2)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007709	0	50	0.0	-16.55	370.51	6.16	-10.39
O=C(NC1CCC2(CCOCC2)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007710	0	47	0.0	-9.44	355.57	3.13	-6.31
O=C(CCCC1=NNN=N1)NCC1CCCC(C(F)(F)F)C1	REAL000000007711	1	42	0.0	-14.77	334.97	4.55	-10.22
O=C(CCC1=NNN=N1)NCC1CCCC(C(F)(F)F)C1	REAL000000007712	1	39	0.0	-11.13	320.49	4.03	-7.10
O=C(NCC1CCCC(C(F)(F)F)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007713	0	45	0.0	-17.08	367.14	7.67	-9.41
O=C(NCC1CCCC(C(F)(F)F)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007714	0	42	0.0	-9.78	352.58	4.61	-5.17
CC(CCNC(=O)CCCC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL000000007715	0	50	0.0	-69.48	385.13	6.48	-63.00
CC(CCNC(=O)CCCC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007715	1	50	0.0	-72.88	388.72	6.50	-66.38
CC(CCNC(=O)CCCC1=N[N-]N=N1)[N@H+](C)CC1=CC=CC=C1	REAL000000007715	1	50	0.0	-69.46	385.07	6.48	-62.98
CC(CCNC(=O)CCCC1=N[N-]N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007715	1	50	0.0	-72.87	388.67	6.49	-66.38
CC(CCNC(=O)CCC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL000000007716	0	47	0.0	-62.05	363.63	5.70	-56.35
CC(CCNC(=O)CCC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007716	1	47	0.0	-64.25	367.22	5.72	-58.53
CC(CCNC(=O)CCC1=N[N-]N=N1)[N@H+](C)CC1=CC=CC=C1	REAL000000007716	1	47	0.0	-62.04	363.57	5.70	-56.34
CC(CCNC(=O)CCC1=N[N-]N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL000000007716	1	47	0.0	-64.24	367.17	5.71	-58.53
CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCCC1O	REAL000000007719	0	46	0.0	-16.95	349.14	3.98	-12.98
CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCCC1O	REAL000000007720	0	43	0.0	-9.80	334.19	0.94	-8.86
O=C(CCCC1=NNN=N1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL000000007721	1	41	0.0	-19.84	340.94	5.04	-14.80
O=C(CCC1=NNN=N1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL000000007722	1	38	0.0	-11.85	318.84	4.26	-7.59
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007723	0	44	0.0	-21.11	366.12	7.87	-13.24
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007724	0	41	0.0	-13.22	350.93	4.83	-8.39
CC1=CC=C2OC(C)CN(C(=O)CCCC3=NNN=N3)C2=C1	REAL000000007725	1	41	0.0	-16.76	327.08	5.59	-11.17
CC1=CC=C2OC(C)CN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)C2=C1	REAL000000007726	0	44	0.0	-17.47	351.77	8.12	-9.35
CC1=CC=C2OC(C)CN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)C2=C1	REAL000000007727	0	41	0.0	-11.19	335.17	5.97	-5.23
C[C@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(F)C=C1F	REAL000000007728	0	39	0.0	-17.92	335.89	7.37	-10.55
C[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(F)C=C1F	REAL000000007729	0	36	0.0	-9.89	321.46	4.28	-5.61
CC(N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1(C)CC1	REAL000000007730	0	42	0.0	-16.07	322.82	7.34	-8.73
O=C(CCCC1=NNN=N1)NC(C1CCCC1)C(F)(F)F	REAL000000007731	1	39	0.0	-13.87	319.55	4.18	-9.68
O=C(NC(C1CCCC1)C(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007732	0	42	0.0	-15.34	344.01	7.33	-8.02
O=C(NC(C1CCCC1)C(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007733	0	39	0.0	-8.30	326.58	4.29	-4.02
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000007734	1	47	0.0	-16.05	392.11	8.65	-7.40
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000007735	1	44	0.0	-11.49	370.61	7.90	-3.59
NC(=O)CC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000007736	0	43	0.0	-27.86	337.99	3.39	-24.46
NC(=O)CC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000007737	0	40	0.0	-18.58	322.53	1.25	-17.32
NC(=O)CC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000007738	0	43	0.0	-27.86	337.99	3.39	-24.46
NC(=O)CC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000007739	0	40	0.0	-18.58	322.53	1.25	-17.32
CC(C)CNC(=O)C1(NC(=O)CCCC2=NNN=N2)CCCC1	REAL000000007740	1	49	0.0	-22.14	379.36	3.18	-18.96
CC(C)CNC(=O)C1(NC(=O)CCC2=NNN=N2)CCCC1	REAL000000007741	1	46	0.0	-16.91	358.24	2.34	-14.57
CC(C)CNC(=O)C1(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000007742	0	49	0.0	-14.16	390.13	3.00	-11.16
O=C(CCCC1=NNN=N1)NCC1=CSC(CNC(=O)C2=CC=CC=C2)=N1	REAL000000007743	1	46	0.0	-20.55	405.56	2.65	-17.90
O=C(CCC1=NNN=N1)NCC1=CSC(CNC(=O)C2=CC=CC=C2)=N1	REAL000000007744	1	43	0.0	-16.33	384.06	1.87	-14.46
O=C(NC1=CC=C2CCCC(=O)C2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007745	0	42	0.0	-26.04	347.07	7.85	-18.18
O=C(NC1=CC=C2CCCC(=O)C2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007746	0	39	0.0	-17.64	332.23	4.75	-12.89
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL000000007747	0	44	0.0	-69.67	362.25	6.83	-62.84
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL000000007747	1	44	0.0	-69.66	362.19	6.83	-62.84
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCC1=NN=N[N-]1	REAL000000007748	0	41	0.0	-66.41	340.75	6.04	-60.37
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCC1=N[N-]N=N1	REAL000000007748	1	41	0.0	-66.41	340.69	6.04	-60.37
CCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000007751	0	42	0.0	-14.67	329.83	6.53	-8.15
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1	REAL000000007752	1	40	0.0	-14.24	352.51	7.63	-6.61
O=C(CCC1=NNN=N1)NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1	REAL000000007753	1	37	0.0	-10.69	329.92	6.78	-3.91
O=C(NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007754	0	40	0.0	-9.96	363.06	7.42	-2.54
CS(=O)(=O)CC1(CNC(=O)CCCC2=NNN=N2)CC1	REAL000000007755	1	39	0.0	-26.30	331.71	0.38	-25.92
CS(=O)(=O)CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000007756	0	42	0.0	-29.63	359.66	2.96	-26.67
CS(=O)(=O)CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000007757	0	39	0.0	-20.11	344.81	-0.03	-20.14
CNC(=O)CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000007758	0	46	0.0	-18.41	361.40	5.05	-13.36
CNC(=O)CC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000007759	0	43	0.0	-13.57	344.33	2.76	-10.82
CC(C)(C)OC(=O)N1CCN(C(=O)CCCC2=NNN=N2)C(C#N)C1	REAL000000007760	1	48	0.0	-24.17	378.23	4.50	-19.68
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NNN=N2)C(C#N)C1	REAL000000007761	1	45	0.0	-18.47	356.73	3.71	-14.76
CC(C)(C)OC(=O)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C#N)C1	REAL000000007762	0	51	0.0	-24.36	400.28	6.85	-17.52
CC(C)(C)OC(=O)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C#N)C1	REAL000000007763	0	48	0.0	-15.04	389.98	5.09	-9.95
CCN(CC1CCN(C(=O)CCCC2=NNN=N2)C1)CC(F)(F)F	REAL000000007764	1	47	0.0	-14.04	377.25	4.60	-9.44
CCN(CC1CCN(C(=O)CCC2=NNN=N2)C1)CC(F)(F)F	REAL000000007765	1	44	0.0	-10.22	355.74	3.82	-6.40
CCN(CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1)CC(F)(F)F	REAL000000007766	0	50	0.0	-20.36	386.89	6.21	-14.15
CCN(CC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1)CC(F)(F)F	REAL000000007767	0	47	0.0	-12.75	378.45	4.30	-8.45
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC=C(Cl)C=C21	REAL000000007768	0	37	0.0	-21.42	316.62	8.42	-13.00
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=C(Cl)C=C21	REAL000000007769	0	34	0.0	-12.00	304.58	6.28	-5.72
COC1=CC=C(C2=CSC(CNC(=O)CCCC3=NNN=N3)=C2)C=C1	REAL000000007770	1	44	0.0	-14.96	378.02	5.39	-9.58
COC1=CC=C(C2=CSC(CNC(=O)CCC3=NNN=N3)=C2)C=C1	REAL000000007771	1	41	0.0	-11.31	356.52	4.61	-6.71
COC1=CC=C(C2=CSC(CNC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)C=C1	REAL000000007772	0	44	0.0	-10.57	388.61	5.17	-5.40
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCSC2(CCCCC2)C1	REAL000000007774	0	47	0.0	-13.77	352.74	9.04	-4.73
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCSC2(CCCCC2)C1	REAL000000007775	0	44	0.0	-8.11	339.77	6.55	-1.56
CC1=CC=CC=C1C(NC(=O)CCCC1=NNN=N1)C(C)(C)C	REAL000000007776	1	48	0.0	-12.30	354.77	6.40	-5.90
CC1=CC=CC=C1C(NC(=O)CCC1=NNN=N1)C(C)(C)C	REAL000000007777	1	45	0.0	-8.49	333.23	5.62	-2.87
CC1=CC=CC=C1C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(C)(C)C	REAL000000007778	0	51	0.0	-14.03	380.40	9.20	-4.83
CC1=CC=CC=C1C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(C)(C)C	REAL000000007779	0	48	0.0	-8.21	370.08	6.40	-1.81
CCCCCCOC(=O)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000007780	1	51	0.0	-18.36	418.97	8.12	-10.24
CCCCCCOC(=O)C1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000007781	1	48	0.0	-12.77	397.78	7.33	-5.44
CCCCCCOC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000007782	0	51	0.0	-10.68	429.55	7.92	-2.76
CN(CC1=CC2=CC=CC=C2O1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007783	0	42	0.0	-22.95	351.65	8.62	-14.33
CN(CC1=CC2=CC=CC=C2O1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007784	0	39	0.0	-15.15	335.89	6.51	-8.63
CC(NC(=O)CCCC1=NNN=N1)C1=C(F)C=CC=C1Cl	REAL000000007785	1	36	0.0	-13.66	317.22	4.88	-8.78
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=C(F)C=CC=C1Cl	REAL000000007786	0	39	0.0	-15.82	341.60	7.69	-8.13
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=C(F)C=CC=C1Cl	REAL000000007787	0	36	0.0	-10.00	327.60	4.64	-5.36
O=C(CCCC1=NNN=N1)NC1=CC=C(C(=O)OC2CCCC2)C=C1	REAL000000007788	1	46	0.0	-18.84	377.36	6.98	-11.86
O=C(CCC1=NNN=N1)NC1=CC=C(C(=O)OC2CCCC2)C=C1	REAL000000007789	1	43	0.0	-14.37	355.86	6.19	-8.17
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007790	0	49	0.0	-17.67	402.88	9.78	-7.89
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007791	0	46	0.0	-11.10	387.95	6.75	-4.35
CC1C(CC2=CC=CC=C2)CCN1C(=O)CCCC1=NNN=N1	REAL000000007792	1	46	0.0	-14.14	359.39	7.73	-6.40
CC1C(CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007793	0	49	0.0	-17.99	375.17	9.88	-8.11
CC1C(CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007794	0	46	0.0	-9.77	366.67	7.98	-1.79
COC1=NC(=NNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)NC(C)=C1	REAL000000007795	0	40	0.0	-24.29	345.53	4.97	-19.32
COC1=NC(=NNC(=O)C2=CC=C(C3=NNN=N3)C=N2)NC(C)=C1	REAL000000007796	0	37	0.0	-18.03	330.58	1.97	-16.06
CCCCOC1CC(NC(=O)CCCC2=NNN=N2)C1(C)C	REAL000000007797	1	49	0.0	-12.51	383.50	4.80	-7.71
CCCCOC1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1(C)C	REAL000000007798	0	52	0.0	-17.63	407.48	7.73	-9.91
CCCCOC1CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1(C)C	REAL000000007799	0	49	0.0	-8.24	393.93	4.76	-3.48
CN(CC(O)CN1CCOCC1)C(=O)CCCC1=NNN=N1	REAL000000007800	1	46	0.0	-14.71	358.57	-0.59	-15.30
CN(CC(O)CN1CCOCC1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007801	0	49	0.0	-19.24	383.46	1.14	-18.10
CN(CC(O)CN1CCOCC1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007802	0	46	0.0	-12.43	366.84	-0.74	-13.17
O=C(CCCC1=NNN=N1)NC1CCN(CCCC2=CC=CC=C2)C1=O	REAL000000007803	1	50	0.0	-26.55	410.81	6.14	-20.41
O=C(CCC1=NNN=N1)NC1CCN(CCCC2=CC=CC=C2)C1=O	REAL000000007804	1	47	0.0	-21.20	389.31	5.36	-15.84
O=C(NC1CCN(CCCC2=CC=CC=C2)C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007805	0	50	0.0	-20.40	421.38	5.92	-14.48
COC1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000007806	0	46	0.0	-16.75	360.53	5.87	-10.89
COC1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000007807	0	43	0.0	-9.47	345.58	2.84	-6.63
CCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NOC(C)=N1	REAL000000007808	0	40	0.0	-15.46	333.64	3.11	-12.35
CCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(C)=N1	REAL000000007809	0	37	0.0	-10.75	318.70	0.08	-10.67
O=C(NC1(C2=CC=C(F)C=C2)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007810	0	40	0.0	-16.36	338.69	7.98	-8.38
O=C(NC1(C2=CC=C(F)C=C2)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007811	0	37	0.0	-9.96	327.04	4.57	-5.39
CC(C)(C)N1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1=O	REAL000000007812	0	46	0.0	-20.61	364.84	5.57	-15.04
CC(C)(C)N1CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1=O	REAL000000007813	0	43	0.0	-13.22	350.60	2.51	-10.71
O=C(CCCC1=NNN=N1)NCCN1C(=O)NC2=CC=CC=C21	REAL000000007814	1	40	0.0	-22.49	340.99	2.65	-19.84
O=C(CCC1=NNN=N1)NCCN1C(=O)NC2=CC=CC=C21	REAL000000007815	1	37	0.0	-17.85	319.49	1.86	-15.98
O=C(NCCN1C(=O)NC2=CC=CC=C21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007816	0	43	0.0	-23.76	366.14	5.50	-18.26
O=C(NCCN1C(=O)NC2=CC=CC=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007817	0	40	0.0	-16.35	351.58	2.44	-13.91
CN(C(=O)CCCC1=NNN=N1)C(C1=CC=C(Cl)C=C1)C1=CN=CC=N1	REAL000000007818	1	44	0.0	-16.24	376.47	5.66	-10.58
CN(C(=O)CCC1=NNN=N1)C(C1=CC=C(Cl)C=C1)C1=CN=CC=N1	REAL000000007819	1	41	0.0	-11.08	352.49	5.95	-5.13
CCOC1=CC=C(C(=O)N2CCCCC2)C=C1NC(=O)CCCC1=NNN=N1	REAL000000007820	1	54	0.0	-24.07	420.27	5.67	-18.40
CCOC1=CC=C(C(=O)N2CCCCC2)C=C1NC(=O)CCC1=NNN=N1	REAL000000007821	1	51	0.0	-18.17	400.65	4.91	-13.26
CC(C)(C)OC(=O)NC1=CC2=C(C=C1NC(=O)CCCC1=NNN=N1)OCO2	REAL000000007822	1	50	0.0	-19.66	400.81	2.60	-17.07
CC(C)(C)OC(=O)NC1=CC2=C(C=C1NC(=O)CCC1=NNN=N1)OCO2	REAL000000007823	1	47	0.0	-15.48	379.31	1.81	-13.67
CC1=CN=C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000007824	0	38	0.0	-13.70	334.81	5.12	-8.58
CC1=CN=C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000007825	0	35	0.0	-8.89	319.88	2.09	-6.80
CC1=CC(C(NC(=O)CCCC2=NNN=N2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007826	1	49	0.0	-15.55	400.23	8.88	-6.67
CC1=CC(C(NC(=O)CCC2=NNN=N2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007827	1	46	0.0	-11.22	378.82	8.10	-3.11
CC1=CC(C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007828	0	52	0.0	-17.23	425.43	11.73	-5.50
CC1=CC(C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C2=CC(C)=CC=C2)=CC=C1	REAL000000007829	0	49	0.0	-10.19	410.89	8.67	-1.52
O=C(CCCC1=NNN=N1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007830	1	47	0.0	-14.96	366.18	6.27	-8.69
O=C(CCC1=NNN=N1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007831	1	44	0.0	-12.06	350.15	6.02	-6.04
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007832	0	50	0.0	-18.25	386.47	8.09	-10.16
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CCC1=CC=CC=C1)C1CCOC1	REAL000000007833	0	47	0.0	-9.41	368.92	6.94	-2.47
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)CCCC1=NNN=N1	REAL000000007834	1	44	0.0	-24.45	382.26	2.45	-22.00
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)CCC1=NNN=N1	REAL000000007835	1	41	0.0	-19.63	360.76	1.67	-17.96
CC1C2=CC=CC=C2CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007836	0	43	0.0	-12.48	340.03	8.86	-3.62
CC1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007837	0	40	0.0	-9.46	324.85	6.81	-2.65
O=C(CCCC1=NNN=N1)NC1=CC=C2N=C(C3CC3)OC2=C1	REAL000000007838	1	39	0.0	-18.20	331.26	2.79	-15.40
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007839	0	42	0.0	-18.61	357.08	5.58	-13.03
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007840	0	39	0.0	-14.14	342.17	2.56	-11.58
CS(=O)C1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000007841	1	38	0.0	-23.65	334.73	2.07	-21.57
CS(=O)C1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000007842	0	41	0.0	-25.25	359.89	4.92	-20.33
CS(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000007843	0	38	0.0	-19.47	345.33	1.86	-17.61
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCCC1=NNN=N1	REAL000000007844	1	55	0.0	-16.91	411.24	4.56	-12.35
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCC1=NNN=N1	REAL000000007845	1	52	0.0	-12.92	389.77	3.78	-9.15
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007846	0	55	0.0	-12.11	419.38	4.94	-7.17
O=C(NCC1(O)CCSC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007847	0	38	0.0	-17.35	320.22	2.91	-14.44
O=C(NCC1(O)CCSC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007848	0	35	0.0	-10.30	305.67	-0.16	-10.45
COCC1=NC2=CC(NC(=O)CCCC3=NNN=N3)=CC=C2O1	REAL000000007849	1	39	0.0	-23.94	334.12	0.08	-23.86
COCC1=NC2=CC(NC(=O)CCC3=NNN=N3)=CC=C2O1	REAL000000007850	1	36	0.0	-19.46	312.34	-0.69	-20.15
COCC1=NC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2O1	REAL000000007851	0	42	0.0	-25.79	359.01	2.94	-22.84
COCC1=NC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2O1	REAL000000007852	0	39	0.0	-12.98	344.71	-0.14	-13.12
CCC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC(C(F)(F)F)=C1	REAL000000007853	1	46	0.0	-15.42	383.60	5.31	-10.11
CCC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC(C(F)(F)F)=C1	REAL000000007854	1	43	0.0	-12.06	362.80	4.50	-7.56
COC1=CC=CC(C(NC(=O)CCCC2=NNN=N2)C2=CC(F)=CC=C2OC)=C1	REAL000000007855	1	51	0.0	-18.43	420.96	6.59	-11.84
COC1=CC=CC(C(NC(=O)CCC2=NNN=N2)C2=CC(F)=CC=C2OC)=C1	REAL000000007856	1	48	0.0	-14.16	399.49	5.81	-8.35
CN(CC1=NC=CS1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007857	0	35	0.0	-10.94	308.55	5.25	-5.69
CN(CC1=NC=CS1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007858	0	32	0.0	-9.48	292.81	3.14	-6.34
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000007859	1	55	0.0	-14.65	416.34	7.56	-7.10
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000007860	1	52	0.0	-11.60	407.04	8.10	-3.50
CCCOC1=CC=CC=C1C(CC(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007861	0	55	0.0	-9.02	430.02	7.16	-1.86
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000007862	1	52	0.0	-14.71	393.41	6.69	-8.02
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000007863	1	49	0.0	-11.95	389.31	6.54	-5.41
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007864	0	55	0.0	-17.94	432.78	10.89	-7.05
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007865	0	52	0.0	-9.70	404.05	6.47	-3.22
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)CCCC1=NNN=N1	REAL000000007866	1	44	0.0	-27.96	362.67	4.63	-23.33
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)CCC1=NNN=N1	REAL000000007867	1	41	0.0	-22.84	341.17	3.85	-18.99
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007868	0	47	0.0	-19.79	385.89	7.62	-12.16
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007869	0	44	0.0	-18.93	369.45	4.75	-14.18
CC(C)(C)OC(=O)C1CN(C(=O)CCCC2=NNN=N2)CCO1	REAL000000007870	1	46	0.0	-17.96	362.03	4.67	-13.29
CC(C)(C)OC(=O)C1CN(C(=O)CCC2=NNN=N2)CCO1	REAL000000007871	1	43	0.0	-13.43	340.56	3.89	-9.54
CC(C)(C)OC(=O)C1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCO1	REAL000000007872	0	49	0.0	-17.59	386.26	7.09	-10.50
CC(C)(C)OC(=O)C1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCO1	REAL000000007873	0	46	0.0	-12.07	369.68	4.90	-7.17
CCOC(CCNC(=O)CCCC1=NNN=N1)C1CCCC1	REAL000000007874	1	49	0.0	-13.96	378.91	4.78	-9.17
CCOC(CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCC1	REAL000000007875	0	52	0.0	-15.92	404.14	7.57	-8.35
CCOC(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCC1	REAL000000007876	0	49	0.0	-8.98	389.51	4.57	-4.41
CCCCC1=CC=C(N(C)C(=O)CCCC2=NNN=N2)C=C1	REAL000000007877	1	45	0.0	-14.86	364.48	8.12	-6.74
CCCCC1=CC=C(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000007878	0	48	0.0	-16.97	378.11	10.15	-6.82
CCCCC1=CC=C(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000007879	0	45	0.0	-9.36	362.50	8.11	-1.24
CCOCC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000007880	0	43	0.0	-19.63	342.35	5.81	-13.82
CCOCC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000007881	0	40	0.0	-11.19	329.71	3.68	-7.51
COC(=O)C[C@H](NC(=O)CCCC1=NNN=N1)C1=CC=C(Cl)C=C1	REAL000000007882	1	42	0.0	-18.91	373.01	6.03	-12.87
COC(=O)C[C@H](NC(=O)CCC1=NNN=N1)C1=CC=C(Cl)C=C1	REAL000000007883	1	39	0.0	-14.57	351.60	5.29	-9.28
COC(=O)C[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(Cl)C=C1	REAL000000007884	0	42	0.0	-11.40	376.76	5.19	-6.21
COC1=CC(N2CCC(N(C)C(=O)CCCC3=NNN=N3)C2=O)=CC(OC)=C1	REAL000000007885	1	52	0.0	-25.57	409.07	4.41	-21.16
COC1=CC(N2CCC(N(C)C(=O)CCC3=NNN=N3)C2=O)=CC(OC)=C1	REAL000000007886	1	49	0.0	-21.38	386.38	3.44	-17.94
COC1=CC(OC)=CC(N2CCC(NC(=O)CCCC3=NNN=N3)C2=O)=C1	REAL000000007887	1	49	0.0	-29.30	397.12	2.58	-26.72
COC1=CC(OC)=CC(N2CCC(NC(=O)CCC3=NNN=N3)C2=O)=C1	REAL000000007888	1	46	0.0	-23.19	375.28	1.80	-21.39
CC1(C)C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1(C)C	REAL000000007889	0	42	0.0	-14.97	331.24	7.01	-7.96
CC(NC(=O)CCCC1=NNN=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007890	1	44	0.0	-15.05	375.66	3.44	-11.61
CC(NC(=O)CCC1=NNN=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007891	1	41	0.0	-11.54	354.16	2.66	-8.88
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007892	0	47	0.0	-16.34	400.79	6.29	-10.05
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007893	0	44	0.0	-11.38	386.25	3.23	-8.15
CC1=CN=C(C(C)(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000007894	0	41	0.0	-13.10	345.85	5.45	-7.65
CC1=CN=C(C(C)(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000007895	0	38	0.0	-8.75	331.32	2.38	-6.37
O=C(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OC1CCCCC1	REAL000000007896	0	45	0.0	-13.31	364.83	7.02	-6.29
O=C(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OC1CCCCC1	REAL000000007897	0	42	0.0	-9.20	350.28	3.95	-5.25
CNC(=O)C(C)CN(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007898	0	42	0.0	-20.98	337.93	3.82	-17.16
CNC(=O)C(C)CN(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007899	0	39	0.0	-13.33	320.48	1.84	-11.49
O=C(CCCC1=NNN=N1)NNC(=O)CC1=CN2C=CC=CC2=N1	REAL000000007900	1	40	0.0	-24.52	346.05	3.55	-20.97
O=C(CCC1=NNN=N1)NNC(=O)CC1=CN2C=CC=CC2=N1	REAL000000007901	1	37	0.0	-21.42	324.56	2.77	-18.65
CCOC(=O)CC(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1C	REAL000000007903	1	48	0.0	-17.93	392.40	7.25	-10.68
CCOC(=O)CC(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1C	REAL000000007904	1	45	0.0	-13.65	370.91	6.46	-7.18
CCOC(=O)CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1C	REAL000000007905	0	51	0.0	-20.28	417.56	10.10	-10.18
CCOC(=O)CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1C	REAL000000007906	0	48	0.0	-13.33	403.46	6.99	-6.34
O=C(CCCC1=NNN=N1)NC1=CC=CC(SC2=CC=C(Cl)C=C2)=C1	REAL000000007909	1	41	0.0	-14.41	373.75	7.99	-6.42
O=C(CCC1=NNN=N1)NC1=CC=CC(SC2=CC=C(Cl)C=C2)=C1	REAL000000007910	1	38	0.0	-10.44	352.25	7.21	-3.23
COC(=O)C1=CC(NC(=O)CCCC2=NNN=N2)=CC=C1C	REAL000000007911	1	39	0.0	-19.12	327.34	4.57	-14.54
COC(=O)C1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1C	REAL000000007912	0	42	0.0	-20.30	352.86	7.40	-12.90
COC(=O)C1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1C	REAL000000007913	0	39	0.0	-12.90	338.27	4.35	-8.54
CCN(CC1=CC=CC=N1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007914	0	41	0.0	-14.91	332.55	6.85	-8.06
CCN(CC1=CC=CC=N1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007915	0	38	0.0	-13.88	318.92	5.29	-8.59
O=C(CCCC1=NNN=N1)NCCCCCC(=O)OCC1=CC=CC=C1	REAL000000007916	1	51	0.0	-17.80	424.33	7.58	-10.21
O=C(CCC1=NNN=N1)NCCCCCC(=O)OCC1=CC=CC=C1	REAL000000007917	1	48	0.0	-14.06	402.84	6.80	-7.27
O=C(CCCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OCC1=CC=CC=C1	REAL000000007918	0	51	0.0	-13.29	434.93	7.37	-5.93
CCCCOC1CC(N(C)C(=O)CCCC2=NNN=N2)C1(C)C	REAL000000007919	1	52	0.0	-16.57	391.43	6.49	-10.08
CCCCOC1CC(N(C)C(=O)CCC2=NNN=N2)C1(C)C	REAL000000007920	1	49	0.0	-11.79	369.93	5.71	-6.08
CCCCOC1CC(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1(C)C	REAL000000007921	0	55	0.0	-18.26	414.61	8.79	-9.47
CCCCOC1CC(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1(C)C	REAL000000007922	0	52	0.0	-10.71	403.96	7.33	-3.38
CC(C)(NC(=O)CCCC1=NNN=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007923	1	41	0.0	-16.58	337.01	5.46	-11.12
CC(C)(NC(=O)CCC1=NNN=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007924	1	38	0.0	-13.06	315.51	4.68	-8.38
CC(C)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007925	0	44	0.0	-17.42	362.30	8.32	-9.10
CC(C)(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL000000007926	0	41	0.0	-11.71	347.60	5.25	-6.46
CN(CC(O)COC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=NNN=N1	REAL000000007927	1	47	0.0	-16.47	399.05	4.56	-11.91
CN(CC(O)COC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=NNN=N1	REAL000000007928	1	44	0.0	-12.88	376.65	3.87	-9.00
CN(CC(O)COC1=CC=CC=C1C(F)(F)F)C(=O)CCCC1=NNN=N1	REAL000000007929	1	47	0.0	-19.08	397.80	4.65	-14.44
CN(CC(O)COC1=CC=CC=C1C(F)(F)F)C(=O)CCC1=NNN=N1	REAL000000007930	1	44	0.0	-15.53	375.40	3.96	-11.56
CC(C)OCCOCC(O)CN(C)C(=O)CCCC1=NNN=N1	REAL000000007931	1	50	0.0	-16.50	401.11	2.18	-14.32
CC(C)OCCOCC(O)CN(C)C(=O)CCC1=NNN=N1	REAL000000007932	1	47	0.0	-14.20	380.66	0.73	-13.46
CC(C)OCCOCC(O)CN(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007933	0	53	0.0	-19.13	425.05	4.86	-14.27
CC(C)OCCOCC(O)CN(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007934	0	50	0.0	-14.78	411.04	1.83	-12.95
CCCN(CC(C)(C)O)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007935	0	42	0.0	-9.08	331.02	4.09	-4.99
CCN(CC(C)(C)O)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007936	0	42	0.0	-15.42	326.07	4.78	-10.64
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC1CC1=CC=CC=C1	REAL000000007938	0	43	0.0	-18.38	351.53	8.86	-9.52
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC1CC1=CC=CC=C1	REAL000000007939	0	40	0.0	-10.38	337.86	6.45	-3.93
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)CCCC2=NNN=N2)S1	REAL000000007940	1	44	0.0	-14.97	364.37	4.34	-10.63
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)CCC2=NNN=N2)S1	REAL000000007941	1	41	0.0	-11.22	342.87	3.56	-7.66
COC(=O)C1=C(C(C)(C)C)N=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000007942	0	44	0.0	-9.18	374.94	4.12	-5.06
COC(=O)C(C)C(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000007943	1	45	0.0	-17.41	361.96	5.53	-11.88
COC(=O)C(C)C(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000007944	1	42	0.0	-15.46	348.12	5.14	-10.32
COC(=O)C(C)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000007945	0	48	0.0	-21.82	386.72	8.39	-13.42
COC(=O)C(C)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000007946	0	45	0.0	-13.38	372.64	5.29	-8.09
COC(=O)C1=C(N2CCC(NC(=O)CCCC3=NNN=N3)C2=O)SC=C1	REAL000000007947	1	44	0.0	-26.71	389.77	4.40	-22.31
COC(=O)C1=C(N2CCC(NC(=O)CCC3=NNN=N3)C2=O)SC=C1	REAL000000007948	1	41	0.0	-21.92	368.27	3.62	-18.30
CC1=C(C2=CC=CC(Br)=C2)C(NC(=O)CCCC2=NNN=N2)=NN1	REAL000000007949	1	40	0.0	-18.84	362.72	5.87	-12.97
CC1=C(C2=CC=CC(Br)=C2)C(NC(=O)CCC2=NNN=N2)=NN1	REAL000000007950	1	37	0.0	-14.43	341.21	5.09	-9.34
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1C#CC1=CC=CC=C1	REAL000000007951	1	42	0.0	-14.85	363.24	8.64	-6.21
O=C(CCC1=NNN=N1)NC1=CC=CC=C1C#CC1=CC=CC=C1	REAL000000007952	1	39	0.0	-10.97	341.74	7.85	-3.12
O=C(NC1=CC=CC=C1C#CC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007953	0	42	0.0	-10.96	373.82	8.42	-2.54
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)CCCC1=NNN=N1	REAL000000007954	1	45	0.0	-14.91	367.24	7.97	-6.94
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)CCC1=NNN=N1	REAL000000007955	1	42	0.0	-10.71	347.79	7.21	-3.49
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007956	0	48	0.0	-16.86	393.67	10.57	-6.29
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007957	0	45	0.0	-9.91	374.16	8.40	-1.51
CC(NC(=O)CCCC1=NNN=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007958	1	44	0.0	-15.05	375.66	3.44	-11.61
CC(NC(=O)CCC1=NNN=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007959	1	41	0.0	-11.54	354.16	2.66	-8.88
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007960	0	47	0.0	-16.34	400.79	6.29	-10.05
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(CC2=CC=CC=C2)=N1	REAL000000007961	0	44	0.0	-11.38	386.25	3.23	-8.15
CN1C=C(CC2CCN(C(=O)CCCC3=NNN=N3)C2)C=N1	REAL000000007962	1	43	0.0	-18.72	350.99	5.03	-13.69
CN1C=C(CC2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)C2)C=N1	REAL000000007963	0	46	0.0	-22.14	370.48	7.28	-14.86
CN1C=C(CC2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)C2)C=N1	REAL000000007964	0	43	0.0	-15.67	358.02	5.18	-10.50
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000007965	1	47	0.0	-17.31	380.25	7.55	-9.75
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)CCC1=NNN=N1	REAL000000007966	1	44	0.0	-13.02	359.76	6.82	-6.20
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007967	0	47	0.0	-11.41	390.87	7.34	-4.07
CC(C)(C)C1=CN=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000007968	0	44	0.0	-15.05	366.55	3.79	-11.26
CC(C)(C)C1=CN=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000007969	0	41	0.0	-9.94	351.60	0.76	-9.18
O=C(CCCC1=NNN=N1)NC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL000000007970	1	50	0.0	-18.60	394.77	5.65	-12.95
O=C(CCC1=NNN=N1)NC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL000000007971	1	47	0.0	-14.78	372.76	4.90	-9.88
O=C(NC1=CC=CC(NC(=O)C2CCCCC2)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007972	0	50	0.0	-13.61	405.22	5.45	-8.16
COC(=O)CC1(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000007973	0	42	0.0	-14.49	345.24	6.34	-8.15
COC(=O)CC1(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000007974	0	39	0.0	-9.82	329.78	3.11	-6.72
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(C2=CC(F)=CC=C2F)CC1	REAL000000007977	0	45	0.0	-15.43	363.12	7.17	-8.26
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(C2=CC(F)=CC=C2F)CC1	REAL000000007978	0	42	0.0	-9.97	353.85	5.18	-4.79
CCSC1CCCCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007979	0	46	0.0	-15.33	367.90	8.55	-6.78
CCSC1CCCCC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007980	0	43	0.0	-9.07	353.37	5.48	-3.59
CC(NC(=O)CCCC1=NNN=N1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007981	1	44	0.0	-14.76	375.82	3.48	-11.28
CC(NC(=O)CCC1=NNN=N1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007982	1	41	0.0	-11.13	354.31	2.70	-8.43
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007983	0	47	0.0	-15.14	401.38	6.29	-8.85
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NC(CC2=CC=CC=C2)=NO1	REAL000000007984	0	44	0.0	-10.11	386.42	3.27	-6.85
COC(=O)[C@H]1CCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007985	0	42	0.0	-16.92	338.34	7.82	-9.10
COC(=O)[C@H]1CCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007986	0	39	0.0	-14.34	317.31	5.31	-9.03
CCN1N=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C1CC1	REAL000000007987	0	43	0.0	-17.52	355.74	7.82	-9.70
CCN1N=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C1CC1	REAL000000007988	0	40	0.0	-11.93	341.22	4.76	-7.17
COC1=CC=C(C2=CC=C(CNC(=O)CCCC3=NNN=N3)S2)C=C1	REAL000000007989	1	44	0.0	-15.13	379.81	5.58	-9.56
COC1=CC=C(C2=CC=C(CNC(=O)CCC3=NNN=N3)S2)C=C1	REAL000000007990	1	41	0.0	-11.42	358.31	4.80	-6.62
COC1=CC=C(C2=CC=C(CNC(=O)C3=CC=C(C4=NNN=N4)C=N3)S2)C=C1	REAL000000007991	0	44	0.0	-10.78	390.41	5.36	-5.42
COC(=O)CC1=CC=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000007992	1	39	0.0	-17.35	329.56	4.99	-12.35
COC(=O)CC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000007993	0	42	0.0	-18.73	355.35	7.85	-10.87
COC(=O)CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000007994	0	39	0.0	-12.72	341.08	4.82	-7.91
CC(C)(C)OCC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000007995	1	46	0.0	-15.54	367.92	5.24	-10.30
CC(C)(C)OCC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000007996	1	43	0.0	-11.31	346.42	4.46	-6.85
CC(C)(C)OCC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000007997	0	49	0.0	-16.83	393.61	8.04	-8.79
CC(C)(C)OCC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000007998	0	46	0.0	-10.41	378.52	5.02	-5.39
O=C(CCCC1=NNN=N1)N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL000000007999	1	37	0.0	-12.22	330.03	6.71	-5.51
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL000000008001	0	40	0.0	-13.09	353.74	9.13	-3.97
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL000000008002	0	37	0.0	-8.43	337.78	7.00	-1.43
CCC1=CC(N2CCC(NC(=O)CCCC3=NNN=N3)CC2)=NC=N1	REAL000000008003	1	49	0.0	-16.36	388.39	4.75	-11.61
CCC1=CC(N2CCC(NC(=O)CCC3=NNN=N3)CC2)=NC=N1	REAL000000008004	1	46	0.0	-13.92	366.88	3.97	-9.95
CCC1=CC(N2CCC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)=NC=N1	REAL000000008005	0	52	0.0	-17.81	413.54	7.60	-10.20
CCC1=CC(N2CCC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=NC=N1	REAL000000008006	0	49	0.0	-11.23	398.99	4.53	-6.70
CC1=CC=C2C(=C1)OC(C)CN2C(=O)CCCC1=NNN=N1	REAL000000008007	1	41	0.0	-16.71	327.08	5.60	-11.11
CC1=CC=C2C(=C1)OC(C)CN2C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008008	0	44	0.0	-17.90	351.05	7.99	-9.91
CC1=CC=C2C(=C1)OC(C)CN2C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008009	0	41	0.0	-11.16	334.64	5.90	-5.26
CC(NC(=O)CCCC1=NNN=N1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008010	1	41	0.0	-13.40	370.48	3.26	-10.14
CC(NC(=O)CCC1=NNN=N1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008011	1	38	0.0	-9.99	348.97	2.49	-7.50
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL000000008012	0	41	0.0	-9.57	381.06	3.05	-6.52
CCSC1CCCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008013	0	43	0.0	-13.59	352.66	7.65	-5.93
CCSC1CCCC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008014	0	40	0.0	-8.48	338.11	4.57	-3.91
O=C(NC1CC(=O)N(C2CC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008015	0	41	0.0	-21.05	337.42	5.09	-15.97
O=C(NC1CC(=O)N(C2CC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008016	0	38	0.0	-14.07	322.92	2.02	-12.05
CCCCCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC	REAL000000008017	0	47	0.0	-18.29	387.41	7.67	-10.62
CCCCCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC	REAL000000008018	0	44	0.0	-11.81	372.86	4.60	-7.20
CCC1=NOC(C2=CC=C(C)C(NC(=O)CCCC3=NNN=N3)=C2)=N1	REAL000000008019	1	44	0.0	-19.76	368.13	4.20	-15.56
CCC1=NOC(C2=CC=C(C)C(NC(=O)CCC3=NNN=N3)=C2)=N1	REAL000000008020	1	41	0.0	-15.33	346.64	3.42	-11.91
CCC1=NOC(C2=CC=C(C)C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)=N1	REAL000000008021	0	47	0.0	-21.39	394.76	7.11	-14.27
CCC1=NOC(C2=CC=C(C)C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)=N1	REAL000000008022	0	44	0.0	-13.49	378.72	3.98	-9.50
O=C(CCCC1=NNN=N1)NCC#CC1=CC=C(C(F)(F)F)C=C1	REAL000000008023	1	38	0.0	-13.62	348.89	5.96	-7.66
O=C(CCC1=NNN=N1)NCC#CC1=CC=C(C(F)(F)F)C=C1	REAL000000008024	1	35	0.0	-10.11	327.39	5.18	-4.94
O=C(NCC#CC1=CC=C(C(F)(F)F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008025	0	41	0.0	-14.64	374.04	8.80	-5.84
O=C(NCC#CC1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008026	0	38	0.0	-9.22	359.47	5.74	-3.48
CC(C(=O)OC(C)(C)C)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008027	0	47	0.0	-14.81	368.34	7.67	-7.15
CC(C(=O)OC(C)(C)C)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008028	0	44	0.0	-10.12	353.50	5.69	-4.43
COC1=CC=CC=C1CC(NC(=O)CCCC1=NNN=N1)C(C)C	REAL000000008029	1	49	0.0	-13.56	376.77	6.62	-6.94
COC1=CC=CC=C1CC(NC(=O)CCC1=NNN=N1)C(C)C	REAL000000008030	1	46	0.0	-12.30	364.65	5.12	-7.17
COC1=CC=CC=C1CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(C)C	REAL000000008031	0	52	0.0	-18.15	407.77	8.49	-9.66
COC1=CC=CC=C1CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(C)C	REAL000000008032	0	49	0.0	-10.57	392.10	5.78	-4.80
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)CCCC1=NNN=N1	REAL000000008033	1	42	0.0	-14.44	353.52	5.93	-8.52
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)CCC1=NNN=N1	REAL000000008034	1	39	0.0	-10.43	332.03	5.15	-5.29
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008035	0	42	0.0	-9.38	364.11	5.71	-3.67
CC[NH+](CC)CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL000000008036	0	51	0.0	-70.82	386.68	5.39	-65.43
CC[NH+](CC)CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL000000008036	1	51	0.0	-70.80	386.63	5.38	-65.42
CC[NH+](CC)CCOC1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL000000008037	0	48	0.0	-62.12	365.21	4.61	-57.51
CC[NH+](CC)CCOC1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL000000008037	1	48	0.0	-62.12	365.15	4.60	-57.52
CC(C)OCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008040	0	51	0.0	-67.94	392.71	4.58	-63.37
CC(C)OCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008040	1	51	0.0	-67.93	392.65	4.58	-63.35
CC(C)OCC[NH+]1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL000000008041	0	48	0.0	-60.87	371.20	3.81	-57.06
CC(C)OCC[NH+]1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL000000008041	1	48	0.0	-60.87	371.14	3.81	-57.05
COC1=CC(CN2CCN(C(=O)CCCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000008044	1	53	0.0	-15.65	411.65	3.29	-12.36
COC1=CC(CN2CCN(C(=O)CCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000008045	1	50	0.0	-11.70	390.15	2.50	-9.19
O=C(CCCC1=NNN=N1)NCCOC1=C(Cl)C=C(Cl)C=C1Cl	REAL000000008046	1	37	0.0	-12.61	365.14	4.88	-7.73
O=C(CCC1=NNN=N1)NCCOC1=C(Cl)C=C(Cl)C=C1Cl	REAL000000008047	1	34	0.0	-9.24	343.65	4.10	-5.14
COC1=CC=CC=C1C(CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000008048	1	49	0.0	-14.13	376.08	5.63	-8.50
COC1=CC=CC=C1C(CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000008049	1	46	0.0	-11.94	363.67	6.35	-5.58
COC1=CC=CC=C1C(CC(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008051	0	49	0.0	-9.37	386.65	5.42	-3.96
COC1=NC=C(C)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008052	0	39	0.0	-14.93	329.28	3.73	-11.20
COC1=NC=C(C)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008053	0	36	0.0	-10.01	314.90	0.65	-9.36
COC(=O)CC(C)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008056	0	50	0.0	-19.98	384.90	5.55	-14.43
COC(=O)CC(C)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008057	0	47	0.0	-12.42	370.93	3.82	-8.61
NC1=NSC(N2CCN(C(=O)CCCC3=NNN=N3)CC2)=N1	REAL000000008060	1	39	0.0	-17.53	328.24	2.38	-15.15
NC1=NSC(N2CCN(C(=O)CCC3=NNN=N3)CC2)=N1	REAL000000008061	1	36	0.0	-13.25	306.69	1.59	-11.66
NC1=NSC(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)=N1	REAL000000008062	0	42	0.0	-18.22	351.01	4.85	-13.37
NC1=NSC(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=N1	REAL000000008063	0	39	0.0	-12.32	336.24	2.58	-9.74
CN(CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1)C(=O)OC(C)(C)C	REAL000000008064	1	56	0.0	-17.57	449.39	6.48	-11.09
CN(CC1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1)C(=O)OC(C)(C)C	REAL000000008065	1	53	0.0	-14.08	427.88	5.70	-8.37
COCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000008066	0	49	0.0	-15.09	378.86	6.23	-8.87
COCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000008067	0	46	0.0	-8.75	364.35	3.33	-5.42
O=C(CCCC1=NNN=N1)NCCOC1=NC=CC=C1Cl	REAL000000008068	1	36	0.0	-15.42	325.98	1.10	-14.32
O=C(NCCOC1=NC=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008069	0	39	0.0	-17.35	351.14	3.94	-13.41
O=C(NCCOC1=NC=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008070	0	36	0.0	-11.74	336.58	0.88	-10.86
CN(CC1=CC=CN1C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008071	0	40	0.0	-10.59	322.06	7.48	-3.11
O=C(NC1(CC2=CC=CC=C2)CCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008072	0	46	0.0	-15.07	369.53	9.10	-5.97
O=C(NC1(CC2=CC=CC=C2)CCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008073	0	43	0.0	-9.03	354.66	6.07	-2.96
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008074	1	44	0.0	-13.54	366.73	6.96	-6.58
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)CCC2=NNN=N2)=C1	REAL000000008075	1	41	0.0	-10.07	345.23	6.18	-3.90
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008076	0	47	0.0	-15.08	392.43	9.92	-5.16
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008077	0	44	0.0	-10.23	375.99	6.80	-3.43
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC(C2=CC=CO2)C1	REAL000000008078	0	41	0.0	-18.29	336.08	5.65	-12.64
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC(C2=CC=CO2)C1	REAL000000008079	0	38	0.0	-11.13	320.91	3.55	-7.58
CCOCCC1(CNC(=O)CCCC2=NNN=N2)CCCC1	REAL000000008080	1	49	0.0	-13.04	374.32	4.51	-8.53
CCOCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000008081	0	52	0.0	-14.99	400.72	7.20	-7.79
CCOCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000008082	0	49	0.0	-8.67	386.21	4.31	-4.37
CC(C)CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008083	0	48	0.0	-14.97	362.74	8.72	-6.24
CC(C)CC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008084	0	45	0.0	-8.48	346.01	6.38	-2.11
CS(=O)(=O)C1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008085	1	39	0.0	-27.06	319.49	0.99	-26.08
CS(=O)(=O)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008086	0	42	0.0	-29.43	343.10	3.47	-25.96
CS(=O)(=O)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008087	0	39	0.0	-20.64	327.73	1.19	-19.45
O=C(CCCC1=NNN=N1)NC1CC1CC1=CC=C(C(F)(F)F)C=C1	REAL000000008088	1	43	0.0	-14.80	374.15	6.80	-8.00
O=C(CCC1=NNN=N1)NC1CC1CC1=CC=C(C(F)(F)F)C=C1	REAL000000008089	1	40	0.0	-11.85	350.57	6.16	-5.69
O=C(NC1CC1CC1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008090	0	43	0.0	-10.41	382.68	6.72	-3.69
COC1=CC=C(CC2CCN2C(=O)CCCC2=NNN=N2)C=C1	REAL000000008091	1	44	0.0	-16.06	359.96	5.79	-10.27
COC1=CC=C(CC2CCN2C(=O)CCC2=NNN=N2)C=C1	REAL000000008092	1	41	0.0	-12.02	339.43	5.09	-6.93
COC1=CC=C(CC2CCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008093	0	47	0.0	-18.95	380.78	8.18	-10.77
COC1=CC=C(CC2CCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008094	0	44	0.0	-12.24	367.91	5.71	-6.53
O=C(CCCC1=NNN=N1)N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL000000008095	1	47	0.0	-17.62	406.44	7.62	-10.00
O=C(CCC1=NNN=N1)N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL000000008096	1	44	0.0	-13.13	384.89	6.86	-6.27
COC(=O)C1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000008097	0	45	0.0	-17.01	360.23	6.95	-10.07
COC(=O)C1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000008098	0	42	0.0	-10.81	345.68	3.88	-6.93
CC1=C(NC(=O)CCCC2=NNN=N2)C=CC=C1C(F)(F)F	REAL000000008099	1	36	0.0	-13.79	308.22	5.13	-8.66
CC1=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=CC=C1C(F)(F)F	REAL000000008100	0	39	0.0	-14.28	333.10	7.87	-6.41
CC1=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=CC=C1C(F)(F)F	REAL000000008101	0	36	0.0	-8.33	317.84	4.87	-3.46
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008102	0	51	0.0	-75.46	379.75	8.85	-66.61
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008102	1	51	0.0	-75.38	379.33	8.78	-66.60
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008102	1	51	0.0	-75.44	379.70	8.84	-66.60
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008102	1	51	0.0	-75.36	379.27	8.77	-66.59
CN(C(=O)CCC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008103	0	48	0.0	-62.06	368.89	7.59	-54.47
CN(C(=O)CCC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008103	1	48	0.0	-62.06	368.83	7.59	-54.47
CN(C(=O)CCC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL000000008103	1	48	0.0	-62.06	368.83	7.59	-54.46
CN(C(=O)CCC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL000000008103	1	48	0.0	-62.05	368.78	7.60	-54.46
CC(NC(=O)OC(C)(C)C)C1CN(C(=O)CCCC2=NNN=N2)CCO1	REAL000000008106	1	54	0.0	-18.11	414.51	2.62	-15.49
CC(NC(=O)OC(C)(C)C)C1CN(C(=O)CCC2=NNN=N2)CCO1	REAL000000008107	1	51	0.0	-13.54	394.26	2.42	-11.12
O=C(CCCC1=NNN=N1)NCCC1=C(F)C=CC=C1Cl	REAL000000008108	1	36	0.0	-15.21	323.38	4.72	-10.48
O=C(NCCC1=C(F)C=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008109	0	39	0.0	-16.99	348.50	7.57	-9.42
O=C(NCCC1=C(F)C=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008110	0	36	0.0	-10.18	333.98	4.51	-5.68
O=C(NC1CCCC2OCCC21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008111	0	44	0.0	-14.12	339.74	5.82	-8.29
O=C(NC1CCCC2OCCC21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008112	0	41	0.0	-8.40	324.06	2.86	-5.53
CCCOC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC(F)F)=C1	REAL000000008113	1	47	0.0	-16.82	393.54	4.14	-12.68
CCCOC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC(F)F)=C1	REAL000000008114	1	44	0.0	-13.39	372.04	3.36	-10.03
O=C(CCCC1=NNN=N1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008115	1	43	0.0	-17.43	371.40	7.57	-9.86
O=C(CCC1=NNN=N1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008116	1	40	0.0	-13.28	349.90	6.78	-6.51
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC(CC2=CC=C(C(F)(F)F)C=C2)C1	REAL000000008117	0	43	0.0	-13.24	379.34	7.41	-5.83
O=C(CCCC1=NNN=N1)NCCNC1=CC=C(C2=CC=CC=C2)N=N1	REAL000000008118	1	46	0.0	-23.50	384.53	4.06	-19.44
O=C(CCC1=NNN=N1)NCCNC1=CC=C(C2=CC=CC=C2)N=N1	REAL000000008119	1	43	0.0	-19.20	363.03	3.28	-15.92
O=C(NCCNC1=CC=C(C2=CC=CC=C2)N=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008120	0	46	0.0	-17.41	395.13	3.85	-13.56
CC1=C(C)NC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008121	0	39	0.0	-17.26	329.16	4.13	-13.13
O=C(CC1CCCN1C(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008122	1	45	0.0	-17.53	363.00	7.13	-10.40
O=C(CC1CCCN1C(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008123	1	42	0.0	-13.11	341.61	6.34	-6.77
O=C(CC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000008124	0	48	0.0	-21.76	385.09	9.46	-12.30
O=C(CC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000008125	0	45	0.0	-12.26	370.00	7.37	-4.89
O=C(CCCC1=NNN=N1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008126	1	43	0.0	-17.99	361.16	7.23	-10.76
O=C(CCC1=NNN=N1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008127	1	40	0.0	-13.48	339.17	6.36	-7.12
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC(CC2=CC=CC=C2C(F)(F)F)C1	REAL000000008128	0	43	0.0	-13.08	369.48	7.08	-6.00
O=C(CCCC1=NNN=N1)N1CC(CC2=CC=CC=C2OC(F)(F)F)C1	REAL000000008129	1	44	0.0	-14.17	374.78	6.46	-7.71
O=C(CCC1=NNN=N1)N1CC(CC2=CC=CC=C2OC(F)(F)F)C1	REAL000000008130	1	41	0.0	-10.88	353.28	5.67	-5.21
O=C(CCCC1=NNN=N1)N1CC(CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL000000008131	1	44	0.0	-16.13	378.58	6.36	-9.78
O=C(CCC1=NNN=N1)N1CC(CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL000000008132	1	41	0.0	-13.44	357.10	5.49	-7.95
O=C(CCCC1=NNN=N1)N1CCCCCC1C1CCCCC1=O	REAL000000008133	1	51	0.0	-11.29	368.43	8.12	-3.17
O=C(CCC1=NNN=N1)N1CCCCCC1C1CCCCC1=O	REAL000000008134	1	48	0.0	-8.87	346.88	7.33	-1.54
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCCC1C1CCCCC1=O	REAL000000008135	0	54	0.0	-12.16	388.84	9.89	-2.27
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCCC1C1CCCCC1=O	REAL000000008136	0	51	0.0	-9.89	377.13	8.32	-1.57
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2(CCOC2=O)CC1	REAL000000008137	0	43	0.0	-24.58	336.45	6.86	-17.72
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2(CCOC2=O)CC1	REAL000000008138	0	40	0.0	-16.50	320.06	4.57	-11.94
O=C(CCCC1=NNN=N1)N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL000000008139	1	50	0.0	-26.78	401.10	7.79	-18.99
O=C(CCC1=NNN=N1)N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL000000008140	1	47	0.0	-20.76	379.60	7.01	-13.75
O=C(CCCC1=NNN=N1)N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL000000008141	1	50	0.0	-21.46	395.61	5.80	-15.66
O=C(CCC1=NNN=N1)N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL000000008142	1	47	0.0	-14.58	374.31	4.99	-9.59
O=C(NCC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1)C1=CC=CC=C1	REAL000000008143	0	50	0.0	-13.99	403.97	5.97	-8.02
CN1CCC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C2C1=O	REAL000000008144	1	41	0.0	-28.00	335.91	3.91	-24.08
CN1CCC2=CC=C(NC(=O)CCC3=NNN=N3)C=C2C1=O	REAL000000008145	1	38	0.0	-22.92	314.41	3.13	-19.78
CN1CCC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2C1=O	REAL000000008146	0	44	0.0	-30.82	361.10	6.77	-24.06
CN1CCC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C2C1=O	REAL000000008147	0	41	0.0	-21.31	346.49	3.70	-17.61
CCC1(CC)CN(C(=O)CCCC2=NNN=N2)C2=CC=C(Br)C=C21	REAL000000008148	1	46	0.0	-12.04	370.87	8.05	-3.99
CCC1(CC)CN(C(=O)CCC2=NNN=N2)C2=CC=C(Br)C=C21	REAL000000008149	1	43	0.0	-7.90	349.36	7.27	-0.63
O=C(CCCC1=NNN=N1)NCC1=NC=CN1CCC1=CC=CC=C1	REAL000000008152	1	46	0.0	-15.92	385.06	6.59	-9.32
O=C(CCC1=NNN=N1)NCC1=NC=CN1CCC1=CC=CC=C1	REAL000000008153	1	43	0.0	-12.70	363.56	5.82	-6.89
O=C(NCC1=NC=CN1CCC1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008154	0	49	0.0	-17.12	410.61	9.42	-7.70
O=C(NCC1=NC=CN1CCC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008155	0	46	0.0	-12.00	395.66	6.39	-5.61
O=C(CCCC1=NNN=N1)NCC1=NC=CN1CCCC1=CC=CC=C1	REAL000000008156	1	49	0.0	-16.27	406.56	7.38	-8.89
O=C(CCC1=NNN=N1)NCC1=NC=CN1CCCC1=CC=CC=C1	REAL000000008157	1	46	0.0	-13.40	385.06	6.60	-6.80
O=C(NCC1=NC=CN1CCCC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008158	0	49	0.0	-12.88	417.10	7.18	-5.70
CCC(CNC(=O)CCCC1=NNN=N1)OC1=CC=CC(Cl)=C1	REAL000000008159	1	43	0.0	-13.27	361.93	4.77	-8.50
CCC(CNC(=O)CCC1=NNN=N1)OC1=CC=CC(Cl)=C1	REAL000000008160	1	40	0.0	-9.82	340.43	3.99	-5.84
CCC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OC1=CC=CC(Cl)=C1	REAL000000008161	0	46	0.0	-15.76	386.89	7.67	-8.09
CCC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OC1=CC=CC(Cl)=C1	REAL000000008162	0	43	0.0	-10.34	372.23	4.60	-5.73
COC(=O)CN(CCC(F)(F)F)C(=O)CCCC1=NNN=N1	REAL000000008163	1	38	0.0	-17.99	334.73	5.05	-12.94
COC(=O)CN(CCC(F)(F)F)C(=O)CCC1=NNN=N1	REAL000000008164	1	35	0.0	-14.16	313.23	4.27	-9.90
COC(=O)CN(CCC(F)(F)F)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008165	0	41	0.0	-17.95	358.21	7.45	-10.49
COC(=O)CN(CCC(F)(F)F)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008166	0	38	0.0	-14.03	342.07	5.69	-8.34
COCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000008167	0	46	0.0	-15.10	363.50	5.59	-9.51
COCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000008168	0	43	0.0	-8.88	348.86	2.56	-6.32
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL000000008169	0	50	0.0	-67.18	397.94	8.17	-59.01
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL000000008169	1	50	0.0	-67.16	397.89	8.16	-59.00
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCC1=NN=N[N-]1	REAL000000008170	0	47	0.0	-65.17	372.11	7.12	-58.05
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCC1=N[N-]N=N1	REAL000000008170	1	47	0.0	-65.17	372.05	7.11	-58.06
CC(C)[C@H](NC(=O)CCCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000008173	1	47	0.0	-11.15	359.99	4.69	-6.46
CC(C)[C@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000008174	0	50	0.0	-12.24	388.20	7.78	-4.46
CC(C)[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000008175	0	47	0.0	-8.13	370.58	4.48	-3.65
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)CCCC1=NNN=N1	REAL000000008176	1	42	0.0	-14.45	346.27	6.09	-8.36
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)CCC1=NNN=N1	REAL000000008177	1	39	0.0	-10.49	324.77	5.31	-5.18
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008178	0	45	0.0	-15.56	370.60	8.52	-7.04
COC(=O)C(C1=CC=CC=C1)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008179	0	42	0.0	-11.07	351.19	6.31	-4.76
O=C(CCCC1=NNN=N1)NCC1=CSC(CCC2=CC=CC=C2)=N1	REAL000000008180	1	45	0.0	-15.02	391.97	5.74	-9.29
O=C(CCC1=NNN=N1)NCC1=CSC(CCC2=CC=CC=C2)=N1	REAL000000008181	1	42	0.0	-11.17	370.48	4.96	-6.21
O=C(NCC1=CSC(CCC2=CC=CC=C2)=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008182	0	45	0.0	-10.79	402.57	5.52	-5.27
O=C(CCCC1=NN=N[N-]1)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL000000008183	0	55	0.0	-71.76	392.98	5.05	-66.71
O=C(CCC1=NN=N[N-]1)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL000000008184	0	52	0.0	-61.76	370.75	4.17	-57.60
O=C(NCC1(CN2CCOCC2)CCCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008185	1	58	0.0	-15.42	422.78	6.16	-9.26
O=C(NCC1(CN2CCOCC2)CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008186	0	55	0.0	-8.81	407.68	3.15	-5.67
CC1=CC=CC=C1CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008187	0	42	0.0	-16.85	344.51	7.58	-9.28
CC1=CC=CC=C1CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008188	0	39	0.0	-9.70	329.95	4.51	-5.20
CC1(C)OCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000008189	0	41	0.0	-15.76	338.48	3.67	-12.09
CC1(C)OCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000008190	0	38	0.0	-9.69	323.52	0.65	-9.04
NC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000008191	1	50	0.0	-23.04	411.12	0.11	-22.93
NC(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)CCC1=NNN=N1	REAL000000008192	1	47	0.0	-20.85	389.62	-0.67	-21.52
COCCOC1=CC=CC=C1N1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008193	1	53	0.0	-17.98	412.93	4.38	-13.59
COCCOC1=CC=CC=C1N1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008194	1	50	0.0	-12.47	396.43	3.64	-8.83
CC(CC(O)C1=CC=CO1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008195	0	43	0.0	-18.37	358.75	4.44	-13.93
CC(CC(O)C1=CC=CO1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008196	0	40	0.0	-11.54	344.21	1.38	-10.16
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)CCCC1=NNN=N1	REAL000000008197	1	35	0.0	-13.14	326.08	3.81	-9.33
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)CCC1=NNN=N1	REAL000000008198	1	32	0.0	-16.16	304.85	3.03	-13.13
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008199	0	38	0.0	-10.94	349.18	6.25	-4.69
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008200	0	35	0.0	-15.23	334.12	4.11	-11.11
COC(=O)C1(F)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008201	0	39	0.0	-16.87	326.52	5.82	-11.05
COC(=O)C1(F)CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008202	0	36	0.0	-10.87	313.49	3.76	-7.11
COC1=C(F)C=C(F)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008203	0	37	0.0	-13.64	327.46	5.91	-7.72
COC1=C(F)C=C(F)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008204	0	34	0.0	-8.05	311.58	2.83	-5.22
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCCC1=NN=N[N-]1	REAL000000008205	0	54	0.0	-71.83	409.43	8.29	-63.54
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCCC1=N[N-]N=N1	REAL000000008205	1	54	0.0	-71.82	409.37	8.28	-63.54
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCC1=NN=N[N-]1	REAL000000008206	0	51	0.0	-64.97	387.93	7.51	-57.47
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCC1=N[N-]N=N1	REAL000000008206	1	51	0.0	-64.97	387.87	7.50	-57.47
O=C(NCCC1=CC=C(Cl)N=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008208	0	38	0.0	-20.32	340.88	5.75	-14.57
O=C(NCCC1=CC=C(Cl)N=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008209	0	35	0.0	-12.95	326.33	2.68	-10.27
COC1=CC=CC(C=C2CCN(C(=O)CCCC3=NNN=N3)CC2)=C1	REAL000000008210	1	48	0.0	-15.83	375.93	6.99	-8.84
COC1=CC=CC(C=C2CCN(C(=O)CCC3=NNN=N3)CC2)=C1	REAL000000008211	1	45	0.0	-11.35	354.34	6.20	-5.15
COC1=CC=CC(C=C2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)=C1	REAL000000008212	0	51	0.0	-16.71	400.39	9.48	-7.24
COC1=CC=CC(C=C2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=C1	REAL000000008213	0	48	0.0	-10.80	384.39	7.23	-3.57
O=C(CCCC1=NN=N[N-]1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008214	0	58	0.0	-74.24	453.79	7.38	-66.86
O=C(CCCC1=N[N-]N=N1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008214	1	58	0.0	-74.22	453.73	7.38	-66.85
O=C(CCC1=NN=N[N-]1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008215	0	55	0.0	-66.97	432.29	6.60	-60.37
O=C(CCC1=N[N-]N=N1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL000000008215	1	55	0.0	-66.95	432.23	6.60	-60.36
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCCC(C)C)=C1	REAL000000008216	1	52	0.0	-13.76	414.78	6.55	-7.22
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCCC(C)C)=C1	REAL000000008217	1	49	0.0	-10.00	393.29	5.77	-4.23
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OCCC(C)C)=C1	REAL000000008218	0	55	0.0	-15.81	439.90	9.40	-6.41
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCCC(C)C)=C1	REAL000000008219	0	52	0.0	-9.72	425.38	6.33	-3.39
COC(=O)C1(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCOC1	REAL000000008220	0	40	0.0	-16.51	326.65	4.14	-12.37
COC(=O)C1(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCOC1	REAL000000008221	0	37	0.0	-10.67	312.10	1.07	-9.61
CN(CCOCC1CC1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008222	0	43	0.0	-14.91	349.96	6.75	-8.16
CN(CCOCC1CC1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008223	0	40	0.0	-8.86	334.48	4.67	-4.19
CS(=O)(=O)C1=CC=CC=C1NNC(=O)CCCC1=NNN=N1	REAL000000008224	1	38	0.0	-23.86	326.74	0.82	-23.03
CS(=O)(=O)C1=CC=CC=C1NNC(=O)CCC1=NNN=N1	REAL000000008225	1	35	0.0	-19.02	305.25	0.04	-18.98
CS(=O)(=O)C1=CC=CC=C1NNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008226	0	41	0.0	-24.61	352.28	3.58	-21.02
CS(=O)(=O)C1=CC=CC=C1NNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008227	0	38	0.0	-17.06	337.33	0.59	-16.47
O=C(CCCC1=NNN=N1)NN=C1N=CNC2=C1SC=C2	REAL000000008228	1	33	0.0	-27.25	303.82	3.62	-23.63
O=C(NN=C1N=CNC2=C1SC=C2)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008229	0	36	0.0	-30.52	329.39	6.38	-24.14
O=C(NN=C1N=CNC2=C1SC=C2)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008230	0	33	0.0	-23.38	314.44	3.38	-20.01
CCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008231	1	46	0.0	-13.89	375.72	5.23	-8.66
CCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008232	1	43	0.0	-10.13	354.22	4.45	-5.68
CCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008233	0	49	0.0	-15.95	400.83	8.09	-7.86
CCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008234	0	46	0.0	-9.86	386.31	5.03	-4.83
CCOC1=CC=C(C(C)NC(=O)CCCNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008235	1	56	0.0	-19.05	453.97	4.52	-14.53
CCOC1=CC=C(C(C)NC(=O)CCCNC(=O)CCC2=NNN=N2)C=C1	REAL000000008236	1	53	0.0	-15.73	432.47	3.74	-11.99
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL000000008239	0	42	0.0	-17.74	350.75	8.86	-8.88
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL000000008240	0	39	0.0	-12.69	334.83	6.73	-5.96
CN1N=C(C2CCCCC2)C=C1NC(=O)CCCC1=NNN=N1	REAL000000008241	1	46	0.0	-17.97	360.49	5.82	-12.15
CN1N=C(C2CCCCC2)C=C1NC(=O)CCC1=NNN=N1	REAL000000008242	1	43	0.0	-13.52	338.99	5.04	-8.48
CN1N=C(C2CCCCC2)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008243	0	49	0.0	-18.31	385.71	8.66	-9.65
CN1N=C(C2CCCCC2)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008244	0	46	0.0	-11.18	371.12	5.60	-5.58
CC(C)C1=CSC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008245	0	41	0.0	-15.11	353.66	5.35	-9.77
CC(C)C1=CSC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008246	0	38	0.0	-9.51	339.13	2.28	-7.22
O=C(CCCC1=NNN=N1)NCCN1C(=O)C2C3C=CC(C3)C2C1=O	REAL000000008247	1	45	0.0	-20.16	364.53	3.42	-16.74
O=C(CCC1=NNN=N1)NCCN1C(=O)C2C3C=CC(C3)C2C1=O	REAL000000008248	1	42	0.0	-16.09	343.05	2.65	-13.45
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008249	0	48	0.0	-21.92	389.67	6.28	-15.64
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008250	0	45	0.0	-15.07	375.15	3.21	-11.86
O=C(CCCC1=NNN=N1)N1CC2=CC(Cl)=CC=C2CC1C1=CC=CC=C1	REAL000000008251	1	47	0.0	-13.38	385.39	9.61	-3.77
O=C(CCC1=NNN=N1)N1CC2=CC(Cl)=CC=C2CC1C1=CC=CC=C1	REAL000000008252	1	44	0.0	-9.76	363.80	8.81	-0.95
O=C(CCCC1=NNN=N1)NCCS(=O)(=O)C1=CC=C(F)C=C1	REAL000000008253	1	39	0.0	-23.94	349.68	1.34	-22.60
O=C(CCC1=NNN=N1)NCCS(=O)(=O)C1=CC=C(F)C=C1	REAL000000008254	1	36	0.0	-19.67	328.18	0.56	-19.11
O=C(NCCS(=O)(=O)C1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008255	0	42	0.0	-25.41	374.83	4.19	-21.22
O=C(NCCS(=O)(=O)C1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008256	0	39	0.0	-17.73	360.28	1.13	-16.60
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008257	0	55	0.0	-74.96	409.83	9.19	-65.78
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008257	1	55	0.0	-73.38	399.10	8.64	-64.74
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008257	1	55	0.0	-74.94	409.78	9.19	-65.75
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008257	1	55	0.0	-73.36	399.05	8.64	-64.72
O=C(CCC1=NN=N[N-]1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008258	0	52	0.0	-62.09	377.61	7.86	-54.23
O=C(CCC1=NN=N[N-]1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008258	1	52	0.0	-63.47	388.28	8.41	-55.06
O=C(CCC1=N[N-]N=N1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL000000008258	1	52	0.0	-62.08	377.55	7.85	-54.23
O=C(CCC1=N[N-]N=N1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL000000008258	1	52	0.0	-63.46	388.22	8.40	-55.06
O=C(CCCC1=NNN=N1)NC1=CN(C2=CC=CC=C2F)N=C1	REAL000000008259	1	37	0.0	-24.02	319.09	4.69	-19.32
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008261	0	40	0.0	-25.34	344.22	7.55	-17.79
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008262	0	37	0.0	-17.29	329.66	4.48	-12.81
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=N1	REAL000000008263	0	38	0.0	-16.62	317.41	5.96	-10.65
CC1=CC=C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000008264	0	42	0.0	-16.95	351.88	7.91	-9.04
CC1=CC=C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000008265	0	39	0.0	-9.12	337.35	4.84	-4.27
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCCC1=NNN=N1	REAL000000008266	1	45	0.0	-18.93	353.03	6.31	-12.62
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008267	0	48	0.0	-20.17	368.72	7.98	-12.19
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008268	0	45	0.0	-14.22	361.70	6.08	-8.14
CCCCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008269	1	55	0.0	-13.81	440.20	7.59	-6.22
CCCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008270	1	52	0.0	-10.06	418.72	6.81	-3.25
CCCCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008271	0	55	0.0	-9.77	450.81	7.37	-2.39
O=C(CCCC1=NNN=N1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008272	1	46	0.0	-15.33	365.10	7.93	-7.40
O=C(CCC1=NNN=N1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008273	1	43	0.0	-10.15	337.85	6.96	-3.18
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008274	0	49	0.0	-16.75	383.48	10.24	-6.50
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(CC2=CC=CC=C2F)CC1	REAL000000008275	0	46	0.0	-10.31	372.81	8.16	-2.16
CCC1CN(C)C2=CC=CC=C2CN1C(=O)CCCC1=NNN=N1	REAL000000008276	1	48	0.0	-12.89	358.67	5.94	-6.95
CCC1CN(C)C2=CC=CC=C2CN1C(=O)CCC1=NNN=N1	REAL000000008277	1	45	0.0	-10.55	339.80	5.45	-5.10
CCC1CN(C)C2=CC=CC=C2CN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008278	0	51	0.0	-14.64	367.82	7.40	-7.24
CCC1CN(C)C2=CC=CC=C2CN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008279	0	48	0.0	-9.51	362.36	6.87	-2.64
O=C(NC1CCCCC1N1CCOCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008282	0	52	0.0	-15.11	388.62	4.80	-10.31
O=C(NC1CCCCC1N1CCOCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008283	0	49	0.0	-8.80	374.20	1.72	-7.08
O=C(CCCC1=NNN=N1)NC1=CC=C2C=C(Br)C=CC2=C1	REAL000000008284	1	36	0.0	-15.21	324.13	6.23	-8.98
O=C(CCC1=NNN=N1)NC1=CC=C2C=C(Br)C=CC2=C1	REAL000000008285	1	33	0.0	-11.12	302.63	5.45	-5.67
O=C(NC1=CC=C2C=C(Br)C=CC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008286	0	36	0.0	-9.46	334.42	6.03	-3.43
O=C(CCCC1=NNN=N1)N1CCC(=CC2=CC(Cl)=CC=C2Cl)CC1	REAL000000008287	1	44	0.0	-13.68	378.84	8.66	-5.02
O=C(CCC1=NNN=N1)N1CCC(=CC2=CC(Cl)=CC=C2Cl)CC1	REAL000000008288	1	41	0.0	-9.39	357.36	7.87	-1.52
O=C(CCCC1=NNN=N1)N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000008289	1	44	0.0	-15.89	364.80	7.90	-7.99
O=C(CCC1=NNN=N1)N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000008290	1	41	0.0	-11.47	343.32	7.10	-4.37
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC2CCCCCCC21	REAL000000008291	0	46	0.0	-17.67	342.56	7.71	-9.95
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC2CCCCCCC21	REAL000000008292	0	43	0.0	-10.68	323.85	5.51	-5.18
COC1=CC(OCCNC(=O)CCCC2=NNN=N2)=CC(OC)=C1	REAL000000008293	1	45	0.0	-16.51	371.39	1.75	-14.76
COC1=CC(OCCNC(=O)CCC2=NNN=N2)=CC(OC)=C1	REAL000000008294	1	42	0.0	-13.19	349.89	0.97	-12.22
COC1=CC(OCCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC(OC)=C1	REAL000000008295	0	48	0.0	-18.32	396.54	4.60	-13.72
COC1=CC(OC)=CC(OCCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008296	0	45	0.0	-12.70	381.99	1.54	-11.16
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)CCCC1=NNN=N1	REAL000000008297	1	43	0.0	-24.50	359.53	5.95	-18.55
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)CCC1=NNN=N1	REAL000000008298	1	40	0.0	-12.43	338.04	5.17	-7.26
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008299	0	46	0.0	-27.57	382.69	8.44	-19.13
CN(CC1=NC(C2=CC=CC=C2)=CN1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008300	0	43	0.0	-19.04	367.62	6.30	-12.73
CC(C)CN(CC1=CC=CC=C1Br)C(=O)CCCC1=NNN=N1	REAL000000008301	1	45	0.0	-11.37	366.04	8.31	-3.06
CC(C)CN(CC1=CC=CC=C1Br)C(=O)CCC1=NNN=N1	REAL000000008302	1	42	0.0	-7.60	344.46	7.29	-0.31
CCOCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000008303	0	49	0.0	-15.01	385.35	6.56	-8.44
CCOCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000008304	0	46	0.0	-8.81	370.71	3.53	-5.28
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000008305	1	51	0.0	-17.02	411.04	7.52	-9.50
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCC1=NNN=N1	REAL000000008306	1	48	0.0	-12.67	389.61	6.74	-5.93
CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008307	0	51	0.0	-12.29	421.70	7.30	-4.99
CC(NC(=O)OC(C)(C)C)C1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008308	1	56	0.0	-16.60	447.93	4.82	-11.78
CC(NC(=O)OC(C)(C)C)C1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1	REAL000000008309	1	53	0.0	-12.97	426.43	4.03	-8.94
CC1=CC(C2=CSC(NC(=O)CCCC3=NNN=N3)=N2)=CC=C1F	REAL000000008310	1	39	0.0	-15.04	346.22	5.98	-9.06
CC1=CC(C2=CSC(NC(=O)CCC3=NNN=N3)=N2)=CC=C1F	REAL000000008311	1	36	0.0	-11.43	324.72	5.20	-6.24
CC1=CC(C2=CSC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=N2)=CC=C1F	REAL000000008312	0	42	0.0	-14.80	371.34	8.82	-5.98
CC1=CC(C2=CSC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)=CC=C1F	REAL000000008313	0	39	0.0	-10.03	356.73	5.76	-4.27
O=C(NCC(O)C1=CC=CC=C1F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008314	0	40	0.0	-17.42	342.51	4.00	-13.42
O=C(NCC(O)C1=CC=CC=C1F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008315	0	37	0.0	-11.29	327.24	1.03	-10.25
CCCCC1=NC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2N1	REAL000000008318	0	48	0.0	-25.42	393.82	7.95	-17.48
CCCCC1=NC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2N1	REAL000000008318	1	48	0.0	-20.89	394.41	7.90	-12.99
CCCCC1=NC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2N1	REAL000000008319	0	45	0.0	-12.84	379.52	4.87	-7.96
CCCCC1=NC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C2N1	REAL000000008319	1	45	0.0	-13.69	379.43	4.87	-8.82
O=C(CCCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008320	1	48	0.0	-14.95	372.65	3.13	-11.82
O=C(CCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008321	1	45	0.0	-10.71	349.47	2.76	-7.95
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008322	0	51	0.0	-16.26	395.91	5.49	-10.77
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOCC1CC(O)C1=CC=CC=C1	REAL000000008323	0	48	0.0	-10.47	380.14	3.35	-7.11
COC(=O)CC1=CC=CC(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008324	1	39	0.0	-18.35	333.67	4.80	-13.55
COC(=O)CC1=CC=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008325	0	42	0.0	-19.88	358.56	7.67	-12.21
COC(=O)CC1=CC=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008326	0	39	0.0	-13.31	343.98	4.60	-8.71
NC1=CN=NC(NNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1Cl	REAL000000008329	1	35	0.0	-17.00	318.86	2.41	-14.59
NC1=CN=NC(NNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1Cl	REAL000000008330	1	32	0.0	-12.18	303.92	-0.59	-12.77
CC1=CC=CC(C2CCCN2C(=O)CCCC2=NNN=N2)=N1	REAL000000008331	1	42	0.0	-16.67	341.19	5.63	-11.04
CC1=CC=CC(C2CCCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008332	0	45	0.0	-19.88	362.67	8.00	-11.88
CC1=CC=CC(C2CCCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008333	0	42	0.0	-11.78	348.23	5.62	-6.16
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2(O)CCCCC2C1	REAL000000008334	0	47	0.0	-14.98	349.63	5.52	-9.46
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2(O)CCCCC2C1	REAL000000008335	0	44	0.0	-8.68	332.92	3.32	-5.36
CC1=CC=CC(OCC(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000008336	1	44	0.0	-15.70	366.31	1.45	-14.25
CC1=CC=CC(OCC(O)CNC(=O)CCC2=NNN=N2)=C1	REAL000000008337	1	41	0.0	-12.36	344.81	0.67	-11.69
CC1=CC=CC(OCC(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008338	0	47	0.0	-16.99	391.17	4.36	-12.63
CC1=CC=CC(OCC(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008339	0	44	0.0	-11.83	376.61	1.29	-10.53
O=C(CCC1=NNN=N1)NC1=NNC(C2=CC(Br)=CC=C2Cl)=C1	REAL000000008340	1	34	0.0	-10.82	329.13	4.70	-6.12
O=C(NCC(O)CC1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008341	0	43	0.0	-15.95	360.55	4.66	-11.29
O=C(NCC(O)CC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008342	0	40	0.0	-10.53	345.99	1.60	-8.93
CC1(C2CCN(C(=O)CCCC3=NNN=N3)CC2)OCCO1	REAL000000008343	1	45	0.0	-15.63	343.52	3.84	-11.79
CC1(C2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)OCCO1	REAL000000008344	0	48	0.0	-17.54	368.27	6.36	-11.18
CC1(C2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)OCCO1	REAL000000008345	0	45	0.0	-10.72	351.64	4.04	-6.68
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)CCCC1=NNN=N1	REAL000000008346	1	49	0.0	-15.42	389.66	5.68	-9.73
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)CCC1=NNN=N1	REAL000000008347	1	46	0.0	-10.74	368.21	4.72	-6.03
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008348	0	52	0.0	-18.60	407.54	8.02	-10.59
CC(C)CN(CC(O)C1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008349	0	49	0.0	-10.30	396.69	7.15	-3.16
CC(C)(C)[C@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(N)=O	REAL000000008350	0	42	0.0	-18.82	334.47	2.66	-16.16
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(N)=O	REAL000000008351	0	39	0.0	-12.97	321.78	-0.45	-13.42
CN(CC(O)C1CC1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008352	0	40	0.0	-16.82	322.01	4.49	-12.33
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008353	0	56	0.0	-71.49	430.42	7.91	-63.58
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000008353	1	56	0.0	-71.65	436.40	8.24	-63.40
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008353	1	56	0.0	-71.47	430.37	7.91	-63.56
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000008353	1	56	0.0	-71.63	436.34	8.25	-63.39
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008354	0	53	0.0	-63.42	414.45	7.45	-55.97
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL000000008354	1	53	0.0	-62.97	414.90	7.46	-55.50
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008354	1	53	0.0	-63.41	414.39	7.45	-55.97
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL000000008354	1	53	0.0	-62.96	414.84	7.46	-55.50
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)CCCC2=NNN=N2)=N1	REAL000000008356	1	42	0.0	-14.58	375.84	3.10	-11.48
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)CCC2=NNN=N2)=N1	REAL000000008357	1	39	0.0	-11.18	354.35	2.32	-8.86
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008358	0	42	0.0	-10.48	386.45	2.88	-7.59
CN1CCN(C(=O)CCCC2=NNN=N2)C(CNC(=O)OC(C)(C)C)C1	REAL000000008359	1	55	0.0	-18.96	414.92	1.51	-17.45
CN1CCN(C(=O)CCC2=NNN=N2)C(CNC(=O)OC(C)(C)C)C1	REAL000000008360	1	52	0.0	-14.15	393.48	0.72	-13.42
CSCC1=CC(F)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008361	1	40	0.0	-14.59	350.11	5.53	-9.06
CSCC1=CC(F)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008362	1	37	0.0	-10.78	328.60	4.75	-6.03
CSCC1=CC(F)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008363	0	43	0.0	-15.61	375.65	8.36	-7.26
CSCC1=CC(F)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008364	0	40	0.0	-8.90	359.64	5.23	-3.67
CN1N=CN=C1CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008365	0	38	0.0	-23.01	324.44	5.30	-17.71
O=C(CCCC1=NNN=N1)N1CCC(C2=CC=C(F)C=C2)C1	REAL000000008366	1	40	0.0	-15.91	329.63	6.40	-9.51
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(C2=CC=C(F)C=C2)C1	REAL000000008367	0	43	0.0	-18.70	349.46	8.67	-10.03
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(C2=CC=C(F)C=C2)C1	REAL000000008368	0	40	0.0	-10.91	336.59	6.55	-4.36
CC1=C(C)SC(CCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008369	0	41	0.0	-18.99	354.63	5.55	-13.44
CC1=C(C)SC(CCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008370	0	38	0.0	-11.74	340.10	2.49	-9.25
CCCCCC(C)(C)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008371	0	50	0.0	-14.60	383.86	8.43	-6.18
CCCCCC(C)(C)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008372	0	47	0.0	-7.82	369.31	5.37	-2.45
CC1=CC(F)=CC=C1CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008373	0	42	0.0	-18.04	350.92	7.65	-10.39
CC1=CC(F)=CC=C1CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008374	0	39	0.0	-10.80	336.39	4.57	-6.23
O=C(CCCC1=NNN=N1)NCC1=CN(C2=CC=CC=C2)N=N1	REAL000000008375	1	39	0.0	-18.87	335.43	3.32	-15.55
O=C(NCC1=CN(C2=CC=CC=C2)N=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008376	0	42	0.0	-19.55	360.58	6.16	-13.39
O=C(NCC1=CN(C2=CC=CC=C2)N=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008377	0	39	0.0	-14.81	346.02	3.10	-11.71
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCC2CC2)=C1	REAL000000008378	1	47	0.0	-14.04	385.89	6.03	-8.01
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCC2CC2)=C1	REAL000000008379	1	44	0.0	-10.28	364.39	5.24	-5.04
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OCC2CC2)=C1	REAL000000008380	0	50	0.0	-16.12	411.43	8.84	-7.28
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCC2CC2)=C1	REAL000000008381	0	47	0.0	-10.05	396.49	5.81	-4.24
O=C(CCCC1=NNN=N1)NCC(O)C1=CC2=CC=CC=C2S1	REAL000000008384	1	40	0.0	-16.04	350.54	2.58	-13.45
O=C(CCC1=NNN=N1)NCC(O)C1=CC2=CC=CC=C2S1	REAL000000008385	1	37	0.0	-12.15	329.03	1.80	-10.35
O=C(NCC(O)C1=CC2=CC=CC=C2S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008386	0	43	0.0	-17.64	376.52	5.33	-12.31
O=C(NCC(O)C1=CC2=CC=CC=C2S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008387	0	40	0.0	-11.35	361.57	2.30	-9.06
CC1=CC=NC(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)=C1	REAL000000008390	0	47	0.0	-19.44	370.76	7.15	-12.29
CC1=CC=NC(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=C1	REAL000000008391	0	44	0.0	-11.13	355.99	4.89	-6.24
COC(=O)C(C)(C)C(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008392	1	48	0.0	-20.71	380.07	6.32	-14.39
COC(=O)C(C)(C)C(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008393	1	45	0.0	-13.22	349.24	6.07	-7.15
COC(=O)C(C)(C)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000008394	0	51	0.0	-21.88	405.25	9.17	-12.71
COC(=O)C(C)(C)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000008395	0	48	0.0	-13.09	390.61	6.09	-7.00
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC=C1Br	REAL000000008396	1	41	0.0	-16.38	365.32	1.44	-14.94
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=CC=C1Br	REAL000000008397	1	38	0.0	-13.11	343.52	0.72	-12.39
O=C(CCCC1=NNN=N1)NCCC1=NC2=CC(Cl)=CC=C2S1	REAL000000008398	1	38	0.0	-18.43	352.48	4.20	-14.24
O=C(CCC1=NNN=N1)NCCC1=NC2=CC(Cl)=CC=C2S1	REAL000000008399	1	35	0.0	-14.07	330.98	3.42	-10.65
O=C(NCCC1=NC2=CC(Cl)=CC=C2S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008400	0	41	0.0	-19.84	377.61	7.05	-12.78
O=C(NCCC1=NC2=CC(Cl)=CC=C2S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008401	0	38	0.0	-12.55	363.08	3.98	-8.57
O=C(CCCC1=NNN=N1)N(CC1=CC=CC=C1)CC(O)C1=CC=CS1	REAL000000008402	1	47	0.0	-15.96	397.98	6.31	-9.64
O=C(CCC1=NNN=N1)N(CC1=CC=CC=C1)CC(O)C1=CC=CS1	REAL000000008403	1	44	0.0	-10.78	371.92	5.24	-5.54
CN1N=C(C2CCC2)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008404	0	43	0.0	-18.52	349.22	7.45	-11.07
CN1N=C(C2CCC2)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008405	0	40	0.0	-11.47	334.65	4.39	-7.08
COC(=O)C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008406	1	50	0.0	-20.80	420.89	7.44	-13.35
COC(=O)C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=NNN=N2)=C1	REAL000000008407	1	47	0.0	-16.45	400.22	6.65	-9.79
CC(C)C1C2=CC=CC=C2CCN1C(=O)CCCC1=NNN=N1	REAL000000008408	1	46	0.0	-14.68	349.48	7.79	-6.89
CC(C)C1C2=CC=CC=C2CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008409	0	49	0.0	-15.73	370.61	10.17	-5.56
CC(C)C1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008410	0	46	0.0	-9.45	349.96	8.48	-0.98
O=C(NCC1=CC=C(F)C=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008411	0	35	0.0	-15.41	309.05	4.55	-10.87
CCC1(CC)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008412	0	45	0.0	-16.48	337.95	7.46	-9.02
CCC1(CC)CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008413	0	42	0.0	-9.11	322.56	5.26	-3.85
COC(=O)CCCC1=CSC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000008414	1	41	0.0	-19.07	360.81	4.48	-14.59
COC(=O)CCCC1=CSC(NC(=O)CCC2=NNN=N2)=N1	REAL000000008415	1	38	0.0	-15.45	339.30	3.70	-11.75
COC(=O)CCCC1=CSC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008416	0	44	0.0	-19.21	385.94	7.33	-11.88
COC(=O)CCCC1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008417	0	41	0.0	-14.71	371.38	4.26	-10.44
CC1=C(C2=CC=C(Cl)C=C2)N=C(C(C)NC(=O)CCCC2=NNN=N2)S1	REAL000000008418	1	45	0.0	-16.71	399.72	6.13	-10.58
CC1=C(C2=CC=C(Cl)C=C2)N=C(C(C)NC(=O)CCC2=NNN=N2)S1	REAL000000008419	1	42	0.0	-12.13	379.63	5.37	-6.76
O=C(CCCC1=NNN=N1)NC1=NC2=CC(F)=C(F)C=C2N1	REAL000000008420	1	33	0.0	-14.71	294.86	4.95	-9.76
O=C(NC1=NC2=CC(F)=C(F)C=C2N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008421	0	36	0.0	-13.58	319.99	7.79	-5.78
O=C(NC1=NC2=CC(F)=C(F)C=C2N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008422	0	33	0.0	-8.93	305.43	4.73	-4.20
COCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008423	1	47	0.0	-16.57	387.85	3.69	-12.88
COCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008424	1	44	0.0	-12.57	366.35	2.92	-9.65
COCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008425	0	50	0.0	-18.71	412.96	6.55	-12.16
COCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008426	0	47	0.0	-12.23	398.44	3.48	-8.75
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NNC(=O)CCCC1=NNN=N1)C=N2	REAL000000008427	1	46	0.0	-25.87	393.82	3.10	-22.77
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NNC(=O)CCC1=NNN=N1)C=N2	REAL000000008428	1	43	0.0	-23.30	372.93	2.31	-20.99
O=C(CCC1=NNN=N1)NNC(=O)CN1CCN(C(=O)C2=CC=CC=C2)CC1	REAL000000008429	1	50	0.0	-17.58	405.28	1.19	-16.39
O=C(NNC(=O)C1=NNC(=O)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008430	0	36	0.0	-17.63	322.32	0.55	-17.08
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(C(F)F)CC1	REAL000000008433	0	39	0.0	-19.51	315.39	6.93	-12.57
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(C(F)F)CC1	REAL000000008434	0	36	0.0	-9.67	300.67	4.67	-5.00
O=C(CCCC1=NNN=N1)NC1=CC=C(Br)N=C1	REAL000000008435	1	29	0.0	-15.21	272.82	2.12	-13.08
O=C(NC1=CC=C(Br)N=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008436	0	32	0.0	-15.51	298.49	4.99	-10.52
O=C(NC1=CC=C(Br)N=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008437	0	29	0.0	-9.19	283.42	1.91	-7.28
O=C(CCC1=NNN=N1)NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O	REAL000000008439	1	40	0.0	-22.99	348.42	6.18	-16.81
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL000000008441	0	44	0.0	-67.93	350.30	5.81	-62.12
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL000000008441	1	44	0.0	-67.91	350.25	5.81	-62.10
O=C(CCCC1=NNN=N1)NC(C1=CC=CC=C1F)C1CCCC1	REAL000000008444	1	46	0.0	-15.19	356.93	6.73	-8.46
O=C(CCC1=NNN=N1)NC(C1=CC=CC=C1F)C1CCCC1	REAL000000008445	1	43	0.0	-10.78	335.43	5.94	-4.84
O=C(NC(C1=CC=CC=C1F)C1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008446	0	49	0.0	-16.82	382.03	9.58	-7.24
O=C(NC(C1=CC=CC=C1F)C1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008447	0	46	0.0	-10.20	371.92	7.13	-3.07
O=C(NC1CCC(F)(F)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008448	0	36	0.0	-18.16	304.87	5.63	-12.53
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN2C(=O)OCC2C1	REAL000000008449	0	39	0.0	-19.74	316.36	4.46	-15.27
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN2C(=O)OCC2C1	REAL000000008450	0	36	0.0	-15.28	300.08	2.25	-13.03
COC(=O)C(NC(=O)CCCC1=NNN=N1)C1CCCCC1	REAL000000008451	1	45	0.0	-15.75	354.01	5.02	-10.73
COC(=O)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCCC1	REAL000000008452	0	48	0.0	-18.23	379.13	7.87	-10.36
COC(=O)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCCC1	REAL000000008453	0	45	0.0	-11.64	361.57	4.58	-7.06
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)CCCC1=NNN=N1	REAL000000008454	1	40	0.0	-13.08	340.80	7.22	-5.86
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)CCC1=NNN=N1	REAL000000008455	1	37	0.0	-9.61	326.91	6.64	-2.97
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008456	0	40	0.0	-7.86	348.74	7.41	-0.44
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)CCCC1=NNN=N1	REAL000000008457	1	41	0.0	-22.11	357.52	0.32	-21.78
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)CCC1=NNN=N1	REAL000000008458	1	38	0.0	-17.73	336.04	-0.46	-18.20
CS(=O)(=O)NC1=CC=CC(F)=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008459	0	41	0.0	-15.87	368.89	0.08	-15.79
O=C(CCCC1=NNN=N1)NC1=CC=C(Cl)C(Br)=C1	REAL000000008460	1	30	0.0	-13.50	292.55	4.46	-9.04
O=C(CCC1=NNN=N1)NC1=CC=C(Cl)C(Br)=C1	REAL000000008461	1	27	0.0	-12.05	271.35	3.67	-8.39
O=C(NC1=CC=C(Cl)C(Br)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008462	0	33	0.0	-17.31	317.73	7.31	-10.00
O=C(NC1=CC=C(Cl)C(Br)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008463	0	30	0.0	-9.93	303.41	4.23	-5.70
COC1=CC=C(F)C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008464	0	37	0.0	-16.65	317.48	5.67	-10.98
COC1=CC=C(F)C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008465	0	34	0.0	-10.71	302.45	2.59	-8.12
O=C(CCCC1=NNN=N1)NC1=NC=CN1CC1=CC=C(Br)C=C1	REAL000000008466	1	40	0.0	-24.43	359.38	9.10	-15.33
O=C(CCC1=NNN=N1)NC1=NC=CN1CC1=CC=C(Br)C=C1	REAL000000008467	1	37	0.0	-19.32	337.87	8.32	-11.00
CN1C=C(NC(=O)CCCC2=NNN=N2)C=C(Br)C1=O	REAL000000008468	1	33	0.0	-24.37	305.32	2.78	-21.58
CN1C=C(NC(=O)CCC2=NNN=N2)C=C(Br)C1=O	REAL000000008469	1	30	0.0	-20.49	283.34	2.01	-18.49
CN1C=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C(Br)C1=O	REAL000000008470	0	36	0.0	-25.25	330.27	5.63	-19.61
CN1C=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C(Br)C1=O	REAL000000008471	0	33	0.0	-17.38	315.93	2.57	-14.81
CC(NC(=O)CCCC1=NNN=N1)C1=CC=CC(N2CCCC2)=C1	REAL000000008472	1	48	0.0	-14.13	377.87	4.86	-9.27
CC(NC(=O)CCC1=NNN=N1)C1=CC=CC(N2CCCC2)=C1	REAL000000008473	1	45	0.0	-10.41	356.37	4.07	-6.34
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC(N2CCCC2)=C1	REAL000000008474	0	51	0.0	-15.83	403.35	7.68	-8.14
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(N2CCCC2)=C1	REAL000000008475	0	48	0.0	-9.02	388.47	4.65	-4.37
O=C(NOCC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008476	0	30	0.0	-21.07	280.70	4.87	-16.20
O=C(CCCC1=NNN=N1)NC1(C2=CC=CC(Cl)=C2)CCCC1	REAL000000008477	1	43	0.0	-14.03	350.24	6.50	-7.52
O=C(CCC1=NNN=N1)NC1(C2=CC=CC(Cl)=C2)CCCC1	REAL000000008478	1	40	0.0	-10.05	328.71	5.72	-4.33
O=C(NC1(C2=CC=CC(Cl)=C2)CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008479	0	46	0.0	-15.26	375.58	9.34	-5.92
O=C(NC1(C2=CC=CC(Cl)=C2)CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008480	0	43	0.0	-8.78	360.82	6.29	-2.48
CNS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=NNN=N2)=C1C	REAL000000008481	1	41	0.0	-20.88	344.66	0.56	-20.31
CNS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NNN=N2)=C1C	REAL000000008482	1	38	0.0	-16.55	323.21	-0.26	-16.81
CNS(=O)(=O)C1=CC=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1C	REAL000000008483	0	44	0.0	-21.63	370.47	3.43	-18.20
CNS(=O)(=O)C1=CC=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1C	REAL000000008484	0	41	0.0	-15.03	356.10	0.37	-14.65
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(C1)CCCCCC2	REAL000000008488	0	50	0.0	-15.19	358.62	7.98	-7.22
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(C1)CCCCCC2	REAL000000008489	0	47	0.0	-8.51	343.13	5.81	-2.70
CC1N(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCOC1(C)C	REAL000000008490	0	43	0.0	-14.88	327.66	5.80	-9.08
CC1N(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCOC1(C)C	REAL000000008491	0	40	0.0	-9.02	311.00	3.59	-5.43
O=C(CCCC1=NNN=N1)N1CCC(N2CCCCC2=O)CC1	REAL000000008492	1	47	0.0	-19.72	353.86	5.08	-14.63
O=C(CCC1=NNN=N1)N1CCC(N2CCCCC2=O)CC1	REAL000000008493	1	44	0.0	-15.10	332.25	4.30	-10.80
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(N2CCCCC2=O)CC1	REAL000000008494	0	50	0.0	-24.13	377.22	7.56	-16.57
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(N2CCCCC2=O)CC1	REAL000000008495	0	47	0.0	-15.67	361.50	5.32	-10.35
CC(CC1=CC=C(F)C(Br)=C1)NC(=O)CCCC1=NNN=N1	REAL000000008496	1	39	0.0	-16.12	349.24	5.94	-10.18
CC(CC1=CC=C(F)C(Br)=C1)NC(=O)CCC1=NNN=N1	REAL000000008497	1	36	0.0	-14.21	327.80	5.16	-9.05
O=C(CCCC1=NNN=N1)NCCC(=O)OCC1=CC=CC=C1	REAL000000008498	1	42	0.0	-20.38	359.84	5.21	-15.17
O=C(CCC1=NNN=N1)NCCC(=O)OCC1=CC=CC=C1	REAL000000008499	1	39	0.0	-15.83	338.34	4.43	-11.40
O=C(CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OCC1=CC=CC=C1	REAL000000008500	0	45	0.0	-22.00	384.99	8.06	-13.95
O=C(CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OCC1=CC=CC=C1	REAL000000008501	0	42	0.0	-13.91	370.44	5.00	-8.92
CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1C1=NC=CO1	REAL000000008502	1	39	0.0	-22.94	331.23	2.31	-20.63
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C1=NC=CO1	REAL000000008503	0	42	0.0	-25.01	356.90	5.16	-19.84
CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C1=NC=CO1	REAL000000008504	0	39	0.0	-14.25	339.00	3.21	-11.04
O=C(CCCC1=NNN=N1)NCCC1=CC=C(C2=CC=CC=C2)C=C1	REAL000000008505	1	46	0.0	-16.91	378.24	7.69	-9.22
O=C(CCC1=NNN=N1)NCCC1=CC=C(C2=CC=CC=C2)C=C1	REAL000000008506	1	43	0.0	-12.79	356.74	6.91	-5.88
O=C(NCCC1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008507	0	49	0.0	-18.65	403.39	10.54	-8.11
O=C(NCCC1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008508	0	46	0.0	-11.45	388.83	7.48	-3.98
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)N=C2)CC1	REAL000000008509	0	52	0.0	-78.99	396.01	5.29	-73.70
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)N=C2)CC1	REAL000000008509	1	52	0.0	-78.99	395.95	5.29	-73.70
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)N=C2)CC1	REAL000000008510	0	49	0.0	-71.38	374.51	4.50	-66.87
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)N=C2)CC1	REAL000000008510	1	49	0.0	-71.37	374.46	4.51	-66.87
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008512	0	57	0.0	-73.27	412.19	8.57	-64.71
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000008512	1	57	0.0	-73.29	412.21	8.57	-64.72
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008512	1	57	0.0	-73.27	412.13	8.57	-64.70
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000008512	1	57	0.0	-73.26	412.15	8.57	-64.70
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000008513	0	54	0.0	-62.65	390.66	7.79	-54.86
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL000000008513	1	54	0.0	-62.95	390.65	7.78	-55.17
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000008513	1	54	0.0	-62.65	390.60	7.78	-54.87
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL000000008513	1	54	0.0	-62.95	390.59	7.77	-55.18
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCC2CCOC2)=C1	REAL000000008516	1	51	0.0	-15.47	410.40	4.58	-10.89
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCC2CCOC2)=C1	REAL000000008517	1	48	0.0	-11.97	388.90	3.80	-8.17
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCC2CCOC2)=C1	REAL000000008518	0	51	0.0	-11.57	420.99	4.36	-7.21
COCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008519	1	50	0.0	-15.71	409.38	4.29	-11.41
COCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008520	1	47	0.0	-12.02	387.89	3.51	-8.51
COCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008521	0	53	0.0	-18.07	434.51	7.15	-10.92
COCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008522	0	50	0.0	-11.73	419.99	4.08	-7.65
CCNS(=O)(=O)C1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008523	1	44	0.0	-18.77	380.17	0.50	-18.28
CCNS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1	REAL000000008524	1	41	0.0	-15.42	358.66	-0.28	-15.70
CCNS(=O)(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008525	0	44	0.0	-14.58	390.76	0.28	-14.29
CCOC1=CC(Br)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000008526	1	37	0.0	-12.66	327.58	4.36	-8.31
CCOC1=CC(Br)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000008527	1	34	0.0	-8.96	306.08	3.57	-5.39
CCOC1=CC(Br)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008528	0	37	0.0	-8.24	338.16	4.14	-4.10
O=C(CC1COCCN1C(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008529	1	46	0.0	-14.97	363.34	5.37	-9.60
O=C(CC1COCCN1C(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008530	1	43	0.0	-14.04	341.43	5.59	-8.45
O=C(CC1COCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000008531	0	49	0.0	-18.47	386.34	8.77	-9.70
O=C(CC1COCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000008532	0	46	0.0	-14.20	370.09	6.64	-7.55
CC(CC(O)C1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000008533	1	43	0.0	-16.44	352.27	2.96	-13.49
CC(CC(O)C1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008534	0	46	0.0	-18.95	374.95	6.41	-12.54
CC(CC(O)C1=CC=CC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008535	0	43	0.0	-11.33	360.40	3.35	-7.98
CC(CC(=O)C1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000008536	1	41	0.0	-20.30	343.60	5.24	-15.07
CC(CC(=O)C1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008537	0	44	0.0	-23.68	368.75	8.09	-15.59
CC(CC(=O)C1=CC=CC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008538	0	41	0.0	-16.34	354.20	5.03	-11.32
CC1=CC(OC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C2)=NN1	REAL000000008539	1	41	0.0	-21.05	343.99	2.51	-18.54
CC1=CC(OC2=CC=C(NC(=O)CCC3=NNN=N3)C=C2)=NN1	REAL000000008540	1	38	0.0	-16.68	322.54	1.74	-14.94
CC1=CC(OC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2)=NN1	REAL000000008541	0	44	0.0	-20.49	368.24	5.45	-15.04
CC1=CC(OC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C2)=NN1	REAL000000008542	0	41	0.0	-13.69	354.59	2.30	-11.38
O=C(CC1CCCCCN1C(=O)CCCC1=NNN=N1)C1=CC=CO1	REAL000000008543	1	48	0.0	-14.30	369.28	7.24	-7.06
O=C(CC1CCCCCN1C(=O)CCC1=NNN=N1)C1=CC=CO1	REAL000000008544	1	45	0.0	-10.87	349.36	6.70	-4.17
O=C(CC1CCCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CO1	REAL000000008545	0	51	0.0	-16.55	393.81	9.68	-6.88
O=C(CC1CCCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CO1	REAL000000008546	0	48	0.0	-11.87	376.55	7.55	-4.32
O=C(CCCC1=NNN=N1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008547	1	47	0.0	-15.17	361.60	8.17	-7.01
O=C(CCC1=NNN=N1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008548	1	44	0.0	-10.43	337.41	7.97	-2.46
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008549	0	50	0.0	-19.26	385.12	10.45	-8.81
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC2CCCCC21C1=CC=CC=C1	REAL000000008550	0	47	0.0	-11.44	371.40	8.07	-3.37
O=C(CCCC1=NNN=N1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	REAL000000008551	1	41	0.0	-16.72	359.55	0.21	-16.51
O=C(CCC1=NNN=N1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	REAL000000008552	1	38	0.0	-13.42	338.05	-0.57	-13.99
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCC(C)(C)CC1	REAL000000008553	0	48	0.0	-10.50	355.35	8.48	-2.02
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCC(C)(C)CC1	REAL000000008554	0	45	0.0	-8.59	340.54	6.27	-2.32
O=C(CCCC1=NNN=N1)NC1=CC=C2CCS(=O)(=O)C2=C1	REAL000000008555	1	37	0.0	-30.45	320.98	1.27	-29.18
O=C(CCC1=NNN=N1)NC1=CC=C2CCS(=O)(=O)C2=C1	REAL000000008556	1	34	0.0	-25.11	299.48	0.49	-24.62
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008557	0	40	0.0	-32.51	346.76	4.06	-28.44
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008558	0	37	0.0	-23.95	331.57	1.05	-22.89
CC1=COC(C2=CC(NC(=O)CCCC3=NNN=N3)=CC=C2C)=N1	REAL000000008559	1	42	0.0	-23.01	350.05	3.17	-19.84
CC1=COC(C2=CC(NC(=O)CCC3=NNN=N3)=CC=C2C)=N1	REAL000000008560	1	39	0.0	-17.96	328.55	2.39	-15.57
CC1=COC(C2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2C)=N1	REAL000000008561	0	45	0.0	-24.95	375.97	5.94	-19.01
CC1=COC(C2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2C)=N1	REAL000000008562	0	42	0.0	-16.47	360.63	2.95	-13.52
COC1=CC(NC2CCN(C(=O)CCCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000008563	1	53	0.0	-16.59	411.96	4.10	-12.49
COC1=CC(NC2CCN(C(=O)CCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000008564	1	50	0.0	-12.53	390.34	3.31	-9.22
CCCCN1C=CN=C1C1=CC=CC(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008565	1	49	0.0	-23.78	393.32	7.59	-16.19
CCCCN1C=CN=C1C1=CC=CC(NC(=O)CCC2=NNN=N2)=C1	REAL000000008566	1	46	0.0	-19.17	371.82	6.79	-12.38
CCCCN1C=CN=C1C1=CC=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008567	0	49	0.0	-18.20	403.97	7.35	-10.85
CCC1=CC(Br)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000008568	1	36	0.0	-13.72	315.75	5.62	-8.10
CCC1=CC(Br)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000008569	1	33	0.0	-9.64	294.26	4.85	-4.79
CCC1=CC(Br)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008570	0	39	0.0	-14.65	342.06	8.54	-6.11
CCC1=CC(Br)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008571	0	36	0.0	-8.10	326.99	5.46	-2.64
O=C(CCCC1=NNN=N1)NC(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL000000008572	1	55	0.0	-16.11	447.00	10.85	-5.26
O=C(CCC1=NNN=N1)NC(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL000000008573	1	52	0.0	-11.89	425.50	10.07	-1.82
CC(C)OC1(CNC(=O)CCCC2=NNN=N2)CCCCC1	REAL000000008574	1	49	0.0	-11.63	363.20	4.77	-6.86
CC(C)OC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCCC1	REAL000000008575	0	52	0.0	-13.10	389.26	7.88	-5.22
CC(C)OC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCCC1	REAL000000008576	0	49	0.0	-7.60	375.08	4.57	-3.03
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC(C)C)=C1	REAL000000008577	1	46	0.0	-14.16	372.15	5.06	-9.10
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC(C)C)=C1	REAL000000008578	1	43	0.0	-10.17	350.66	4.28	-5.89
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OC(C)C)=C1	REAL000000008579	0	49	0.0	-16.12	397.78	7.87	-8.25
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC(C)C)=C1	REAL000000008580	0	46	0.0	-10.02	382.74	4.84	-5.17
N#CCC1=CC=NC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008581	0	36	0.0	-26.68	320.37	7.11	-19.58
N#CCC1=CC=NC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008582	0	33	0.0	-19.17	305.62	4.00	-15.17
O=C(CCCC1=NNN=N1)NCC1(N2CCOCC2)CCCOC1	REAL000000008583	1	50	0.0	-15.01	365.86	-0.37	-15.38
O=C(CCC1=NNN=N1)NCC1(N2CCOCC2)CCCOC1	REAL000000008584	1	47	0.0	-10.94	344.36	-1.16	-12.10
O=C(NCC1(N2CCOCC2)CCCOC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008585	0	53	0.0	-16.84	391.01	2.47	-14.36
O=C(NCC1(N2CCOCC2)CCCOC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008586	0	50	0.0	-10.02	376.46	-0.59	-10.61
O=C(CCCC1=NNN=N1)N1CCC(OC2=CC=CC=N2)C1	REAL000000008587	1	40	0.0	-16.62	333.06	2.98	-13.64
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(OC2=CC=CC=N2)C1	REAL000000008588	0	43	0.0	-15.52	352.51	5.35	-10.17
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(OC2=CC=CC=N2)C1	REAL000000008589	0	40	0.0	-12.71	339.90	3.15	-9.57
O=C(CCCC1=NNN=N1)NCC1=CSC(C2=CC=CO2)=N1	REAL000000008590	1	36	0.0	-17.77	329.89	2.31	-15.46
O=C(CCC1=NNN=N1)NCC1=CSC(C2=CC=CO2)=N1	REAL000000008591	1	33	0.0	-13.92	308.39	1.53	-12.39
O=C(NCC1=CSC(C2=CC=CO2)=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008592	0	39	0.0	-19.36	355.44	5.12	-14.23
O=C(NCC1=CSC(C2=CC=CO2)=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008593	0	36	0.0	-13.72	340.48	2.09	-11.63
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=NNN=N2)=C1	REAL000000008594	1	47	0.0	-19.38	394.20	1.87	-17.50
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NNN=N2)=C1	REAL000000008595	1	44	0.0	-15.38	372.70	1.10	-14.28
CCOC1CC(N(C)C(=O)CCCC2=NNN=N2)C12CCC2	REAL000000008596	1	47	0.0	-17.08	359.89	5.33	-11.75
CCOC1CC(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C12CCC2	REAL000000008597	0	50	0.0	-19.76	381.14	7.76	-12.00
CCOC1CC(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C12CCC2	REAL000000008598	0	47	0.0	-9.47	363.22	6.16	-3.31
COC(CNC(=O)CCCC1=NNN=N1)C1=CC=CC=C1Cl	REAL000000008599	1	40	0.0	-14.96	345.74	3.97	-10.99
COC(CNC(=O)CCC1=NNN=N1)C1=CC=CC=C1Cl	REAL000000008600	1	37	0.0	-10.84	324.24	3.19	-7.65
COC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1Cl	REAL000000008601	0	43	0.0	-16.28	373.86	6.75	-9.53
COC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1Cl	REAL000000008602	0	40	0.0	-9.72	359.33	3.68	-6.04
CCOC1=CC=C(NC(=O)CN2CCN(C(=O)CCC3=NNN=N3)CC2)C=C1	REAL000000008603	1	53	0.0	-15.94	417.51	2.89	-13.05
O=C(CCCC1=NNN=N1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008604	1	45	0.0	-14.54	369.71	5.45	-9.09
O=C(CCC1=NNN=N1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008605	1	42	0.0	-9.99	348.22	4.66	-5.33
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008606	0	48	0.0	-15.81	391.36	7.63	-8.18
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(CC2=CC=CC=C2Cl)CC1	REAL000000008607	0	45	0.0	-9.54	377.15	5.63	-3.90
CC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008608	0	43	0.0	-16.23	358.05	4.71	-11.52
CC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008609	0	40	0.0	-10.23	344.00	1.55	-8.68
O=C(CCCC1=NNN=N1)NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL000000008610	1	43	0.0	-15.15	379.00	7.45	-7.70
O=C(CCC1=NNN=N1)NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL000000008611	1	40	0.0	-11.38	357.61	6.67	-4.71
O=C(CCCC1=NNN=N1)NC(C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL000000008612	1	43	0.0	-14.47	363.86	7.60	-6.87
O=C(CCC1=NNN=N1)NC(C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL000000008613	1	40	0.0	-11.01	342.35	6.82	-4.19
O=C(NC(C1=CC=CC=C1)C1=CC=CC(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008614	0	46	0.0	-16.12	389.40	10.42	-5.70
O=C(NC(C1=CC=CC=C1)C1=CC=CC(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008615	0	43	0.0	-10.34	374.48	7.39	-2.94
O=C(CCC1=NNN=N1)NC1=CC=CN(CC2=CC=CC=C2)C1=O	REAL000000008617	1	40	0.0	-21.86	342.08	6.14	-15.72
O=C(CCCC1=NNN=N1)NC1CCN(C2=C(F)C=CC=C2F)C1=O	REAL000000008620	1	41	0.0	-27.50	358.64	4.47	-23.04
O=C(CCC1=NNN=N1)NC1CCN(C2=C(F)C=CC=C2F)C1=O	REAL000000008621	1	38	0.0	-22.42	337.12	3.68	-18.74
O=C(NC1CCN(C2=C(F)C=CC=C2F)C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008622	0	44	0.0	-29.65	383.79	7.32	-22.33
O=C(NC1CCN(C2=C(F)C=CC=C2F)C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008623	0	41	0.0	-21.42	369.21	4.24	-17.18
CC(C)[C@@H](NC(=O)CCCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000008624	1	47	0.0	-11.85	364.99	5.10	-6.76
CC(C)[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000008625	0	50	0.0	-12.89	390.14	7.94	-4.94
CC(C)[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000008626	0	47	0.0	-8.13	370.57	4.48	-3.65
CC[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000008627	0	47	0.0	-12.53	370.34	6.94	-5.59
CC[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000008628	0	44	0.0	-8.37	355.79	3.87	-4.50
COC1=CC(OC)=C(NC(=O)CCCC2=NNN=N2)C=C1F	REAL000000008629	1	38	0.0	-18.07	320.95	2.18	-15.89
COC1=CC(OC)=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000008630	0	41	0.0	-19.29	344.66	5.05	-14.25
COC1=CC(OC)=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000008631	0	38	0.0	-12.72	330.73	1.97	-10.75
CC(C)CCN1C=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008632	0	45	0.0	-16.75	365.68	7.89	-8.86
CC(C)CCN1C=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000008633	0	42	0.0	-11.66	351.14	4.82	-6.84
CC(C)(C)C1CCC(CNC(=O)CCCC2=NNN=N2)CC1	REAL000000008634	1	51	0.0	-12.83	373.41	5.94	-6.88
CC(C)(C)C1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008635	0	54	0.0	-14.76	391.52	8.53	-6.24
CC(C)(C)C1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008636	0	51	0.0	-7.82	376.99	5.46	-2.36
COC(=O)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008637	0	42	0.0	-20.67	338.32	6.75	-13.92
COC(=O)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008638	0	39	0.0	-12.84	322.60	4.51	-8.34
CCOC(=O)C(C)(C)N1C=C(NC(=O)CCCC2=NNN=N2)C=N1	REAL000000008639	1	45	0.0	-17.67	373.16	4.04	-13.63
CCOC(=O)C(C)(C)N1C=C(NC(=O)CCC2=NNN=N2)C=N1	REAL000000008640	1	42	0.0	-16.31	352.59	3.40	-12.91
CCOC(=O)C(C)(C)N1C=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=N1	REAL000000008641	0	48	0.0	-18.94	398.30	6.88	-12.05
CCOC(=O)C(C)(C)N1C=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=N1	REAL000000008642	0	45	0.0	-12.47	383.78	3.82	-8.65
CN(C)C1=NC2=CC(NC(=O)CCCC3=NNN=N3)=CC=C2O1	REAL000000008643	1	40	0.0	-23.83	336.70	1.84	-21.99
CN(C)C1=NC2=CC(NC(=O)CCC3=NNN=N3)=CC=C2O1	REAL000000008644	1	37	0.0	-14.74	315.21	1.06	-13.68
CN(C)C1=NC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2O1	REAL000000008645	0	43	0.0	-24.89	362.00	4.75	-20.13
CN(C)C1=NC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2O1	REAL000000008646	0	40	0.0	-16.84	347.32	1.63	-15.21
COC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=C1	REAL000000008647	0	43	0.0	-15.24	354.68	6.40	-8.84
COC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)=C1	REAL000000008648	0	40	0.0	-9.57	339.74	3.38	-6.19
O=C(CCCC1=NNN=N1)N1CCCC1C1=CC=CC=C1Br	REAL000000008649	1	40	0.0	-15.37	339.80	7.44	-7.92
O=C(CCC1=NNN=N1)N1CCCC1C1=CC=CC=C1Br	REAL000000008650	1	37	0.0	-11.19	319.21	6.72	-4.47
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1C1=CC=CC=C1Br	REAL000000008651	0	40	0.0	-10.42	347.67	7.72	-2.70
CC1=CC=CC(C)=C1CCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008652	0	45	0.0	-16.98	362.25	8.12	-8.86
CC1=CC=CC(C)=C1CCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008653	0	42	0.0	-9.80	347.69	5.06	-4.74
COC(=O)C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008654	1	48	0.0	-12.61	398.32	5.63	-6.98
COC1=CC(OC)=C(OC)C=C1NC(=O)CCCC1=NNN=N1	REAL000000008655	1	42	0.0	-17.41	343.95	2.03	-15.39
COC1=CC(OC)=C(OC)C=C1NC(=O)CCC1=NNN=N1	REAL000000008656	1	39	0.0	-13.58	322.46	1.25	-12.33
COC1=CC(OC)=C(OC)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008657	0	45	0.0	-18.69	370.45	4.79	-13.91
COC1=CC(OC)=C(OC)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008658	0	42	0.0	-12.74	353.73	1.81	-10.93
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(CCCC2)C1	REAL000000008659	0	44	0.0	-14.73	336.80	6.30	-8.43
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(CCCC2)C1	REAL000000008660	0	41	0.0	-9.24	320.36	4.26	-4.98
O=C(NC1CCCC2=CNN=C21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008661	0	40	0.0	-21.47	328.14	4.54	-16.93
O=C(NC1CCCC2=C1NN=C2)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008661	1	40	0.0	-17.20	326.11	4.55	-12.65
O=C(NC1CCCC2=CNN=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008662	0	37	0.0	-14.06	313.63	1.48	-12.59
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCC(F)(F)F)=C1	REAL000000008663	1	43	0.0	-16.06	373.78	4.88	-11.18
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCC(F)(F)F)=C1	REAL000000008664	1	40	0.0	-12.46	352.28	4.10	-8.36
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCC(F)(F)F)=C1	REAL000000008665	0	43	0.0	-12.11	384.39	4.66	-7.44
C[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000008666	0	44	0.0	-13.27	356.71	6.32	-6.95
C[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000008667	0	41	0.0	-8.81	342.15	3.26	-5.55
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCCC2=NNN=N2)C1	REAL000000008668	1	47	0.0	-16.36	371.21	2.70	-13.66
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCC2=NNN=N2)C1	REAL000000008669	1	44	0.0	-12.13	349.73	1.92	-10.20
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008670	0	50	0.0	-23.60	391.90	5.06	-18.54
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008671	0	47	0.0	-14.05	378.76	2.96	-11.09
CC1=CC=CC(C)=C1OCC(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008672	1	53	0.0	-14.23	430.60	8.83	-5.40
CC1=CC=CC(C)=C1OCC(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008673	1	50	0.0	-10.39	409.15	8.04	-2.35
COC1=CC=C2CC(C3CCCCC3)N(C(=O)CCCC3=NNN=N3)CC2=C1	REAL000000008674	1	57	0.0	-12.28	418.20	8.57	-3.71
COC1=CC=C2CC(C3CCCCC3)N(C(=O)CCC3=NNN=N3)CC2=C1	REAL000000008675	1	54	0.0	-8.73	396.57	7.86	-0.86
O=C(CCCC1=NNN=N1)NC1CCN(C2=NC=CC=C2F)C1	REAL000000008676	1	41	0.0	-16.45	337.27	2.89	-13.56
O=C(CCC1=NNN=N1)NC1CCN(C2=NC=CC=C2F)C1	REAL000000008677	1	38	0.0	-12.52	315.72	2.11	-10.41
O=C(NC1CCN(C2=NC=CC=C2F)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008678	0	44	0.0	-16.88	362.71	5.73	-11.16
O=C(NC1CCN(C2=NC=CC=C2F)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008679	0	41	0.0	-11.32	347.90	2.68	-8.65
O=C(CCCC1=NNN=N1)N1CCCC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL000000008682	1	50	0.0	-20.60	407.15	5.50	-15.10
O=C(CCC1=NNN=N1)N1CCCC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL000000008683	1	47	0.0	-18.48	385.65	4.71	-13.77
CC(C)(NC(=O)CCCC1=NNN=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008684	1	45	0.0	-15.78	367.15	4.64	-11.14
CC(C)(NC(=O)CCC1=NNN=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008685	1	42	0.0	-13.32	345.66	3.86	-9.47
CC(C)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008686	0	48	0.0	-17.37	392.30	7.49	-9.88
CC(C)(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CN(C2=CC=CC=C2)N=N1	REAL000000008687	0	45	0.0	-14.33	377.74	4.42	-9.91
CN1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)(C)C1=O	REAL000000008688	0	43	0.0	-19.88	333.79	5.37	-14.51
CN1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)(C)C1=O	REAL000000008689	0	40	0.0	-12.80	317.31	3.12	-9.68
CCCCCCCCCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008690	0	53	0.0	-15.02	419.75	9.59	-5.43
CCCCCCCCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008691	0	50	0.0	-8.09	405.19	6.53	-1.56
O=C(CCCC1=NNN=N1)NCCS(=O)(=O)CC1CC1	REAL000000008692	1	39	0.0	-27.45	339.30	0.49	-26.97
O=C(NCCS(=O)(=O)CC1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008693	0	42	0.0	-29.36	364.46	3.35	-26.01
O=C(NCCS(=O)(=O)CC1CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008694	0	39	0.0	-20.79	349.90	0.27	-20.52
CC1=NC(S(=O)(=O)N2CCN(C(=O)CCCC3=NNN=N3)CC2)=CN1C	REAL000000008695	1	48	0.0	-24.29	396.24	2.23	-22.06
CC1=NC(S(=O)(=O)N2CCN(C(=O)CCC3=NNN=N3)CC2)=CN1C	REAL000000008696	1	45	0.0	-20.48	374.74	1.46	-19.02
CC(C)C1=CC=C(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008697	0	45	0.0	-16.22	352.40	9.19	-7.02
CC(C)C1=CC=C(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008698	0	42	0.0	-9.36	336.80	7.04	-2.32
CC1=CC=C2OCC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C2=C1	REAL000000008699	0	41	0.0	-14.07	342.85	6.21	-7.86
CC1=CC=C2OCC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C2=C1	REAL000000008700	0	38	0.0	-8.97	328.29	3.15	-5.82
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC2=CC=CC=C2)=C1	REAL000000008701	1	47	0.0	-14.96	390.69	6.94	-8.02
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC2=CC=CC=C2)=C1	REAL000000008702	1	44	0.0	-11.46	369.19	6.16	-5.30
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC2=CC=CC=C2)=C1	REAL000000008703	0	47	0.0	-11.28	403.87	6.86	-4.42
CC(C)(C)OC(=O)NC1=CC=C(CCNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008704	1	53	0.0	-19.07	426.10	4.50	-14.56
CC(C)(C)OC(=O)NC1=CC=C(CCNC(=O)CCC2=NNN=N2)C=C1	REAL000000008705	1	50	0.0	-14.96	404.60	3.72	-11.24
CC(C)(CO)CCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008706	0	45	0.0	-16.79	355.34	3.41	-13.38
CC(C)(CO)CCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008707	0	42	0.0	-10.12	340.78	0.34	-9.78
O=C(CCCC1=NNN=N1)NCC1=CC=C(OCCO)C=C1	REAL000000008708	1	41	0.0	-16.96	345.25	0.61	-16.35
O=C(NCC1=CC=C(OCCO)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008709	0	44	0.0	-18.38	370.40	3.47	-14.91
O=C(NCC1=CC=C(OCCO)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008710	0	41	0.0	-12.51	355.85	0.40	-12.11
CC(C)(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008714	0	42	0.0	-17.57	330.79	2.75	-14.81
O=C(NCC1(CO)CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008715	0	43	0.0	-9.76	332.44	1.58	-8.18
O=C(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)NC1=CC=CC=N1	REAL000000008716	0	39	0.0	-19.63	336.99	4.44	-15.19
O=C(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)NC1=CC=CC=N1	REAL000000008717	0	36	0.0	-16.50	322.26	1.33	-15.17
CCCC(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008718	0	45	0.0	-17.66	352.98	3.40	-14.25
CCCC(CCO)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008719	0	42	0.0	-9.81	338.88	0.43	-9.38
O=C(NCC1(CCO)CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008720	0	46	0.0	-15.51	356.61	3.83	-11.68
O=C(NCC1(CCO)CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008721	0	43	0.0	-9.31	341.88	0.80	-8.51
CCC(CC)(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008722	0	48	0.0	-17.47	359.24	3.72	-13.75
CCC(CC)(CCO)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008723	0	45	0.0	-10.14	344.68	0.64	-9.50
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)CCCC1=NNN=N1	REAL000000008724	1	41	0.0	-20.69	349.99	5.31	-15.39
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)CCC1=NNN=N1	REAL000000008725	1	38	0.0	-16.86	328.49	4.51	-12.35
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008726	0	44	0.0	-23.89	375.14	8.15	-15.74
CC(CC(=O)C1=CC=C(F)C=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008727	0	41	0.0	-16.52	360.59	5.09	-11.42
O=C(CC1COCCN1C(=O)CCCC1=NNN=N1)C1=CC=CO1	REAL000000008728	1	43	0.0	-16.66	345.96	3.52	-13.15
O=C(CC1COCCN1C(=O)CCC1=NNN=N1)C1=CC=CO1	REAL000000008729	1	40	0.0	-12.75	324.47	2.74	-10.02
O=C(CC1COCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CO1	REAL000000008730	0	46	0.0	-19.15	367.84	7.08	-12.06
O=C(CC1COCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CO1	REAL000000008731	0	43	0.0	-14.33	352.64	4.81	-9.52
CN1C=CN=C1N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008733	0	45	0.0	-21.87	355.64	7.45	-14.42
CN1C=CN=C1N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008734	0	42	0.0	-14.63	338.62	5.17	-9.46
O=C(NC1=C2C=NC=CC2=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008735	0	38	0.0	-16.48	319.83	6.83	-9.65
O=C(NC1=C2C=NC=CC2=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008736	0	35	0.0	-10.70	304.64	3.75	-6.95
CC(C(=O)N1CCCC1)N1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008737	1	52	0.0	-17.58	394.46	3.32	-14.25
CC(C(=O)N1CCCC1)N1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008738	1	49	0.0	-13.71	372.97	2.55	-11.16
CC(C(=O)N1CCCC1)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008739	0	55	0.0	-18.81	415.60	5.71	-13.10
CC(C(=O)N1CCCC1)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008740	0	52	0.0	-13.83	393.69	3.24	-10.59
CCC1=NOC(CC)=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008741	0	44	0.0	-14.96	368.31	6.61	-8.35
CCC1=NOC(CC)=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008742	0	41	0.0	-9.74	353.36	3.58	-6.16
CC(C)CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000008743	0	51	0.0	-14.17	379.60	8.46	-5.71
CC(C)CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000008744	0	48	0.0	-7.69	364.09	5.42	-2.27
CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCO1	REAL000000008745	0	40	0.0	-14.93	322.05	4.41	-10.52
O=C(CCCC1=NNN=N1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL000000008746	1	39	0.0	-15.47	337.36	5.59	-9.88
O=C(CCC1=NNN=N1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL000000008747	1	36	0.0	-11.36	315.81	4.81	-6.54
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008748	0	42	0.0	-17.04	362.51	8.45	-8.59
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008749	0	39	0.0	-9.95	347.95	5.38	-4.57
CN1C=CN=C1CC1CCCN(C(=O)CCCC2=NNN=N2)C1	REAL000000008750	1	46	0.0	-16.91	360.43	6.24	-10.67
CN1C=CN=C1CC1CCCN(C(=O)CCC2=NNN=N2)C1	REAL000000008751	1	43	0.0	-17.25	339.39	5.42	-11.83
CN1C=CN=C1CC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008752	0	49	0.0	-25.34	383.46	8.58	-16.76
CN1C=CN=C1CC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008753	0	46	0.0	-16.61	368.62	6.42	-10.19
O=C(CCCC1=NNN=N1)NCC1=CN(CC(F)(F)F)N=C1	REAL000000008754	1	36	0.0	-18.27	324.74	2.64	-15.63
O=C(CCC1=NNN=N1)NCC1=CN(CC(F)(F)F)N=C1	REAL000000008755	1	33	0.0	-15.04	303.24	1.85	-13.18
O=C(NCC1=CN(CC(F)(F)F)N=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008756	0	39	0.0	-20.30	349.89	5.49	-14.81
O=C(NCC1=CN(CC(F)(F)F)N=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008757	0	36	0.0	-14.46	335.34	2.43	-12.04
CN1C=NC(CCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000008758	0	38	0.0	-23.04	326.78	5.39	-17.65
CCOCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000008759	1	50	0.0	-16.56	409.70	4.67	-11.89
CCOCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000008760	1	47	0.0	-12.53	388.20	3.89	-8.64
CCOCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008761	0	53	0.0	-18.72	434.82	7.52	-11.21
CCOCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008762	0	50	0.0	-12.22	420.30	4.45	-7.77
O=C(CCCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008763	1	45	0.0	-16.14	356.27	1.20	-14.95
O=C(CCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008764	1	42	0.0	-11.72	333.12	0.80	-10.92
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008765	0	48	0.0	-17.08	377.75	3.97	-13.10
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOCC1CC(O)C1=CC=CO1	REAL000000008766	0	45	0.0	-11.51	363.75	1.56	-9.95
O=C(NC1=CC=NN1CC1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008767	0	40	0.0	-18.25	335.90	7.30	-10.95
O=C(NC1=CC=NN1CC1CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008768	0	37	0.0	-10.89	320.94	4.27	-6.62
CCC1=NC2=C(S1)C(N(C)C(=O)CCCC1=NNN=N1)CCC2	REAL000000008769	1	45	0.0	-15.42	365.42	5.88	-9.54
CCC1=NC2=C(S1)C(N(C)C(=O)CCC1=NNN=N1)CCC2	REAL000000008770	1	42	0.0	-11.18	343.87	5.09	-6.09
CCC1=NC2=C(S1)C(N(C)C(=O)C1=CC=CC(NC3=NNN=N3)=C1)CCC2	REAL000000008771	0	48	0.0	-17.35	390.71	8.27	-9.08
CCC1=NC2=C(S1)C(N(C)C(=O)C1=CC=C(C3=NNN=N3)C=N1)CCC2	REAL000000008772	0	45	0.0	-10.63	373.43	6.23	-4.40
CC(C)C1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008773	0	48	0.0	-15.20	365.91	7.78	-7.42
CC(C)C1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008774	0	45	0.0	-8.06	351.36	4.72	-3.34
CN(C)C1=CC(CN(C)C(=O)CCCC2=NNN=N2)=CC=C1	REAL000000008775	1	44	0.0	-15.58	350.52	6.00	-9.58
CN(C)C1=CC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1	REAL000000008776	0	47	0.0	-18.11	376.25	8.50	-9.61
CN(C)C1=CC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1	REAL000000008777	0	44	0.0	-10.84	359.50	6.38	-4.46
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1OC1CCOC1	REAL000000008778	1	42	0.0	-15.04	341.74	3.14	-11.90
O=C(CCC1=NNN=N1)NC1=CC=CC=C1OC1CCOC1	REAL000000008779	1	39	0.0	-11.13	318.69	2.38	-8.75
O=C(NC1=CC=CC=C1OC1CCOC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008780	0	45	0.0	-16.12	365.19	5.97	-10.15
O=C(NC1=CC=CC=C1OC1CCOC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008781	0	42	0.0	-11.23	351.55	2.96	-8.28
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000008782	1	39	0.0	-24.13	342.15	1.99	-22.14
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000008783	1	36	0.0	-20.43	320.65	1.21	-19.22
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008784	0	42	0.0	-24.95	368.24	4.94	-20.01
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008785	0	39	0.0	-18.52	353.22	1.86	-16.66
COC(=O)CCCCCCCNC(=O)CCCC1=NNN=N1	REAL000000008786	1	47	0.0	-17.48	385.56	5.19	-12.29
COC(=O)CCCCCCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008787	0	50	0.0	-19.35	410.72	8.04	-11.31
COC(=O)CCCCCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008788	0	47	0.0	-12.79	396.16	4.97	-7.81
COCCN(CC1=CC=C(C)O1)C(=O)CCCC1=NNN=N1	REAL000000008789	1	43	0.0	-14.22	352.32	4.93	-9.28
COCCN(CC1=CC=C(C)O1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008790	0	46	0.0	-19.38	375.48	7.20	-12.18
COCCN(CC1=CC=C(C)O1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008791	0	43	0.0	-12.68	361.56	5.43	-7.25
COC(=O)CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CC1	REAL000000008792	0	42	0.0	-20.17	347.54	6.66	-13.51
COC(=O)CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CC1	REAL000000008793	0	39	0.0	-13.43	332.99	3.60	-9.83
CCCCC(CCC)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008794	0	50	0.0	-14.75	384.87	8.30	-6.46
CCCCC(CCC)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008795	0	47	0.0	-7.88	370.46	5.31	-2.57
O=C(CCCC1=NNN=N1)NC1=NNC(C2=CC(F)=CC(F)=C2)=C1	REAL000000008796	1	37	0.0	-14.81	326.51	4.44	-10.36
O=C(CCC1=NNN=N1)NC1=NNC(C2=CC(F)=CC(F)=C2)=C1	REAL000000008797	1	34	0.0	-11.10	305.01	3.66	-7.44
O=C(NC1=NNC(C2=CC(F)=CC(F)=C2)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008798	0	40	0.0	-15.12	351.64	7.29	-7.83
O=C(NC1=NNC(C2=CC(F)=CC(F)=C2)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008799	0	37	0.0	-9.88	337.09	4.23	-5.66
O=C(CCCC1=NNN=N1)NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1	REAL000000008800	1	45	0.0	-21.06	381.75	4.80	-16.26
O=C(CCC1=NNN=N1)NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1	REAL000000008801	1	42	0.0	-16.69	360.27	4.02	-12.67
O=C(NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008802	0	45	0.0	-12.66	392.34	4.58	-8.08
COCC1=NN2CC(NC(=O)CCCC3=NNN=N3)CCC2=N1	REAL000000008803	1	43	0.0	-24.06	354.68	1.81	-22.25
COCC1=NN2CC(NC(=O)CCC3=NNN=N3)CCC2=N1	REAL000000008804	1	40	0.0	-19.48	333.18	1.03	-18.45
COCC1=NN2CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)CCC2=N1	REAL000000008805	0	46	0.0	-25.16	379.81	4.67	-20.50
COCC1=NN2CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)CCC2=N1	REAL000000008806	0	43	0.0	-16.96	365.27	1.59	-15.36
COC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008807	0	43	0.0	-16.21	357.90	6.31	-9.90
COC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008808	0	40	0.0	-10.19	342.96	3.28	-6.91
O=C(CCC1=NNN=N1)NC1=CC=CC(OC2=NC=C(Br)C=N2)=C1	REAL000000008809	1	36	0.0	-16.64	337.52	1.55	-15.09
CCCN(C(=O)CCCC1=NNN=N1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL000000008810	1	59	0.0	-18.53	440.41	7.42	-11.11
CCCN(C(=O)CCC1=NNN=N1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL000000008811	1	56	0.0	-14.23	418.91	6.64	-7.59
O=C(CCCC1=NNN=N1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008812	1	44	0.0	-15.24	363.19	6.10	-9.13
O=C(CCC1=NNN=N1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008813	1	41	0.0	-11.46	341.77	5.32	-6.14
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008814	0	47	0.0	-16.35	382.45	8.47	-7.88
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CO1)CC1=CC=CC=C1O	REAL000000008815	0	44	0.0	-11.19	373.97	5.98	-5.21
O=C(CCCC1=NNN=N1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008816	1	50	0.0	-17.38	391.81	5.83	-11.55
O=C(CCC1=NNN=N1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008817	1	47	0.0	-12.91	370.26	5.06	-7.85
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008818	0	53	0.0	-19.16	416.52	8.37	-10.79
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(CCC2=CC=C(O)C=C2)CC1	REAL000000008819	0	50	0.0	-12.35	399.79	6.02	-6.33
COC1=CC(CN(C)C(=O)CCCC2=NNN=N2)=CC=C1O	REAL000000008820	1	41	0.0	-17.79	339.60	2.75	-15.03
COC1=CC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1O	REAL000000008821	0	44	0.0	-19.84	363.97	5.23	-14.61
COC1=CC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1O	REAL000000008822	0	41	0.0	-13.10	346.95	3.13	-9.97
CN(CC1=CC=CC(O)=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008823	0	40	0.0	-17.42	334.75	5.23	-12.19
CN(CC1=CC=CC(O)=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008824	0	37	0.0	-12.74	318.00	3.10	-9.64
O=C(CCCC1=NNN=N1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008825	1	44	0.0	-16.21	348.63	4.24	-11.96
O=C(CCC1=NNN=N1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008826	1	41	0.0	-11.86	327.12	3.46	-8.40
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008827	0	47	0.0	-17.71	372.99	6.66	-11.05
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(C2=CC=C(O)C=C2)CC1	REAL000000008828	0	44	0.0	-11.27	356.38	4.48	-6.79
O=C(CCCC1=NNN=N1)N1CCN(C(=O)C2=CC=C(O)C=C2)CC1	REAL000000008829	1	45	0.0	-22.61	362.34	2.45	-20.16
O=C(C1=CC=C(O)C=C1)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008831	0	48	0.0	-18.63	387.23	4.88	-13.75
O=C(C1=CC=C(O)C=C1)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008832	0	45	0.0	-14.74	367.52	2.54	-12.20
O=C(CCCC1=NNN=N1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008833	1	45	0.0	-24.34	362.34	2.72	-21.62
O=C(CCC1=NNN=N1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008834	1	42	0.0	-18.72	341.85	1.99	-16.73
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008835	0	48	0.0	-21.33	380.07	5.97	-15.36
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL000000008836	0	45	0.0	-16.76	365.01	3.68	-13.08
CN(CC1=CC=CC=C1O)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008837	0	40	0.0	-12.23	328.21	5.48	-6.76
CN(CC1=CC=CC=C1O)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008838	0	37	0.0	-10.75	313.41	3.26	-7.48
O=C(C1=CC=C(O)C=C1)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008841	0	49	0.0	-25.56	394.86	6.68	-18.89
O=C(C1=CC=C(O)C=C1)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008842	0	46	0.0	-16.73	378.62	4.42	-12.31
COC1=CC=C(CN(C)C(=O)CCCC2=NNN=N2)C=C1O	REAL000000008843	1	41	0.0	-16.74	339.63	2.75	-13.99
COC1=CC=C(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1O	REAL000000008844	0	44	0.0	-18.71	363.97	5.23	-13.48
COC1=CC=C(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1O	REAL000000008845	0	41	0.0	-14.70	346.96	3.14	-11.56
O=C(CCCC1=NNN=N1)N1CCCC1C1=CC=C(O)C=C1	REAL000000008846	1	41	0.0	-16.32	335.14	4.11	-12.21
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC1C1=CC=C(O)C=C1	REAL000000008847	0	44	0.0	-19.97	356.91	6.43	-13.53
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1C1=CC=C(O)C=C1	REAL000000008848	0	41	0.0	-12.46	342.41	4.36	-8.11
O=C(CCCC1=NNN=N1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008849	1	44	0.0	-13.82	361.70	5.22	-8.60
O=C(CCC1=NNN=N1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008850	1	41	0.0	-10.02	340.20	4.44	-5.59
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008851	0	47	0.0	-16.07	380.88	7.41	-8.66
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CC(O)=C1)CC1CC1	REAL000000008852	0	44	0.0	-10.74	366.38	5.68	-5.06
CCCN(CC1=CC=CC=C1O)C(=O)CCCC1=NNN=N1	REAL000000008853	1	43	0.0	-13.31	345.22	5.92	-7.39
CCCN(CC1=CC=CC=C1O)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008854	0	46	0.0	-16.36	365.39	7.03	-9.34
CCCN(CC1=CC=CC=C1O)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008855	0	43	0.0	-10.28	353.01	5.36	-4.92
O=C(CCCC1=NNN=N1)N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL000000008856	1	48	0.0	-21.76	384.51	2.71	-19.06
O=C(CCC1=NNN=N1)N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL000000008857	1	45	0.0	-20.46	363.00	1.93	-18.53
O=C(NC1=CC=C(O)C=C1)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008858	0	48	0.0	-18.82	393.70	2.87	-15.95
O=C(NCCSCCCO)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008859	0	40	0.0	-19.77	346.88	2.90	-16.87
O=C(NCCSCCCO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008860	0	37	0.0	-12.19	332.33	-0.16	-12.35
CC(C1=CC=CC(O)=C1)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008861	0	43	0.0	-18.23	350.24	5.76	-12.48
CC(C1=CC=CC(O)=C1)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008862	0	40	0.0	-10.18	331.26	3.96	-6.22
O=C(NCCN1N=CN=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008863	0	34	0.0	-22.02	299.11	3.16	-18.86
O=C(NCCN1C=NN=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008864	0	34	0.0	-28.74	298.68	3.50	-25.24
COC(=O)C1=CSC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008865	0	36	0.0	-15.71	327.82	5.96	-9.75
COC(=O)C1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008866	0	33	0.0	-10.84	313.26	2.90	-7.93
COCC(C)(C#N)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008867	0	37	0.0	-22.82	314.99	3.33	-19.49
CCN(CC1=CC(Br)=CC=C1O)C(=O)CCCC1=NNN=N1	REAL000000008868	1	40	0.0	-12.24	345.00	5.75	-6.48
CCN(CC1=CC(Br)=CC=C1O)C(=O)CCC1=NNN=N1	REAL000000008869	1	37	0.0	-9.28	323.51	4.97	-4.31
CC(C)CC(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008870	0	48	0.0	-15.67	370.28	3.91	-11.77
CC(C)CC(CCO)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008871	0	45	0.0	-9.75	356.10	0.94	-8.82
O=C(CCCC1=NNN=N1)NC1=CN=CN=C1N1CCCC1	REAL000000008872	1	40	0.0	-14.38	324.55	3.28	-11.10
O=C(NC1=CN=CN=C1N1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008873	0	43	0.0	-15.53	347.66	6.50	-9.04
O=C(NC1=CN=CN=C1N1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008874	0	40	0.0	-8.99	335.16	3.07	-5.92
CN(CCC1CCOCC1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008875	0	46	0.0	-16.76	358.54	6.55	-10.21
CN(CCC1CCOCC1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008876	0	43	0.0	-10.01	341.42	4.55	-5.45
CCCC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000008877	0	45	0.0	-15.64	344.63	8.15	-7.50
CCCC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000008878	0	42	0.0	-8.58	328.87	5.89	-2.69
NC(=O)CN1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008879	0	42	0.0	-19.21	333.18	0.70	-18.51
NC(=O)CN1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008880	0	39	0.0	-15.31	318.03	-1.55	-16.86
CC(NC(=O)CCCC1=NNN=N1)(C(N)=O)C1=CC=CC=C1	REAL000000008881	1	40	0.0	-21.26	326.26	1.07	-20.18
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)(C(N)=O)C1=CC=CC=C1	REAL000000008882	0	43	0.0	-21.76	351.71	3.92	-17.84
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)(C(N)=O)C1=CC=CC=C1	REAL000000008883	0	40	0.0	-13.59	336.85	0.87	-12.73
O=C(NCC1=CC=C2COCC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008884	0	41	0.0	-15.44	343.65	5.63	-9.81
O=C(NCC1=CC=C2COCC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008885	0	38	0.0	-9.75	329.09	2.56	-7.19
O=C(CCCC1=NNN=N1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008886	1	49	0.0	-18.48	388.32	6.89	-11.59
O=C(CCC1=NNN=N1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008887	1	46	0.0	-13.56	366.82	6.11	-7.44
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL000000008888	0	49	0.0	-10.83	396.04	7.12	-3.71
O=C(CCCC1=NNN=N1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008889	1	42	0.0	-22.01	349.86	7.72	-14.29
O=C(CCC1=NNN=N1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008890	1	39	0.0	-18.04	327.63	6.90	-11.14
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008891	0	45	0.0	-20.42	371.30	9.74	-10.68
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL000000008892	0	42	0.0	-12.43	353.30	8.31	-4.12
COCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008893	0	43	0.0	-15.55	352.34	5.18	-10.37
COCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008894	0	40	0.0	-8.99	338.60	2.08	-6.91
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(OCCN2CCOCC2)C1	REAL000000008897	0	50	0.0	-11.56	397.40	1.66	-9.90
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=CC(Cl)=C1	REAL000000008898	1	37	0.0	-15.20	328.70	1.61	-13.59
O=C(NCC(O)C1=CC=CC(Cl)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008899	0	40	0.0	-16.67	353.37	4.54	-12.13
O=C(NCC(O)C1=CC=CC(Cl)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008900	0	37	0.0	-10.70	339.30	1.39	-9.31
O=C(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)NCCO	REAL000000008901	0	37	0.0	-17.21	318.08	-1.48	-18.69
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C(F)C(F)=C1	REAL000000008902	1	41	0.0	-17.57	357.61	0.90	-16.66
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C(F)C(F)=C1	REAL000000008903	1	38	0.0	-13.53	335.82	0.18	-13.35
O=C(NCC(O)COC1=CC=C(F)C(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008904	0	44	0.0	-18.43	382.47	3.82	-14.61
O=C(NCC(O)COC1=CC=C(F)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008905	0	41	0.0	-13.02	368.21	0.70	-12.32
O=C(N[C@@H](CO)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008906	0	40	0.0	-15.07	333.95	4.02	-11.05
O=C(N[C@@H](CO)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008907	0	37	0.0	-9.58	319.40	0.96	-8.62
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=C(Cl)C=C1Cl	REAL000000008908	1	37	0.0	-14.84	341.68	2.14	-12.71
O=C(CCC1=NNN=N1)NCC(O)C1=CC=C(Cl)C=C1Cl	REAL000000008909	1	34	0.0	-11.19	320.57	1.30	-9.89
O=C(NCC(O)C1=CC=C(Cl)C=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008910	0	40	0.0	-16.52	367.62	4.89	-11.63
O=C(NCC(O)C1=CC=C(Cl)C=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008911	0	37	0.0	-10.52	352.67	1.86	-8.66
CC(C)(C)C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008912	0	42	0.0	-14.27	331.36	2.73	-11.54
CCC(CC)C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008913	0	45	0.0	-14.28	351.52	3.58	-10.70
CCC(CC)C(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008914	0	42	0.0	-8.57	335.09	0.22	-8.35
CCC(C)C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008915	0	42	0.0	-14.28	333.29	3.04	-11.24
CC1=CC=CC=C1C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008916	0	43	0.0	-16.22	353.43	4.53	-11.70
CC1=CC=CC=C1C(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008917	0	40	0.0	-10.04	337.14	1.46	-8.58
CC(C)OC1=CC=CC(C(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000008918	1	47	0.0	-15.93	380.77	2.05	-13.88
CC(C)OC1=CC=CC(C(O)CNC(=O)CCC2=NNN=N2)=C1	REAL000000008919	1	44	0.0	-12.25	359.26	1.26	-10.98
CC(C)OC1=CC=CC(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000008920	0	50	0.0	-17.46	406.19	4.87	-12.59
CC(C)OC1=CC=CC(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000008921	0	47	0.0	-11.38	391.34	1.84	-9.55
CC(C)(C)C1=CC=C(C(O)CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008922	1	49	0.0	-14.30	387.66	3.52	-10.78
CC(C)(C)C1=CC=C(C(O)CNC(=O)CCC2=NNN=N2)C=C1	REAL000000008923	1	46	0.0	-10.64	366.67	2.65	-7.99
CC(C)(C)C1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008924	0	52	0.0	-15.97	413.33	6.29	-9.68
CC(C)(C)C1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008925	0	49	0.0	-9.88	398.80	3.22	-6.67
CC(C)OC1=CC=C(C(O)CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000008926	1	47	0.0	-16.19	381.24	1.96	-14.22
CC(C)OC1=CC=C(C(O)CNC(=O)CCC2=NNN=N2)C=C1	REAL000000008927	1	44	0.0	-12.29	359.26	1.26	-11.03
CC(C)OC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000008928	0	50	0.0	-17.76	406.66	4.79	-12.97
CC(C)OC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000008929	0	47	0.0	-11.56	391.85	1.75	-9.81
O=C(NCC(O)C1CCOCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008930	0	44	0.0	-15.68	350.48	1.68	-14.00
O=C(NCC(O)C1CCOCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008931	0	41	0.0	-10.07	335.92	-1.40	-11.47
O=C(NCC(O)C1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008932	0	43	0.0	-14.31	339.78	3.68	-10.63
O=C(NCC(O)C1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008933	0	40	0.0	-8.47	325.22	0.61	-7.86
CC(C)CC(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008934	0	42	0.0	-14.52	339.39	2.97	-11.55
O=C(CCCC1=NNN=N1)NCC(O)C1=CC(Cl)=C2OCCOC2=C1	REAL000000008935	1	43	0.0	-18.23	371.94	0.89	-17.33
O=C(CCC1=NNN=N1)NCC(O)C1=CC(Cl)=C2OCCOC2=C1	REAL000000008936	1	40	0.0	-14.57	350.94	0.02	-14.55
CCCN(C(=O)C1=CC=CS1)C1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000008937	1	53	0.0	-21.31	410.75	6.89	-14.43
CCCN(C(=O)C1=CC=CS1)C1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000008938	1	50	0.0	-16.62	389.47	6.06	-10.56
CC(O)CC(CNC(=O)CCCC1=NNN=N1)C1=CC=CC=C1	REAL000000008939	1	46	0.0	-14.54	370.79	3.01	-11.54
CC(O)CC(CNC(=O)CCC1=NNN=N1)C1=CC=CC=C1	REAL000000008940	1	43	0.0	-12.07	349.56	2.24	-9.83
CC(O)CC(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1	REAL000000008941	0	49	0.0	-17.86	395.90	5.85	-12.00
CC(O)CC(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1	REAL000000008942	0	46	0.0	-10.67	381.17	2.79	-7.88
CS(=O)(=O)CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1F	REAL000000008943	1	39	0.0	-27.82	347.03	1.61	-26.21
CS(=O)(=O)CC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1F	REAL000000008944	1	36	0.0	-23.46	325.55	0.83	-22.63
CS(=O)(=O)CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000008945	0	42	0.0	-30.88	372.48	4.50	-26.38
CS(=O)(=O)CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000008946	0	39	0.0	-21.65	357.36	1.42	-20.23
CC1=NN(CC(C)C)C(Cl)=C1C1CCCN1C(=O)CCCC1=NNN=N1	REAL000000008947	1	52	0.0	-16.65	413.97	7.59	-9.06
CC1=NN(CC(C)C)C(Cl)=C1C1CCCN1C(=O)CCC1=NNN=N1	REAL000000008948	1	49	0.0	-12.45	397.15	7.23	-5.22
O=C(NC1=CC=CC(OCCF)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008949	0	40	0.0	-21.91	340.18	6.58	-15.33
O=C(NC1=CC=CC(OCCF)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008950	0	37	0.0	-14.37	325.23	3.55	-10.82
O=C(NCC(O)C1=CSC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008951	0	37	0.0	-15.95	327.72	2.90	-13.05
O=C(NCC(O)C1=CSC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008952	0	34	0.0	-9.87	312.76	-0.13	-10.00
O=C(CCCC1=NNN=N1)NCC(O)C1=C(F)C=CC=C1Cl	REAL000000008953	1	37	0.0	-14.47	328.44	1.74	-12.74
O=C(CCC1=NNN=N1)NCC(O)C1=C(F)C=CC=C1Cl	REAL000000008954	1	34	0.0	-10.84	307.50	0.90	-9.94
O=C(NCC(O)C1=C(F)C=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000008955	0	40	0.0	-16.13	354.16	4.50	-11.63
O=C(NCC(O)C1=C(F)C=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000008956	0	37	0.0	-10.27	339.59	1.43	-8.84
CC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000008957	0	40	0.0	-17.46	343.04	2.81	-14.65
CC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000008958	0	37	0.0	-11.10	328.09	-0.21	-11.31
COC1=CC=C(CC(CO)CNC(=O)CCCC2=NNN=N2)C=C1O	REAL000000008959	1	48	0.0	-19.06	387.72	0.00	-19.06
COC1=CC=C(CC(CO)CNC(=O)CCC2=NNN=N2)C=C1O	REAL000000008960	1	45	0.0	-14.43	366.22	-0.79	-15.22
COC1=CC=C(CC(CO)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1O	REAL000000008961	0	51	0.0	-19.32	412.87	2.85	-16.47
COC1=CC=C(CC(CO)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1O	REAL000000008962	0	48	0.0	-14.68	399.29	-0.21	-14.89
CN1C=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=N1	REAL000000008963	0	40	0.0	-20.38	341.95	1.57	-18.81
CN1C=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=N1	REAL000000008964	0	37	0.0	-13.99	326.44	-1.37	-15.36
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000008965	1	51	0.0	-17.05	422.74	4.46	-12.59
O=C(CCC1=NNN=N1)NCC(O)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000008966	1	48	0.0	-13.43	401.25	3.67	-9.76
CC1=C2C(=CC=C1)N=C(CNC(=O)CCCC1=NNN=N1)N2C	REAL000000008967	1	42	0.0	-17.51	344.09	4.25	-13.26
CC1=C2C(=CC=C1)N=C(CNC(=O)C1=CC=CC(NC3=NNN=N3)=C1)N2C	REAL000000008968	0	45	0.0	-18.21	369.35	7.08	-11.13
CC1=C2C(=CC=C1)N=C(CNC(=O)C1=CC=C(C3=NNN=N3)C=N1)N2C	REAL000000008969	0	42	0.0	-13.29	354.69	4.03	-9.27
O=C(CCCC1=NNN=N1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008970	1	50	0.0	-13.73	378.10	4.50	-9.24
O=C(CCC1=NNN=N1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008971	1	47	0.0	-10.43	357.43	3.75	-6.68
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008972	0	53	0.0	-14.41	398.46	8.52	-5.89
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCCC1CC(O)C1=CC=CO1	REAL000000008973	0	50	0.0	-9.81	385.36	4.80	-5.01
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008974	0	49	0.0	-72.22	378.84	5.74	-66.49
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008974	1	49	0.0	-72.21	378.78	5.73	-66.48
O=C(CCC1=NN=N[N-]1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008975	0	46	0.0	-63.63	357.36	4.96	-58.68
O=C(CCC1=N[N-]N=N1)N1CCC(OCC[NH+]2CCCC2)C1	REAL000000008975	1	46	0.0	-63.63	357.31	4.95	-58.69
CCN(CC)C(=O)NC1=CC=C(C(C)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000008977	1	54	0.0	-21.64	432.09	6.09	-15.55
CCN(CC)C(=O)NC1=CC=C(C(C)NC(=O)CCC2=NNN=N2)C=C1	REAL000000008978	1	51	0.0	-17.14	410.59	5.30	-11.84
O=C(CCCC1=NNN=N1)N1CCC(C(=O)NC2=CC=CN=C2)CC1	REAL000000008979	1	46	0.0	-23.56	368.67	3.78	-19.78
O=C(CCC1=NNN=N1)N1CCC(C(=O)NC2=CC=CN=C2)CC1	REAL000000008980	1	43	0.0	-18.85	347.14	3.00	-15.85
O=C(NC1=CC=CN=C1)C1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000008981	0	49	0.0	-25.18	392.70	6.30	-18.89
O=C(NC1=CC=CN=C1)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000008982	0	46	0.0	-17.35	375.78	4.03	-13.32
CCC1=NNC(=O)C(CNC(=O)CCCC2=NNN=N2)=C1CC	REAL000000008983	1	44	0.0	-19.21	356.79	1.63	-17.59
CCC1=NNC(=O)C(CNC(=O)CCC2=NNN=N2)=C1CC	REAL000000008984	1	41	0.0	-14.94	335.29	0.85	-14.09
CCC1=NNC(=O)C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1CC	REAL000000008985	0	47	0.0	-20.84	382.28	4.44	-16.40
CCC1=NNC(=O)C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1CC	REAL000000008986	0	44	0.0	-14.74	367.34	1.41	-13.32
COC1=CC(NC2CCCN(C(=O)CCCC3=NNN=N3)C2)=CC(OC)=C1	REAL000000008987	1	53	0.0	-18.05	411.92	4.09	-13.95
COC1=CC(NC2CCCN(C(=O)CCC3=NNN=N3)C2)=CC(OC)=C1	REAL000000008988	1	50	0.0	-15.19	390.44	3.31	-11.88
O=C(CCCC1=NNN=N1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008989	1	36	0.0	-16.68	304.84	4.35	-12.34
O=C(CCC1=NNN=N1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008990	1	33	0.0	-12.38	283.30	3.56	-8.82
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008991	0	39	0.0	-16.15	327.76	6.69	-9.46
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL000000008992	0	36	0.0	-10.49	312.31	4.53	-5.96
O=C(CCCC1=NNN=N1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008993	1	49	0.0	-17.20	390.86	8.69	-8.50
O=C(CCC1=NNN=N1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008994	1	46	0.0	-13.78	369.36	7.91	-5.87
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC1	REAL000000008995	0	49	0.0	-12.33	393.43	9.23	-3.11
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC=CC(F)=C21	REAL000000008996	0	37	0.0	-24.58	303.13	8.00	-16.58
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=CC(F)=C21	REAL000000008997	0	34	0.0	-14.81	291.10	5.85	-8.96
COC1=CC=C(Br)C=C1CNC(=O)CCCC1=NNN=N1	REAL000000008998	1	37	0.0	-14.00	332.25	3.45	-10.55
COC1=CC=C(Br)C=C1CNC(=O)CCC1=NNN=N1	REAL000000008999	1	34	0.0	-10.15	310.74	2.66	-7.49
COC1=CC=C(Br)C=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009000	0	37	0.0	-9.67	342.85	3.23	-6.44
O=C(CCCC1=NNN=N1)NCC1(CC2=CC=CC=C2)CCC1	REAL000000009001	1	46	0.0	-14.69	362.67	6.52	-8.17
O=C(NCC1(CC2=CC=CC=C2)CCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009002	0	49	0.0	-16.61	387.62	9.31	-7.30
O=C(NCC1(CC2=CC=CC=C2)CCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009003	0	46	0.0	-9.34	372.66	6.28	-3.06
CC1(C)CCCCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009004	0	45	0.0	-15.04	339.26	7.28	-7.76
CC1(C)CCCCC1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009005	0	42	0.0	-7.99	324.70	4.22	-3.77
O=C(CCC1=NNN=N1)NC1CCN(C2=NC=C(C(F)(F)F)C=C2Cl)C1	REAL000000009006	1	41	0.0	-9.93	362.35	3.51	-6.43
O=C(CCCC1=NNN=N1)NC1CCN(C2=NC=CC=C2Cl)C1	REAL000000009007	1	41	0.0	-15.78	344.57	3.31	-12.47
O=C(CCC1=NNN=N1)NC1CCN(C2=NC=CC=C2Cl)C1	REAL000000009008	1	38	0.0	-11.84	323.02	2.52	-9.32
O=C(NC1CCN(C2=NC=CC=C2Cl)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009009	0	44	0.0	-16.24	370.14	6.17	-10.07
O=C(NC1CCN(C2=NC=CC=C2Cl)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009010	0	41	0.0	-10.66	355.21	3.09	-7.57
COC(=O)C1=CC=CC(CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009011	1	39	0.0	-17.16	337.34	4.12	-13.03
COC(=O)C1=CC=CC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009012	0	42	0.0	-18.92	362.49	6.97	-11.95
COC(=O)C1=CC=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009013	0	39	0.0	-12.90	347.93	3.91	-8.99
CC1=NC(N2CCOCC2)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009014	1	45	0.0	-16.80	356.31	2.42	-14.37
CC1=NC(N2CCOCC2)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000009015	1	42	0.0	-12.80	334.78	1.64	-11.15
CC1=NC(N2CCOCC2)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009016	0	48	0.0	-17.55	382.75	5.34	-12.22
CC1=NC(N2CCOCC2)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009017	0	45	0.0	-10.97	366.88	2.21	-8.76
CC1=CC(F)=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009018	0	36	0.0	-18.27	310.06	6.92	-11.34
CC(C)C1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009019	0	51	0.0	-15.06	379.04	8.20	-6.86
CC(C)C1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009020	0	48	0.0	-7.76	371.11	5.42	-2.34
COC(=O)C1=CC=CC(NC2CCN(C(=O)CCCC3=NNN=N3)CC2)=C1	REAL000000009021	1	51	0.0	-19.24	407.79	6.14	-13.10
COC(=O)C1=CC=CC(NC2CCN(C(=O)CCC3=NNN=N3)CC2)=C1	REAL000000009022	1	48	0.0	-15.14	386.30	5.35	-9.79
COC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1N1N=NN=C1C1CC1	REAL000000009023	1	46	0.0	-22.06	386.70	4.42	-17.64
COC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1N1N=NN=C1C1CC1	REAL000000009024	1	43	0.0	-18.44	365.61	3.63	-14.81
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(N2CCOCC2)=C1	REAL000000009025	1	49	0.0	-14.05	390.55	3.58	-10.47
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(N2CCOCC2)=C1	REAL000000009026	1	46	0.0	-10.18	369.06	2.80	-7.38
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(N2CCOCC2)=C1	REAL000000009027	0	52	0.0	-15.73	416.10	6.39	-9.34
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(N2CCOCC2)=C1	REAL000000009028	0	49	0.0	-9.45	401.15	3.36	-6.09
CC(C)CC1CCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009029	0	48	0.0	-11.73	353.56	8.44	-3.29
CC(C)CC1CCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009030	0	45	0.0	-7.88	339.92	6.34	-1.54
O=C(NCCN1C=C([N+](=O)[O-])C=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009031	0	38	0.0	-25.49	340.73	5.00	-20.48
O=C(NCCN1C=C([N+](=O)[O-])C=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009032	0	35	0.0	-17.31	325.79	1.97	-15.33
O=C(CCCC1=NNN=N1)NCC1=CC=C2C(=C1)CCS2(=O)=O	REAL000000009033	1	40	0.0	-23.91	346.96	1.35	-22.55
O=C(CCC1=NNN=N1)NCC1=CC=C2C(=C1)CCS2(=O)=O	REAL000000009034	1	37	0.0	-20.11	325.46	0.56	-19.55
O=C(NCC1=CC=C2C(=C1)CCS2(=O)=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009035	0	43	0.0	-25.02	372.11	4.20	-20.81
O=C(NCC1=CC=C2C(=C1)CCS2(=O)=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009036	0	40	0.0	-19.22	357.55	1.14	-18.08
O=C(CCCC1=NNN=N1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1	REAL000000009037	1	37	0.0	-14.05	336.83	4.22	-9.83
O=C(CCC1=NNN=N1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1	REAL000000009038	1	34	0.0	-10.06	315.06	3.45	-6.61
O=C(CCCC1=NNN=N1)NCC(CO)CC1=CC=CC=C1C(F)(F)F	REAL000000009041	1	46	0.0	-15.87	376.44	3.51	-12.36
O=C(CCC1=NNN=N1)NCC(CO)CC1=CC=CC=C1C(F)(F)F	REAL000000009042	1	43	0.0	-12.05	353.96	2.51	-9.54
O=C(CCCC1=NNN=N1)N(CCCO)CC1=CC=CC=C1	REAL000000009043	1	43	0.0	-16.74	346.83	3.74	-13.00
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCCO)CC1=CC=CC=C1	REAL000000009044	0	46	0.0	-18.08	375.46	6.31	-11.77
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CCCO)CC1=CC=CC=C1	REAL000000009045	0	43	0.0	-12.40	354.73	4.50	-7.90
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CN(C)CCO1	REAL000000009046	0	45	0.0	-13.73	355.83	3.07	-10.66
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CN(C)CCO1	REAL000000009047	0	42	0.0	-8.41	340.09	-0.44	-8.85
CC1(C)CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2=CC=CC=C21	REAL000000009048	0	46	0.0	-16.61	367.71	8.77	-7.84
CC1(C)CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C2=CC=CC=C21	REAL000000009049	0	43	0.0	-9.57	352.71	5.70	-3.87
O=C(CCCC1=NNN=N1)NCC(=O)OCC1=CC=CC=C1	REAL000000009050	1	39	0.0	-13.63	337.71	4.56	-9.08
O=C(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)OCC1=CC=CC=C1	REAL000000009051	0	42	0.0	-14.55	362.86	7.41	-7.13
O=C(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)OCC1=CC=CC=C1	REAL000000009052	0	39	0.0	-10.28	348.31	4.34	-5.94
COC1=CC=C(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000009053	0	40	0.0	-23.02	326.90	6.47	-16.55
COC1=CC=C(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000009054	0	37	0.0	-10.49	311.94	4.50	-6.00
COC1=CC=C(N(C)C(=O)CCCC2=NNN=N2)C=C1Cl	REAL000000009055	1	37	0.0	-16.07	324.14	4.98	-11.10
COC1=CC=C(N(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1Cl	REAL000000009056	0	40	0.0	-21.01	336.75	6.95	-14.05
COC1=CC=C(N(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1Cl	REAL000000009057	0	37	0.0	-9.77	321.74	4.97	-4.80
O=C(CCCC1=NNN=N1)NC1C2CCC(C2)C1C(=O)OCC1=CC=CC=C1	REAL000000009058	1	53	0.0	-18.17	421.82	8.72	-9.45
O=C(CCC1=NNN=N1)NC1C2CCC(C2)C1C(=O)OCC1=CC=CC=C1	REAL000000009059	1	50	0.0	-10.30	388.66	8.31	-2.00
COC1=CC=CC=C1CSC1=CC=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009060	1	48	0.0	-15.17	404.26	7.80	-7.37
COC1=CC=CC=C1CSC1=CC=CC=C1NC(=O)CCC1=NNN=N1	REAL000000009061	1	45	0.0	-11.66	382.77	7.02	-4.64
CC1=COC(C2=CC=C(C)C(NC(=O)CCCC3=NNN=N3)=C2)=N1	REAL000000009062	1	42	0.0	-21.01	352.24	3.35	-17.66
CC1=COC(C2=CC=C(C)C(NC(=O)CCC3=NNN=N3)=C2)=N1	REAL000000009063	1	39	0.0	-16.36	330.77	2.57	-13.79
CC1=COC(C2=CC=C(C)C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)=N1	REAL000000009064	0	45	0.0	-22.41	378.01	6.21	-16.20
CC1=COC(C2=CC=C(C)C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)=N1	REAL000000009065	0	42	0.0	-14.77	362.82	3.13	-11.64
COC1=CC=CC2=C1CCC2NC(=O)CCCC1=NNN=N1	REAL000000009066	1	41	0.0	-15.35	335.24	4.08	-11.28
COC1=CC=CC2=C1CCC2NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009067	0	44	0.0	-17.23	360.01	6.91	-10.32
COC1=CC=CC2=C1CCC2NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009068	0	41	0.0	-10.67	345.79	3.85	-6.82
CC(NC(=O)CCCC1=NNN=N1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009069	1	47	0.0	-17.86	389.25	6.26	-11.60
CC(NC(=O)CCC1=NNN=N1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009070	1	44	0.0	-13.66	367.79	5.47	-8.19
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009071	0	50	0.0	-19.16	414.40	9.11	-10.05
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(OCC2CC2)C(F)=C1	REAL000000009072	0	47	0.0	-11.23	399.84	6.04	-5.19
O=C(CCCC1=NNN=N1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009073	1	43	0.0	-17.10	354.47	4.25	-12.84
O=C(CCC1=NNN=N1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009074	1	40	0.0	-12.74	333.00	3.47	-9.27
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009075	0	46	0.0	-15.35	373.97	6.59	-8.76
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(OCC2=CC=CC=N2)C1	REAL000000009076	0	43	0.0	-12.39	361.41	4.40	-7.99
O=C(CCC1=NNN=N1)NCC1=CC=C(Br)C=C1N1CCOCC1	REAL000000009077	1	43	0.0	-10.29	368.95	2.74	-7.54
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)CCCC1=NNN=N1	REAL000000009078	1	36	0.0	-11.51	322.89	6.24	-5.27
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)CCC1=NNN=N1	REAL000000009079	1	33	0.0	-8.19	300.64	5.47	-2.73
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009080	0	39	0.0	-18.72	344.23	8.80	-9.92
CN(CC1=CC=CC(Cl)=C1Cl)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009081	0	36	0.0	-8.30	331.35	6.64	-1.67
CC(C)(NC(=O)CCCC1=NNN=N1)C(=O)NCC1CCCCC1	REAL000000009082	1	52	0.0	-15.87	395.44	3.92	-11.95
CC(C)(NC(=O)CCC1=NNN=N1)C(=O)NCC1CCCCC1	REAL000000009083	1	49	0.0	-12.09	373.96	3.15	-8.95
CC(C)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)NCC1CCCCC1	REAL000000009084	0	55	0.0	-16.58	420.59	6.77	-9.81
CC(C)(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)NCC1CCCCC1	REAL000000009085	0	52	0.0	-10.00	406.03	3.71	-6.29
O=C(CCCC1=NNN=N1)NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000009086	1	43	0.0	-20.23	361.31	1.49	-18.74
O=C(CCC1=NNN=N1)NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000009087	1	40	0.0	-16.96	346.59	-1.21	-18.17
O=C(NC(CO)C(O)C1=CC=C([N+](=O)[O-])C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009088	0	43	0.0	-15.64	379.36	-0.68	-16.32
O=C(NC1CCCCC1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009089	0	40	0.0	-15.49	318.24	2.94	-12.55
O=C(NC1C2=CC=CC=C2CC1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009090	0	41	0.0	-17.90	338.87	4.52	-13.38
O=C(NC1C2=CC=CC=C2CC1O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009091	0	38	0.0	-13.16	327.25	1.15	-12.01
O=C(N[C@H]1C2=CC=CC=C2C[C@H]1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009094	0	41	0.0	-17.94	339.26	4.49	-13.45
O=C(N[C@H]1C2=CC=CC=C2C[C@H]1O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009095	0	38	0.0	-12.06	324.31	1.46	-10.60
O=C(N[C@@H]1C2=CC=CC=C2C[C@@H]1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009096	0	41	0.0	-18.19	340.18	4.59	-13.60
O=C(N[C@@H]1C2=CC=CC=C2C[C@@H]1O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009097	0	38	0.0	-11.65	325.60	1.53	-10.12
O=C(CCCC1=NN=N[N-]1)NCCCC[N@H+]1CCCC1CO	REAL000000009098	0	48	0.0	-70.13	373.71	1.97	-68.17
O=C(CCCC1=NN=N[N-]1)NCCCC[N@@H+]1CCCC1CO	REAL000000009098	1	48	0.0	-69.87	373.81	2.02	-67.85
O=C(CCCC1=N[N-]N=N1)NCCCC[N@H+]1CCCC1CO	REAL000000009098	1	48	0.0	-70.12	373.65	1.97	-68.15
O=C(CCCC1=N[N-]N=N1)NCCCC[N@@H+]1CCCC1CO	REAL000000009098	1	48	0.0	-69.85	373.75	2.02	-67.84
CC(NC(=O)CCCC1=NNN=N1)C(O)C1=CC=C(F)C=C1	REAL000000009101	1	40	0.0	-15.54	330.02	2.04	-13.50
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=CC=C(F)C=C1	REAL000000009102	0	43	0.0	-17.12	354.45	4.84	-12.28
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=CC=C(F)C=C1	REAL000000009103	0	40	0.0	-10.96	339.89	1.78	-9.19
CC1=NN=C(C2CCCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000009104	0	41	0.0	-22.91	339.79	1.79	-21.12
CC1=NN=C(C2CCCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000009105	0	38	0.0	-16.94	324.74	-0.31	-17.25
CN(CC1=CC(Cl)=CN1C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009106	0	40	0.0	-10.43	339.10	8.01	-2.42
CN(CC1=CC(Cl)=CN1C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009107	0	37	0.0	-8.91	322.31	5.89	-3.02
NC(=O)COCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009108	0	37	0.0	-24.92	319.95	0.60	-24.33
COC1=CC=C(N2CCN(C(=O)CCCC3=NNN=N3)CC2)C=C1	REAL000000009109	1	46	0.0	-15.98	358.32	3.90	-12.08
COC1=CC=C(N2CCN(C(=O)CCC3=NNN=N3)CC2)C=C1	REAL000000009110	1	43	0.0	-11.61	336.82	3.11	-8.51
COC1=CC=C(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)C=C1	REAL000000009111	0	49	0.0	-17.61	381.09	6.36	-11.25
COC1=CC=C(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)C=C1	REAL000000009112	0	46	0.0	-11.02	366.31	4.09	-6.93
O=C(NCC(O)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009113	0	40	0.0	-16.18	336.64	4.03	-12.15
O=C(NCC(O)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009114	0	37	0.0	-10.12	322.06	0.97	-9.15
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1O	REAL000000009115	0	37	0.0	-19.47	313.33	4.09	-15.38
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=C2C=CC=CC2=C1	REAL000000009116	1	43	0.0	-16.27	357.48	3.42	-12.85
O=C(CCC1=NNN=N1)NCC(O)C1=CC=C2C=CC=CC2=C1	REAL000000009117	1	40	0.0	-12.59	336.47	2.55	-10.05
O=C(NCC(O)C1=CC=C2C=CC=CC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009118	0	46	0.0	-17.83	382.64	6.28	-11.55
O=C(NCC(O)C1=CC=C2C=CC=CC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009119	0	43	0.0	-11.76	368.56	3.12	-8.64
O=C(CCCC1=NN=N[N-]1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL000000009120	0	49	0.0	-74.49	388.19	3.37	-71.12
O=C(CCCC1=NN=N[N-]1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL000000009120	1	49	0.0	-74.39	387.87	3.43	-70.96
O=C(CCCC1=N[N-]N=N1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL000000009120	1	49	0.0	-74.47	388.14	3.37	-71.10
O=C(CCCC1=N[N-]N=N1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL000000009120	1	49	0.0	-74.38	387.82	3.42	-70.96
O=C(CCC1=NN=N[N-]1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL000000009121	0	46	0.0	-67.15	366.70	2.60	-64.56
O=C(CCC1=NN=N[N-]1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL000000009121	1	46	0.0	-67.09	366.38	2.65	-64.44
O=C(CCC1=N[N-]N=N1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL000000009121	1	46	0.0	-67.14	366.64	2.59	-64.55
O=C(CCC1=N[N-]N=N1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL000000009121	1	46	0.0	-67.08	366.32	2.64	-64.44
O=C(CCCC1=NNN=N1)NCC(O)COCC1=CC=CC=C1	REAL000000009124	1	44	0.0	-15.64	370.46	1.24	-14.40
O=C(CCC1=NNN=N1)NCC(O)COCC1=CC=CC=C1	REAL000000009125	1	41	0.0	-12.21	348.67	0.51	-11.70
O=C(NCC(O)COCC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009126	0	44	0.0	-11.85	380.76	1.08	-10.76
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC(F)=C1	REAL000000009127	1	41	0.0	-16.41	351.02	0.91	-15.50
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=CC(F)=C1	REAL000000009128	1	38	0.0	-13.32	329.82	0.06	-13.26
O=C(NCC(O)COC1=CC=CC(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009129	0	44	0.0	-17.73	376.17	3.75	-13.98
O=C(NCC(O)COC1=CC=CC(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009130	0	41	0.0	-12.85	361.62	0.69	-12.16
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=CC=C1Cl	REAL000000009131	1	37	0.0	-14.92	324.97	1.63	-13.29
O=C(NCC(O)C1=CC=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009132	0	40	0.0	-16.68	350.82	4.38	-12.30
O=C(NCC(O)C1=CC=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009133	0	37	0.0	-10.71	335.96	1.35	-9.37
O=C(NCC(O)C1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009134	0	40	0.0	-17.46	343.53	4.01	-13.44
O=C(NCC(O)C1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009135	0	37	0.0	-11.33	329.00	0.95	-10.39
O=C(NCC(O)C1=CC=CO1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009136	0	37	0.0	-17.09	320.33	2.20	-14.89
O=C(NCC(O)C1=CC=CO1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009137	0	34	0.0	-10.96	306.17	-1.05	-12.00
COC1=CC(OC)=CC(C(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009138	1	45	0.0	-17.13	370.97	-0.28	-17.41
COC1=CC(OC)=CC(C(O)CNC(=O)CCC2=NNN=N2)=C1	REAL000000009139	1	42	0.0	-13.26	348.98	-0.99	-14.25
COC1=CC(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC(OC)=C1	REAL000000009140	0	48	0.0	-18.70	396.51	2.53	-16.17
COC1=CC(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC(OC)=C1	REAL000000009141	0	45	0.0	-12.49	381.56	-0.50	-12.99
O=C(CCCC1=NNN=N1)NCC1=CC=CC2=C1OCCCO2	REAL000000009142	1	42	0.0	-17.22	344.34	3.45	-13.77
O=C(CCC1=NNN=N1)NCC1=CC=CC2=C1OCCCO2	REAL000000009143	1	39	0.0	-11.96	322.87	2.67	-9.30
O=C(NCC1=CC=CC2=C1OCCCO2)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009144	0	45	0.0	-16.98	369.49	6.29	-10.68
O=C(NCC1=CC=CC2=C1OCCCO2)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009145	0	42	0.0	-12.13	354.95	3.23	-8.91
CC1=NC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2N1	REAL000000009146	0	39	0.0	-26.10	329.41	5.75	-20.35
CC1=NC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2N1	REAL000000009146	1	39	0.0	-20.50	329.32	5.74	-14.76
CC1=NC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2N1	REAL000000009147	0	36	0.0	-13.52	315.11	2.66	-10.86
CC1=NC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C2N1	REAL000000009147	1	36	0.0	-14.35	315.02	2.67	-11.68
O=C(NC1=CC=C2NC(C3CCCO3)=NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009150	0	47	0.0	-20.43	386.85	5.84	-14.59
O=C(NC1=CC=C2N=C(C3CCCO3)NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009150	1	47	0.0	-22.40	386.74	5.84	-16.56
O=C(NC1=CC=C2NC(C3CCCO3)=NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009151	0	44	0.0	-14.65	371.90	2.82	-11.83
O=C(NC1=CC=C2N=C(C3CCCO3)NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009151	1	44	0.0	-15.34	371.80	2.81	-12.52
O=C(CCCC1=NNN=N1)NC1=CC=C(F)C=C1OC1CCCC1	REAL000000009152	1	44	0.0	-12.48	356.65	5.82	-6.65
O=C(CCC1=NNN=N1)NC1=CC=C(F)C=C1OC1CCCC1	REAL000000009153	1	41	0.0	-8.77	334.07	4.99	-3.78
O=C(NC1=CC=C(F)C=C1OC1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009154	0	47	0.0	-13.63	381.94	8.63	-5.00
O=C(NC1=CC=C(F)C=C1OC1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009155	0	44	0.0	-8.04	367.07	5.57	-2.47
O=C(CCCC1=NNN=N1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009156	1	43	0.0	-14.04	341.69	7.05	-6.99
O=C(CCC1=NNN=N1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009157	1	40	0.0	-9.88	320.19	6.27	-3.61
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009158	0	46	0.0	-14.41	366.02	9.48	-4.93
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCC1C1=CC=C(F)C=C1F	REAL000000009159	0	43	0.0	-9.59	349.80	7.23	-2.36
CC1=CC=CC=C1C1=NC(CNC(=O)CCCC2=NNN=N2)=NO1	REAL000000009160	1	41	0.0	-14.86	348.93	2.50	-12.35
CC1=CC=CC=C1C1=NC(CNC(=O)CCC2=NNN=N2)=NO1	REAL000000009161	1	38	0.0	-11.31	327.44	1.71	-9.59
CC1=CC=CC=C1C1=NC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=NO1	REAL000000009162	0	44	0.0	-15.99	374.11	5.35	-10.64
CC1=CC=CC=C1C1=NC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=NO1	REAL000000009163	0	41	0.0	-10.88	359.55	2.28	-8.59
CC1=CC=NC(OC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C2)=N1	REAL000000009164	1	42	0.0	-21.64	359.05	2.44	-19.20
CC1=CC=NC(OC2=CC=C(NC(=O)CCC3=NNN=N3)C=C2)=N1	REAL000000009165	1	39	0.0	-17.75	337.85	1.57	-16.17
CC1=CC=NC(OC2=CC=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=C2)=N1	REAL000000009166	0	45	0.0	-22.93	384.88	5.15	-17.77
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)CCCC3=NNN=N3)C=CC=C21	REAL000000009168	1	51	0.0	-20.21	402.16	6.24	-13.97
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)CCC3=NNN=N3)C=CC=C21	REAL000000009169	1	48	0.0	-15.71	381.53	5.46	-10.25
O=C(CCCC1=NNN=N1)NC1COC2=C(Cl)C=CC=C21	REAL000000009172	1	35	0.0	-15.66	312.98	3.20	-12.46
O=C(NC1COC2=C(Cl)C=CC=C21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009173	0	38	0.0	-16.35	338.13	6.05	-10.30
O=C(NC1COC2=C(Cl)C=CC=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009174	0	35	0.0	-10.10	323.58	2.99	-7.11
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCC2CCCO2)=C1	REAL000000009175	1	51	0.0	-17.36	411.30	4.89	-12.47
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCC2CCCO2)=C1	REAL000000009176	1	48	0.0	-13.37	389.79	4.10	-9.27
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCC2CCCO2)=C1	REAL000000009177	0	51	0.0	-13.12	421.89	4.67	-8.45
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OCCCC(C)C)=C1	REAL000000009178	1	55	0.0	-13.73	436.28	7.32	-6.41
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OCCCC(C)C)=C1	REAL000000009179	1	52	0.0	-9.99	414.78	6.54	-3.45
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OCCCC(C)C)=C1	REAL000000009180	0	55	0.0	-9.72	446.88	7.10	-2.61
COC1=CC=C(OC)C(C(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009181	1	45	0.0	-16.57	369.29	-0.18	-16.75
COC1=CC=C(OC)C(C(O)CNC(=O)CCC2=NNN=N2)=C1	REAL000000009182	1	42	0.0	-12.83	347.79	-0.96	-13.79
COC1=CC=C(OC)C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009183	0	48	0.0	-18.21	394.42	2.67	-15.53
COC1=CC=C(OC)C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009184	0	45	0.0	-12.19	379.89	-0.40	-12.58
CC(C)COCC(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009185	0	46	0.0	-15.30	377.01	2.61	-12.69
CC(C)COCC(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009186	0	43	0.0	-10.10	362.75	-0.51	-10.61
COC1=CC=CC=C1C(O)CNC(=O)CCCC1=NNN=N1	REAL000000009187	1	41	0.0	-15.69	339.51	0.59	-15.10
COC1=CC=CC=C1C(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009188	0	44	0.0	-17.36	364.95	3.37	-13.98
COC1=CC=CC=C1C(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009189	0	41	0.0	-11.42	350.42	0.31	-11.11
CC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000009190	0	43	0.0	-16.23	358.05	4.71	-11.52
CC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009191	0	40	0.0	-10.23	344.00	1.55	-8.68
COC1=CC=C(C(O)CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000009192	1	41	0.0	-16.34	340.96	0.49	-15.85
COC1=CC=C(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000009193	0	44	0.0	-17.92	366.61	3.26	-14.66
COC1=CC=C(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009194	0	41	0.0	-11.82	352.09	0.19	-11.63
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=C1O	REAL000000009195	0	40	0.0	-16.31	329.77	5.08	-11.23
CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)=C1O	REAL000000009196	0	37	0.0	-10.01	315.59	2.05	-7.95
O=C(NCC(O)C1CCCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009197	0	46	0.0	-14.29	356.67	4.22	-10.08
O=C(NCC(O)C1CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009198	0	43	0.0	-8.44	342.12	1.14	-7.30
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC=C1	REAL000000009199	1	41	0.0	-15.50	344.61	0.84	-14.66
O=C(NCC(O)COC1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009200	0	44	0.0	-16.97	370.06	3.63	-13.34
O=C(NCC(O)COC1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009201	0	41	0.0	-11.70	355.20	0.62	-11.08
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC(C(F)(F)F)=C1	REAL000000009202	1	44	0.0	-16.62	383.62	1.78	-14.84
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=CC(C(F)(F)F)=C1	REAL000000009203	1	41	0.0	-13.48	362.12	0.98	-12.50
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C(F)C=C1	REAL000000009204	1	41	0.0	-15.93	351.32	0.84	-15.09
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C(F)C=C1	REAL000000009205	1	38	0.0	-12.53	329.52	0.12	-12.41
O=C(NCC(O)COC1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009206	0	44	0.0	-17.32	376.47	3.70	-13.63
O=C(NCC(O)COC1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009207	0	41	0.0	-12.06	361.61	0.68	-11.38
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C(C(F)(F)F)C=C1	REAL000000009208	1	44	0.0	-15.99	383.62	1.78	-14.21
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C(C(F)(F)F)C=C1	REAL000000009209	1	41	0.0	-12.64	361.82	1.05	-11.60
CC1=CC=CC(C)=C1OCC(O)CNC(=O)CCCC1=NNN=N1	REAL000000009210	1	47	0.0	-15.40	386.66	2.30	-13.11
CC1=CC=CC(C)=C1OCC(O)CNC(=O)CCC1=NNN=N1	REAL000000009211	1	44	0.0	-11.96	365.16	1.51	-10.45
CC1=CC=CC(C)=C1OCC(O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009212	0	50	0.0	-16.72	411.56	5.20	-11.51
CC1=CC=CC(C)=C1OCC(O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009213	0	47	0.0	-11.32	396.96	2.14	-9.18
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C2NC(=O)CCC2=C1	REAL000000009214	1	49	0.0	-19.99	404.75	-0.05	-20.04
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C2NC(=O)CCC2=C1	REAL000000009215	1	46	0.0	-16.59	382.95	-0.77	-17.36
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=C2OCOC2=C1	REAL000000009216	1	44	0.0	-18.47	370.67	-0.51	-18.98
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=C2OCOC2=C1	REAL000000009217	1	41	0.0	-15.37	349.48	-1.35	-16.72
O=C(NCC(O)COC1=CC=C2OCOC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009218	0	47	0.0	-19.85	395.83	2.34	-17.51
O=C(NCC(O)COC1=CC=C2OCOC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009219	0	44	0.0	-14.89	381.27	-0.73	-15.62
O=C(CCCC1=NNN=N1)NCC(O)COC1=CC=CC(Cl)=C1Cl	REAL000000009220	1	41	0.0	-17.32	375.82	1.86	-15.46
O=C(CCC1=NNN=N1)NCC(O)COC1=CC=CC(Cl)=C1Cl	REAL000000009221	1	38	0.0	-14.29	354.31	1.08	-13.21
O=C(CCCC1=NNN=N1)NCC(O)C1=CC=CC=C1C(F)(F)F	REAL000000009222	1	40	0.0	-15.72	338.58	1.85	-13.86
O=C(CCC1=NNN=N1)NCC(O)C1=CC=CC=C1C(F)(F)F	REAL000000009223	1	37	0.0	-12.23	317.08	1.07	-11.16
O=C(NCC(O)C1=CC=CC=C1C(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009224	0	43	0.0	-17.43	364.15	4.64	-12.79
O=C(NCC(O)C1=CC=CC=C1C(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009225	0	40	0.0	-11.68	349.15	1.64	-10.04
O=C(NCC(O)C1=CC=CC(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009226	0	40	0.0	-17.34	343.05	4.10	-13.24
O=C(NCC(O)C1=CC=CC(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009227	0	37	0.0	-11.36	328.98	0.95	-10.41
O=C(NCC(O)COCC1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009228	0	44	0.0	-15.63	367.07	2.70	-12.93
O=C(NCC(O)COCC1CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009229	0	41	0.0	-10.49	352.82	-0.43	-10.92
COC1=CC=CC(C(O)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009230	1	41	0.0	-16.26	341.47	0.41	-15.85
COC1=CC=CC(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009231	0	44	0.0	-17.78	366.14	3.34	-14.44
COC1=CC=CC(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009232	0	41	0.0	-11.76	352.07	0.19	-11.57
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009233	0	48	0.0	-71.70	373.41	6.15	-65.55
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL000000009233	1	48	0.0	-71.53	381.00	6.57	-64.96
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009233	1	48	0.0	-71.68	373.35	6.15	-65.53
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL000000009233	1	48	0.0	-71.51	380.94	6.57	-64.94
CC1CC(NC(=O)CCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009234	0	45	0.0	-62.03	351.98	5.35	-56.68
CC1CC(NC(=O)CCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL000000009234	1	45	0.0	-62.68	359.50	5.79	-56.89
CC1CC(NC(=O)CCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL000000009234	1	45	0.0	-62.02	351.93	5.34	-56.67
CC1CC(NC(=O)CCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL000000009234	1	45	0.0	-62.68	359.44	5.79	-56.88
CCC(NC(=O)CCCC1=NNN=N1)C(O)C1=CC=CC=C1F	REAL000000009237	1	43	0.0	-15.65	344.16	2.66	-12.99
CCC(NC(=O)CCC1=NNN=N1)C(O)C1=CC=CC=C1F	REAL000000009238	1	40	0.0	-12.10	322.68	1.87	-10.22
CCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=CC=CC=C1F	REAL000000009239	0	46	0.0	-17.77	369.28	5.51	-12.26
CCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=CC=CC=C1F	REAL000000009240	0	43	0.0	-11.53	354.76	2.44	-9.09
CCC(NC(=O)CCCC1=NNN=N1)C(O)C1=C(F)C=CC=C1F	REAL000000009241	1	43	0.0	-13.76	343.19	2.68	-11.08
CCC(NC(=O)CCC1=NNN=N1)C(O)C1=C(F)C=CC=C1F	REAL000000009242	1	40	0.0	-10.31	321.96	1.88	-8.43
CCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=C(F)C=CC=C1F	REAL000000009243	0	46	0.0	-15.52	368.25	5.53	-9.99
CCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=C(F)C=CC=C1F	REAL000000009244	0	43	0.0	-9.76	362.89	4.04	-5.72
CC(NC(=O)CCCC1=NNN=N1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009245	1	40	0.0	-14.19	337.89	2.42	-11.77
CC(NC(=O)CCC1=NNN=N1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009246	1	37	0.0	-10.49	316.39	1.64	-8.84
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009247	0	43	0.0	-15.43	364.51	6.41	-9.02
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=C(F)C=CC=C1Cl	REAL000000009248	0	40	0.0	-10.06	348.94	2.26	-7.80
CC(NC(=O)CCCC1=NNN=N1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009249	1	40	0.0	-14.03	343.58	2.96	-11.07
CC(NC(=O)CCC1=NNN=N1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009250	1	37	0.0	-9.64	318.09	3.04	-6.60
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=C(Cl)C=CC=C1Cl	REAL000000009251	0	40	0.0	-9.77	353.97	2.70	-7.06
CC(NC(=O)CCCC1=NNN=N1)C(O)C1=CC=CC(F)=C1	REAL000000009252	1	40	0.0	-17.97	330.86	2.69	-15.28
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(O)C1=CC=CC(F)=C1	REAL000000009253	0	43	0.0	-17.68	355.48	4.85	-12.83
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(O)C1=CC=CC(F)=C1	REAL000000009254	0	40	0.0	-11.47	339.90	1.78	-9.69
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCCC2=NNN=N2)C1	REAL000000009255	1	47	0.0	-16.11	371.30	2.69	-13.42
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCC2=NNN=N2)C1	REAL000000009256	1	44	0.0	-11.99	349.80	1.91	-10.08
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009257	0	50	0.0	-18.20	392.09	5.05	-13.15
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009258	0	47	0.0	-13.94	378.72	2.96	-10.98
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2C(=O)CCCC1=NNN=N1	REAL000000009259	1	57	0.0	-14.87	421.16	5.08	-9.79
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2C(=O)CCC1=NNN=N1	REAL000000009260	1	54	0.0	-11.01	399.62	4.29	-6.72
COC1=CC2=C(CCN(C(=O)CCCC3=NNN=N3)CC2)C(OC)=C1OC	REAL000000009261	1	52	0.0	-20.17	406.40	5.69	-14.49
COC1=CC2=C(CCN(C(=O)CCC3=NNN=N3)CC2)C(OC)=C1OC	REAL000000009262	1	49	0.0	-15.14	384.88	4.90	-10.24
COCCCS(=O)(=O)N1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000009263	1	48	0.0	-23.90	391.77	0.90	-23.00
COCCCS(=O)(=O)N1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000009264	1	45	0.0	-19.72	370.27	0.12	-19.60
COCCCS(=O)(=O)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009265	0	48	0.0	-18.17	399.45	1.12	-17.04
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1	REAL000000009266	1	41	0.0	-12.86	358.46	6.47	-6.39
O=C(CCC1=NNN=N1)NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1	REAL000000009267	1	38	0.0	-9.55	336.97	5.69	-3.86
O=C(NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009268	0	41	0.0	-9.09	369.06	6.26	-2.83
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2OCCCC2C1	REAL000000009269	0	44	0.0	-16.44	337.76	6.17	-10.27
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2OCCCC2C1	REAL000000009270	0	41	0.0	-9.72	321.55	3.94	-5.77
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)CCCC1=NNN=N1	REAL000000009271	1	43	0.0	-20.43	346.95	3.41	-17.02
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)CCC1=NNN=N1	REAL000000009272	1	40	0.0	-17.75	323.14	2.30	-15.45
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009273	0	46	0.0	-23.20	372.69	5.65	-17.55
C[C@H](C1=CC=CC=C1)N(CC(N)=O)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009274	0	43	0.0	-15.33	351.73	4.15	-11.17
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)CCCC1=NNN=N1	REAL000000009275	1	55	0.0	-14.50	425.77	3.53	-10.97
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)CCC1=NNN=N1	REAL000000009276	1	52	0.0	-11.14	404.26	2.75	-8.38
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009277	0	55	0.0	-10.19	436.36	3.31	-6.88
O=C(CCCC1=NNN=N1)N1CCN(C2=CC=CS2)CC1	REAL000000009278	1	39	0.0	-14.74	321.79	3.78	-10.96
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(C2=CC=CS2)CC1	REAL000000009279	0	42	0.0	-16.29	344.58	6.25	-10.04
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(C2=CC=CS2)CC1	REAL000000009280	0	39	0.0	-9.33	329.45	4.02	-5.31
COC1=CC(OC)=CC(OCCCN(C)C(=O)CCCC2=NNN=N2)=C1	REAL000000009281	1	51	0.0	-18.80	411.06	4.62	-14.18
COC1=CC(OC)=CC(OCCCN(C)C(=O)CCC2=NNN=N2)=C1	REAL000000009282	1	48	0.0	-14.68	389.29	3.83	-10.85
COC1=CC(OCCCN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC(OC)=C1	REAL000000009283	0	51	0.0	-14.18	419.14	4.97	-9.21
O=C(CCCC1=NNN=N1)NC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL000000009284	1	48	0.0	-18.92	387.77	2.82	-16.10
O=C(CCC1=NNN=N1)NC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL000000009285	1	45	0.0	-15.13	366.27	2.04	-13.09
O=C(NC1=CC=C(C(=O)NC2CCOCC2)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009286	0	48	0.0	-16.02	398.04	2.62	-13.39
COC1=CC=C(N2CCN(C(=O)CCCC3=NNN=N3)CC2)C=C1F	REAL000000009287	1	46	0.0	-17.30	364.54	3.97	-13.33
COC1=CC=C(N2CCN(C(=O)CCC3=NNN=N3)CC2)C=C1F	REAL000000009288	1	43	0.0	-13.15	343.00	3.18	-9.98
COC1=CC=C(N2CCN(C(=O)C3=CC=CC(NC4=NNN=N4)=C3)CC2)C=C1F	REAL000000009289	0	49	0.0	-18.08	389.18	6.48	-11.61
COC1=CC=C(N2CCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)C=C1F	REAL000000009290	0	46	0.0	-12.29	372.18	4.21	-8.08
O=C(CCCC1=NNN=N1)N1CC2(CCCC2)C2=CC(Br)=CC=C21	REAL000000009291	1	44	0.0	-12.08	359.50	8.15	-3.93
O=C(CCC1=NNN=N1)N1CC2(CCCC2)C2=CC(Br)=CC=C21	REAL000000009292	1	41	0.0	-7.86	338.01	7.37	-0.49
CCC(CC1=CC=CC=C1)N(CC)C(=O)CCCC1=NNN=N1	REAL000000009293	1	48	0.0	-14.48	370.40	8.50	-5.98
CCC(CC1=CC=CC=C1)N(CC)C(=O)CCC1=NNN=N1	REAL000000009294	1	45	0.0	-10.14	348.29	7.68	-2.45
CCC(CC1=CC=CC=C1)N(CC)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009295	0	51	0.0	-18.64	388.22	11.02	-7.62
CCC(CC1=CC=CC=C1)N(CC)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009296	0	48	0.0	-10.36	374.27	9.68	-0.68
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL000000009297	0	48	0.0	-57.34	373.48	7.23	-50.11
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL000000009297	1	48	0.0	-57.32	373.42	7.23	-50.09
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL000000009298	0	45	0.0	-54.47	352.98	6.50	-47.98
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL000000009298	1	45	0.0	-54.46	352.92	6.50	-47.96
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)CCCC1=NNN=N1	REAL000000009301	1	48	0.0	-18.55	391.64	7.88	-10.67
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)CCC1=NNN=N1	REAL000000009302	1	45	0.0	-14.63	370.14	7.10	-7.53
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009303	0	51	0.0	-22.67	417.12	10.43	-12.24
COC(=O)CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009304	0	48	0.0	-14.86	401.97	8.84	-6.02
O=C(CCCC1=NNN=N1)NC1CCOC2(CCSC2)C1	REAL000000009305	1	42	0.0	-16.25	333.63	2.89	-13.36
O=C(NC1CCOC2(CCSC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009306	0	45	0.0	-16.85	358.84	5.73	-11.12
O=C(NC1CCOC2(CCSC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009307	0	42	0.0	-9.44	344.72	2.66	-6.78
O=C(CCCC1=NNN=N1)NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1	REAL000000009308	1	43	0.0	-18.35	363.59	8.00	-10.35
O=C(CCC1=NNN=N1)NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1	REAL000000009309	1	40	0.0	-14.38	342.09	7.22	-7.16
O=C(NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009310	0	46	0.0	-18.98	388.47	10.87	-8.12
O=C(NC1=CC=C2C(=C1)N=CN2C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009311	0	43	0.0	-13.02	374.18	7.78	-5.24
CC(C)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(C)C	REAL000000009312	0	44	0.0	-14.39	326.67	6.27	-8.12
O=C(CCCC1=NNN=N1)NC1(C2=CC=C3OCOC3=C2)CC1	REAL000000009313	1	40	0.0	-15.63	336.69	3.42	-12.21
O=C(CCC1=NNN=N1)NC1(C2=CC=C3OCOC3=C2)CC1	REAL000000009314	1	37	0.0	-14.48	309.62	2.57	-11.91
O=C(NC1(C2=CC=C3OCOC3=C2)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009315	0	43	0.0	-19.75	358.54	6.32	-13.43
O=C(NC1(C2=CC=C3OCOC3=C2)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009316	0	40	0.0	-11.11	347.29	3.20	-7.91
O=C(CCCC1=NNN=N1)NCCNC(=O)C1=CC=CC=C1F	REAL000000009317	1	40	0.0	-21.86	343.65	2.02	-19.83
O=C(CCC1=NNN=N1)NCCNC(=O)C1=CC=CC=C1F	REAL000000009318	1	37	0.0	-18.65	322.16	1.24	-17.40
O=C(NCCNC(=O)C1=CC=CC=C1F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009319	0	43	0.0	-22.93	368.81	4.88	-18.05
O=C(NCCNC(=O)C1=CC=CC=C1F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009320	0	40	0.0	-17.88	354.25	1.81	-16.07
CC(C)CCC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009321	0	51	0.0	-15.12	383.29	9.46	-5.66
CC(C)CCC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009322	0	48	0.0	-8.52	367.92	7.18	-1.34
O=C(CCCC1=NNN=N1)N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL000000009323	1	41	0.0	-18.06	364.90	6.28	-11.78
O=C(CCC1=NNN=N1)N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL000000009324	1	38	0.0	-11.16	344.42	5.53	-5.63
COC1=CC=C2CC(C3=CC=CC=C3)N(C(=O)CCCC3=NNN=N3)CC2=C1	REAL000000009325	1	51	0.0	-14.11	398.20	8.40	-5.71
COC1=CC=C2CC(C3=CC=CC=C3)N(C(=O)CCC3=NNN=N3)CC2=C1	REAL000000009326	1	48	0.0	-10.65	376.61	7.60	-3.05
CC(C1=CC=CC=C1)N1C=CC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000009327	1	43	0.0	-16.42	353.99	6.26	-10.16
CC(C1=CC=CC=C1)N1C=CC(NC(=O)CCC2=NNN=N2)=N1	REAL000000009328	1	40	0.0	-12.69	332.49	5.48	-7.21
CC(C1=CC=CC=C1)N1C=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009329	0	46	0.0	-17.25	379.13	9.11	-8.14
CC(C1=CC=CC=C1)N1C=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009330	0	43	0.0	-12.04	364.56	6.04	-6.00
O=C(CCCC1=NNN=N1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL000000009331	1	45	0.0	-18.73	370.20	1.41	-17.32
O=C(CCC1=NNN=N1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL000000009332	1	42	0.0	-16.99	349.18	0.61	-16.38
O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009333	0	48	0.0	-22.77	395.83	4.23	-18.54
O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009334	0	45	0.0	-14.54	380.80	1.20	-13.35
CCOC(=O)C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCC1=NNN=N1	REAL000000009335	1	42	0.0	-13.94	389.98	6.65	-7.29
O=C(CCC1=NNN=N1)N1CCC2(CC1)OCC1=CC=CC=C12	REAL000000009337	1	42	0.0	-10.47	331.49	5.17	-5.30
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2(CC1)OCC1=CC=CC=C12	REAL000000009338	0	48	0.0	-15.30	376.44	8.42	-6.88
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2(CC1)OCC1=CC=CC=C12	REAL000000009339	0	45	0.0	-10.02	361.01	6.18	-3.83
COC(=O)C1(C)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009340	0	42	0.0	-18.14	339.31	6.22	-11.92
COC(=O)C1(C)CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009341	0	39	0.0	-10.57	325.75	4.24	-6.33
CCOC(=O)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=N1	REAL000000009342	1	38	0.0	-18.78	329.10	3.16	-15.62
CCOC(=O)C1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=N1	REAL000000009343	0	41	0.0	-18.86	355.02	5.95	-12.90
CCOC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=N1	REAL000000009344	0	38	0.0	-12.06	339.70	2.94	-9.12
O=C(NC1CCC(=O)C2=CC=CC=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009345	0	39	0.0	-11.72	329.04	4.09	-7.63
O=C(NC1=CNN=C1C1=CC=CC=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009346	0	39	0.0	-17.06	334.28	4.89	-12.17
O=C(NC1=CNN=C1C1=CC=CC=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009347	0	36	0.0	-12.40	319.73	1.83	-10.57
O=C(CCCC1=NNN=N1)NC1CCC(O)(C(F)(F)F)CC1	REAL000000009348	1	40	0.0	-14.03	325.74	1.38	-12.65
O=C(CCC1=NNN=N1)NC1CCC(O)(C(F)(F)F)CC1	REAL000000009349	1	37	0.0	-10.59	308.67	0.19	-10.40
O=C(NC1CCC(O)(C(F)(F)F)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009350	0	43	0.0	-15.97	355.32	3.83	-12.14
O=C(NC1CCC(O)(C(F)(F)F)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009351	0	40	0.0	-9.98	336.35	1.17	-8.80
N#CC1=CC=CC(C2=CNC(CNC(=O)CCCC3=NNN=N3)=N2)=C1	REAL000000009352	1	41	0.0	-22.44	362.33	4.15	-18.28
N#CC1=CC=CC(C2=CNC(CNC(=O)CCC3=NNN=N3)=N2)=C1	REAL000000009353	1	38	0.0	-18.54	340.83	3.38	-15.16
N#CC1=CC=CC(C2=CNC(CNC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=N2)=C1	REAL000000009354	0	44	0.0	-23.73	387.87	6.97	-16.76
N#CC1=CC=CC(C2=CNC(CNC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)=C1	REAL000000009355	0	41	0.0	-18.25	372.92	3.94	-14.32
CC1CN(C(=O)CCCC2=NNN=N2)CC(C2=CSC=C2)O1	REAL000000009356	1	41	0.0	-14.88	343.17	4.71	-10.17
CC1CN(C(=O)CCC2=NNN=N2)CC(C2=CSC=C2)O1	REAL000000009357	1	38	0.0	-10.28	321.68	3.93	-6.35
CC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC(C2=CSC=C2)O1	REAL000000009358	0	44	0.0	-10.43	368.39	7.11	-3.32
CC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC(C2=CSC=C2)O1	REAL000000009359	0	41	0.0	-9.68	350.78	4.95	-4.73
O=C(CCCC1=NNN=N1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009360	1	50	0.0	-13.94	381.00	6.13	-7.81
O=C(CCC1=NNN=N1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009361	1	47	0.0	-9.60	360.41	5.27	-4.33
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009362	0	53	0.0	-13.64	403.08	8.37	-5.28
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=CC=C1)CC1(O)CCCC1	REAL000000009363	0	50	0.0	-9.06	389.96	7.29	-1.77
CCC(CCO)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009364	0	42	0.0	-17.74	332.20	2.70	-15.04
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1OCC(F)F	REAL000000009365	1	37	0.0	-17.14	320.12	4.04	-13.10
O=C(NC1=CC=CC=C1OCC(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009366	0	40	0.0	-18.89	345.72	6.91	-11.98
O=C(NC1=CC=CC=C1OCC(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009367	0	37	0.0	-14.04	329.90	3.82	-10.22
CN1C=C(NC(=O)CCCC2=NNN=N2)C(C2=CC=CC=N2)=N1	REAL000000009368	1	39	0.0	-16.77	332.11	3.36	-13.42
CN1C=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C2=CC=CC=N2)=N1	REAL000000009369	0	42	0.0	-18.42	357.64	6.17	-12.25
CN1C=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C2=CC=CC=N2)=N1	REAL000000009370	0	39	0.0	-13.70	342.68	3.14	-10.56
O=C(CCCC1=NNN=N1)NCCOC1=NC=C(Cl)C=C1Cl	REAL000000009371	1	36	0.0	-13.61	342.74	1.61	-12.01
O=C(CCC1=NNN=N1)NCCOC1=NC=C(Cl)C=C1Cl	REAL000000009372	1	33	0.0	-10.24	321.25	0.82	-9.43
O=C(NCCOC1=NC=C(Cl)C=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009373	0	39	0.0	-15.37	367.90	4.45	-10.92
O=C(NCCOC1=NC=C(Cl)C=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009374	0	36	0.0	-9.72	353.34	1.39	-8.33
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCOCC1	REAL000000009375	0	43	0.0	-15.97	332.66	4.87	-11.10
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCOCC1	REAL000000009376	0	40	0.0	-9.69	323.97	2.06	-7.63
CC1(C2=CC=CC=C2)CN(C(=O)CCCC2=NNN=N2)CCO1	REAL000000009377	1	44	0.0	-15.08	343.40	5.69	-9.39
CC1(C2=CC=CC=C2)CN(C(=O)CCC2=NNN=N2)CCO1	REAL000000009378	1	41	0.0	-10.60	321.90	4.90	-5.70
CC1(C2=CC=CC=C2)CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCO1	REAL000000009379	0	47	0.0	-16.62	366.38	8.09	-8.53
CC1(C2=CC=CC=C2)CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCO1	REAL000000009380	0	44	0.0	-9.68	351.07	5.94	-3.74
CC1(O)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009381	0	40	0.0	-15.71	312.74	3.52	-12.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009382	0	52	0.0	-72.52	402.79	6.91	-65.61
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009382	1	52	0.0	-72.51	402.73	6.90	-65.61
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009383	0	49	0.0	-64.90	381.29	6.12	-58.79
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL000000009383	1	49	0.0	-64.90	381.23	6.12	-58.78
CC(C)CCC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009385	0	48	0.0	-14.94	359.54	8.51	-6.43
CC(C)CCC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009386	0	45	0.0	-9.34	351.71	6.63	-2.71
CCCC(C)C1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009387	0	48	0.0	-16.71	354.83	8.58	-8.13
CCCC(C)C1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009388	0	45	0.0	-9.38	345.89	7.04	-2.34
O=C(CCCC1=NNN=N1)NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1	REAL000000009389	1	39	0.0	-19.41	342.22	6.20	-13.22
O=C(CCC1=NNN=N1)NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1	REAL000000009390	1	36	0.0	-15.75	320.76	5.42	-10.33
O=C(CCCC1=NNN=N1)N[C@@H](CC1=CC=CC=C1)C(=O)OC1CCCC1	REAL000000009391	1	52	0.0	-12.20	414.90	7.84	-4.36
O=C(CCC1=NNN=N1)N[C@@H](CC1=CC=CC=C1)C(=O)OC1CCCC1	REAL000000009392	1	49	0.0	-9.43	393.46	7.06	-2.37
CC1=CNC(C2=CC=CC=C2NC(=O)CCCC2=NNN=N2)=N1	REAL000000009393	1	40	0.0	-15.80	332.48	5.33	-10.48
CC1=CNC(C2=CC=CC=C2NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009394	0	43	0.0	-18.50	357.22	8.17	-10.33
CC1=CNC(C2=CC=CC=C2NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009395	0	40	0.0	-14.04	343.05	5.11	-8.93
O=C(NC1=CC=C(OCCO)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009396	0	41	0.0	-19.27	345.06	3.32	-15.94
O=C(NC1=CC=C(OCCO)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009397	0	38	0.0	-12.49	329.76	0.32	-12.18
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC(CO)C1	REAL000000009400	0	38	0.0	-13.14	308.14	1.26	-11.88
COC1=CC=C(O)C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009401	0	41	0.0	-18.00	347.63	2.77	-15.23
COC1=CC=C(O)C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009402	0	38	0.0	-11.16	332.67	-0.26	-11.42
CN(C(=O)CCCC1=NNN=N1)C(CCO)C1=CC=CC=C1	REAL000000009403	1	43	0.0	-14.52	343.69	4.32	-10.21
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(CCO)C1=CC=CC=C1	REAL000000009404	0	46	0.0	-17.83	365.93	5.82	-12.01
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C(CCO)C1=CC=CC=C1	REAL000000009405	0	43	0.0	-9.83	350.88	4.57	-5.26
CCC(CO)NC(=O)CC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000009406	1	50	0.0	-20.45	410.76	1.71	-18.74
CCC(CO)NC(=O)CC1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000009407	1	47	0.0	-16.26	389.26	0.93	-15.33
CCC(CO)NC(=O)CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009408	0	50	0.0	-16.41	421.35	1.49	-14.92
O=C(NCC1=CC=C(O)C(F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009409	0	37	0.0	-16.78	324.92	3.54	-13.24
O=C(NCC1=CC=C(O)C(F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009410	0	34	0.0	-11.21	310.36	0.48	-10.73
O=C(CCCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009411	0	52	0.0	-63.62	396.26	3.51	-60.10
O=C(CCCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009411	1	52	0.0	-65.22	407.31	4.11	-61.11
O=C(CCCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009411	1	52	0.0	-63.59	396.20	3.50	-60.09
O=C(CCCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009411	1	52	0.0	-65.19	407.25	4.11	-61.09
O=C(CCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009412	0	49	0.0	-58.61	385.86	3.33	-55.28
O=C(CCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009412	1	49	0.0	-58.87	381.13	3.82	-55.04
O=C(CCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009412	1	49	0.0	-58.60	385.81	3.33	-55.27
O=C(CCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL000000009412	1	49	0.0	-58.85	381.07	3.82	-55.03
O=C(NC1CN(CC2=CC=CC=C2)CCC1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009413	1	52	0.0	-9.90	418.06	1.50	-8.40
CCOC(=O)C(NC(=O)CCCC1=NNN=N1)C1=CC=CC(O)=C1	REAL000000009414	1	43	0.0	-18.24	367.05	2.63	-15.61
CCOC(=O)C(NC(=O)CCC1=NNN=N1)C1=CC=CC(O)=C1	REAL000000009415	1	40	0.0	-12.24	346.79	1.97	-10.27
CCOC(=O)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC(O)=C1	REAL000000009416	0	46	0.0	-16.17	393.43	5.61	-10.56
CCOC(=O)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(O)=C1	REAL000000009417	0	43	0.0	-13.57	377.63	2.41	-11.16
O=C(NCC1=CC=C(O)C(O)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009418	0	35	0.0	-12.29	314.89	-1.67	-13.95
O=C(CCCC1=NNN=N1)NCC1=C(O)C=CC2=C1CCCC2	REAL000000009419	1	44	0.0	-15.08	350.44	3.02	-12.06
O=C(CCC1=NNN=N1)NCC1=C(O)C=CC2=C1CCCC2	REAL000000009420	1	41	0.0	-10.98	328.95	2.24	-8.74
O=C(NCC1=C(O)C=CC2=C1CCCC2)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009421	0	47	0.0	-16.46	375.58	5.86	-10.60
O=C(NCC1=C(O)C=CC2=C1CCCC2)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009422	0	44	0.0	-9.95	361.04	2.80	-7.15
O=C(CCCC1=NNN=N1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009423	1	45	0.0	-15.38	353.19	5.49	-9.90
O=C(CCC1=NNN=N1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009424	1	42	0.0	-11.74	331.43	4.69	-7.05
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009425	0	48	0.0	-18.56	375.76	7.95	-10.61
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC(NC2=CC=CC=C2)C1	REAL000000009426	0	45	0.0	-10.93	360.61	5.69	-5.24
NC1=NC=NC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009427	0	36	0.0	-15.24	309.94	3.14	-12.11
O=C(CCCC1=NNN=N1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009428	1	43	0.0	-14.75	338.92	2.01	-12.74
O=C(CCC1=NNN=N1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009429	1	40	0.0	-10.89	322.47	1.27	-9.62
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009430	0	46	0.0	-17.41	367.20	4.53	-12.88
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(C2=CC=CC=C2O)CC1	REAL000000009431	0	43	0.0	-10.57	351.99	2.26	-8.32
O=C(CCCC1=NNN=N1)NCC1=CC=C(O)C(Br)=C1	REAL000000009432	1	34	0.0	-14.45	313.96	1.29	-13.16
O=C(CCC1=NNN=N1)NCC1=CC=C(O)C(Br)=C1	REAL000000009433	1	31	0.0	-11.08	292.46	0.51	-10.57
O=C(NCC1=CC=C(O)C(Br)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009434	0	37	0.0	-15.78	339.11	4.14	-11.64
O=C(NCC1=CC=C(O)C(Br)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009435	0	34	0.0	-10.21	324.55	1.08	-9.13
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)CCCC1=NNN=N1	REAL000000009436	1	40	0.0	-13.45	345.39	5.39	-8.05
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)CCC1=NNN=N1	REAL000000009437	1	37	0.0	-12.30	324.17	4.61	-7.69
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009438	0	43	0.0	-15.30	369.73	7.87	-7.43
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009439	0	40	0.0	-11.58	352.98	5.74	-5.84
CCNC1=CC=C(S(=O)(=O)C(F)(F)F)C=C1NC(=O)CCC1=NNN=N1	REAL000000009440	1	41	0.0	-15.49	369.33	0.64	-14.85
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)CCCC1=NNN=N1	REAL000000009441	1	47	0.0	-22.09	386.80	4.88	-17.20
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)CCC1=NNN=N1	REAL000000009442	1	44	0.0	-17.26	365.31	4.10	-13.16
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009443	0	50	0.0	-23.97	412.45	7.75	-16.22
CCNC1=CC=C(C(=O)OCC)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009444	0	47	0.0	-15.52	397.42	4.66	-10.85
O=C(CCCC1=NNN=N1)NC1=CC(Cl)=CC=C1NCC1=CC=CC=C1	REAL000000009445	1	45	0.0	-15.74	387.02	6.79	-8.94
O=C(CCC1=NNN=N1)NC1=CC(Cl)=CC=C1NCC1=CC=CC=C1	REAL000000009446	1	42	0.0	-11.50	365.52	6.01	-5.49
O=C(CCC1=NNN=N1)NC1=CC(C(F)(F)F)=CC=C1NCC1=CC=CC=C1	REAL000000009447	1	45	0.0	-12.55	387.83	6.51	-6.04
CCNC1=CC=C(S(=O)(=O)N(CC)CC)C=C1NC(=O)CCC1=NNN=N1	REAL000000009448	1	52	0.0	-18.92	424.63	2.25	-16.67
CC1=CC=CC(C(O)CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009449	0	43	0.0	-16.30	358.53	4.62	-11.68
CC1=CC=CC(C(O)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009450	0	40	0.0	-10.14	343.49	1.63	-8.51
O=C(CCCC1=NNN=N1)NCC(CO)CC1=CC=C(OC(F)(F)F)C=C1	REAL000000009451	1	47	0.0	-14.92	394.44	2.64	-12.28
O=C(CCC1=NNN=N1)NCC(CO)CC1=CC=C(OC(F)(F)F)C=C1	REAL000000009452	1	44	0.0	-12.20	371.96	1.84	-10.35
COC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=N1	REAL000000009453	0	39	0.0	-16.92	328.00	3.82	-13.10
COC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)=N1	REAL000000009454	0	36	0.0	-10.12	312.13	0.69	-9.43
CC1=CC=CC(C(O)CN(CC2=CC=CC=C2)C(=O)CCCC2=NNN=N2)=C1	REAL000000009455	1	53	0.0	-16.45	422.17	7.75	-8.71
CC1=CC=CC(C(O)CN(CC2=CC=CC=C2)C(=O)CCC2=NNN=N2)=C1	REAL000000009456	1	50	0.0	-12.27	400.66	6.97	-5.30
COC(=O)CCC1=CSC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000009457	1	38	0.0	-16.13	339.31	3.70	-12.43
COC(=O)CCC1=CSC(NC(=O)CCC2=NNN=N2)=N1	REAL000000009458	1	35	0.0	-12.53	317.80	2.92	-9.61
COC(=O)CCC1=CSC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009459	0	41	0.0	-16.00	364.44	6.55	-9.44
COC(=O)CCC1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009460	0	38	0.0	-11.11	349.88	3.48	-7.62
CC(C)COC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009461	0	46	0.0	-12.45	364.67	6.67	-5.78
CC(C)COC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009462	0	43	0.0	-10.22	349.72	4.58	-5.64
CCOC1=CC(Cl)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009463	1	37	0.0	-12.68	323.02	4.25	-8.43
CCOC1=CC(Cl)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009464	0	40	0.0	-13.58	348.80	7.11	-6.46
CCOC1=CC(Cl)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009465	0	37	0.0	-8.40	334.45	4.03	-4.36
CCOC1=CC=NC(N2CCCN(C(=O)CCCC3=NNN=N3)CC2)=N1	REAL000000009466	1	50	0.0	-16.33	390.63	5.30	-11.04
CCOC1=CC=NC(N2CCCN(C(=O)CCC3=NNN=N3)CC2)=N1	REAL000000009467	1	47	0.0	-12.18	369.14	4.52	-7.66
CCOC1=CC=NC(N2CCCN(C(=O)C3=CC=C(C4=NNN=N4)C=N3)CC2)=N1	REAL000000009468	0	50	0.0	-12.03	398.15	5.85	-6.18
CC1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CN(C)C1=O	REAL000000009469	0	39	0.0	-23.51	330.40	5.68	-17.83
CC1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CN(C)C1=O	REAL000000009470	0	36	0.0	-16.12	315.91	2.61	-13.50
COC(=O)CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCC1	REAL000000009471	0	45	0.0	-15.65	355.15	8.23	-7.42
COC(=O)CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCC1	REAL000000009472	0	42	0.0	-12.54	339.84	6.30	-6.23
O=C(CCCC1=NNN=N1)N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000009473	1	46	0.0	-14.99	370.50	7.91	-7.08
O=C(CCC1=NNN=N1)N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL000000009474	1	43	0.0	-10.45	349.00	7.13	-3.32
CC(C)CN(C(=O)CCCC1=NNN=N1)C1=CC=C(Cl)C=C1	REAL000000009475	1	42	0.0	-13.84	339.86	7.32	-6.52
CC(C)CN(C(=O)CCC1=NNN=N1)C1=CC=C(Cl)C=C1	REAL000000009476	1	39	0.0	-9.58	327.69	6.77	-2.81
CC(C)CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(Cl)C=C1	REAL000000009477	0	42	0.0	-8.55	344.86	7.94	-0.61
O=C(CCCC1=NNN=N1)NC1=CC=C(C2=NC3=CC(F)=C(F)C=C3N2)C=C1	REAL000000009478	1	43	0.0	-17.98	374.76	6.07	-11.90
O=C(CCC1=NNN=N1)NC1=CC=C(C2=NC3=CC(F)=C(F)C=C3N2)C=C1	REAL000000009479	1	40	0.0	-14.26	353.26	5.29	-8.97
O=C(CCCC1=NNN=N1)NC1COC2=CC=C(Cl)C=C21	REAL000000009480	1	35	0.0	-12.25	313.01	3.20	-9.05
O=C(NC1COC2=CC=C(Cl)C=C21)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009481	0	38	0.0	-13.25	338.17	6.06	-7.19
O=C(NC1COC2=CC=C(Cl)C=C21)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009482	0	35	0.0	-8.30	323.62	2.98	-5.32
CC1=CC=C(Cl)C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009483	0	36	0.0	-13.74	318.46	7.57	-6.18
CC1=CC=C(Cl)C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009484	0	33	0.0	-8.52	303.41	4.48	-4.04
C=C(C)COCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009485	0	40	0.0	-15.73	335.53	4.86	-10.87
CCCOC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009486	1	40	0.0	-12.74	334.20	4.61	-8.13
CCCOC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009487	0	43	0.0	-13.57	359.95	7.48	-6.09
CCCOC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009488	0	40	0.0	-8.24	344.80	4.39	-3.84
CC(C)C[C@@H](NC(=O)CCCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000009489	1	50	0.0	-10.76	380.16	5.35	-5.41
CC(C)C[C@@H](NC(=O)CCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000009490	1	47	0.0	-8.41	364.96	4.72	-3.68
CC(C)C[C@@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000009491	0	53	0.0	-11.71	405.29	8.20	-3.50
CC(C)C[C@@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000009492	0	50	0.0	-8.33	397.37	5.30	-3.03
CN1C=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C(N)=O	REAL000000009493	0	38	0.0	-19.94	321.07	2.46	-17.49
CN1C=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C(N)=O	REAL000000009494	0	35	0.0	-13.70	306.82	-0.61	-14.30
NC(=O)C1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CN1	REAL000000009495	0	35	0.0	-18.46	303.00	0.78	-17.68
O=C(NCC(O)CN1CCCC1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009496	0	41	0.0	-16.04	349.88	-1.04	-17.08
O=C(CCCC1=NNN=N1)N1CC(C2=NC3=CC=CC=C3N2)C1	REAL000000009497	1	40	0.0	-21.00	334.77	4.60	-16.41
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC(C2=NC3=CC=CC=C3N2)C1	REAL000000009498	0	43	0.0	-23.03	356.41	6.89	-16.14
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC(C2=NC3=CC=CC=C3N2)C1	REAL000000009499	0	40	0.0	-14.85	342.68	4.55	-10.30
CC(CC1=NC2=CC=CC=C2S1)NC(=O)CCCC1=NNN=N1	REAL000000009500	1	41	0.0	-15.96	355.95	4.58	-11.38
CC(CC1=NC2=CC=CC=C2S1)NC(=O)CCC1=NNN=N1	REAL000000009501	1	38	0.0	-12.40	334.45	3.80	-8.60
CC(CC1=NC2=CC=CC=C2S1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009502	0	44	0.0	-21.52	380.56	7.46	-14.06
CC(CC1=NC2=CC=CC=C2S1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009503	0	41	0.0	-14.04	366.00	4.39	-9.66
O=C(NCCN1C=CC=CC1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009504	0	39	0.0	-26.85	332.97	5.41	-21.44
O=C(NCCN1C=CC=CC1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009505	0	36	0.0	-19.33	318.42	2.34	-16.99
NC(=O)C1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=N1	REAL000000009506	0	39	0.0	-18.44	339.48	1.38	-17.06
NC(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=N1	REAL000000009507	0	36	0.0	-13.07	324.92	-1.68	-14.75
CC(C)(C)OC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009510	0	49	0.0	-16.38	370.37	7.16	-9.22
CC(C)(C)OC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009511	0	46	0.0	-9.70	354.49	4.93	-4.77
O=C(NCC1=CC2=NC=CN2C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009512	0	39	0.0	-20.22	334.14	6.89	-13.33
O=C(NCC1=CC2=NC=CN2C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009513	0	36	0.0	-14.49	319.60	3.82	-10.67
CC(CCC1=CC=C(O)C=C1)NC(=O)CCCC1=NNN=N1	REAL000000009514	1	43	0.0	-16.18	356.30	3.18	-12.99
CC(CCC1=CC=C(O)C=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009515	0	46	0.0	-17.90	381.45	6.04	-11.86
CC(CCC1=CC=C(O)C=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009516	0	43	0.0	-11.04	366.89	2.98	-8.06
COC1=CC(CCNC(=O)CCCC2=NNN=N2)=CC=C1O	REAL000000009517	1	41	0.0	-18.92	344.29	1.41	-17.51
COC1=CC(CCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1O	REAL000000009518	0	44	0.0	-21.16	369.83	4.22	-16.94
COC1=CC(CCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1O	REAL000000009519	0	41	0.0	-13.44	354.88	1.19	-12.25
COC1=CC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1O	REAL000000009520	0	41	0.0	-16.96	347.94	3.48	-13.48
COC1=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1O	REAL000000009521	0	38	0.0	-11.49	333.38	0.41	-11.09
CC1=CC=C(CO)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009522	0	40	0.0	-19.52	332.84	4.43	-15.10
CC1=CC=C(CO)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009523	0	37	0.0	-11.89	317.63	1.35	-10.54
O=C(CCCC1=NNN=N1)NC1=CC=C2N=C(N3CCOCC3)OC2=C1	REAL000000009524	1	45	0.0	-21.28	368.07	0.14	-21.14
O=C(CCC1=NNN=N1)NC1=CC=C2N=C(N3CCOCC3)OC2=C1	REAL000000009525	1	42	0.0	-16.72	346.57	-0.65	-17.37
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009526	0	45	0.0	-14.39	378.97	-0.09	-14.48
O=C(CCCC1=NNN=N1)N1CCC(C(=O)NCCCO)CC1	REAL000000009527	1	47	0.0	-23.24	372.32	0.10	-23.15
O=C(CCC1=NNN=N1)N1CCC(C(=O)NCCCO)CC1	REAL000000009528	1	44	0.0	-18.35	350.84	-0.67	-19.02
O=C(NCCCO)C1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009529	0	47	0.0	-17.02	380.02	0.33	-16.69
O=C(CCCC1=NNN=N1)NCCNC(=O)C1=CC=C(O)C=C1	REAL000000009530	1	41	0.0	-19.63	350.07	-0.88	-20.52
O=C(CCC1=NNN=N1)NCCNC(=O)C1=CC=C(O)C=C1	REAL000000009531	1	38	0.0	-16.27	328.57	-1.67	-17.94
O=C(NCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(O)C=C1	REAL000000009532	0	44	0.0	-20.77	375.22	1.97	-18.80
O=C(NCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(O)C=C1	REAL000000009533	0	41	0.0	-15.38	360.66	-1.10	-16.48
COC1=CC(CNC(=O)CCCC2=NNN=N2)=CC(OC)=C1O	REAL000000009534	1	42	0.0	-17.31	352.00	0.52	-16.79
COC1=CC(CNC(=O)CCC2=NNN=N2)=CC(OC)=C1O	REAL000000009535	1	39	0.0	-13.90	330.50	-0.25	-14.15
COC1=CC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC(OC)=C1O	REAL000000009536	0	45	0.0	-18.68	377.13	3.38	-15.30
COC1=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC(OC)=C1O	REAL000000009537	0	42	0.0	-13.08	362.59	0.30	-12.78
O=C(NCCC1=CC=C(O)C(O)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009538	0	41	0.0	-22.10	351.34	2.14	-19.96
O=C(NCCC1=CC=C(O)C(O)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009539	0	38	0.0	-12.99	336.40	-0.89	-13.87
O=C(NCC1=CC=C(O)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009540	0	37	0.0	-15.70	318.70	3.47	-12.24
O=C(NCCC1=CC=C(O)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009541	0	40	0.0	-19.17	340.20	4.25	-14.92
O=C(NCCC1=CC=C(O)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009542	0	37	0.0	-11.83	325.64	1.19	-10.65
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=C(O)C=C2C1	REAL000000009543	0	38	0.0	-10.83	317.63	3.22	-7.61
CCOC1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1CO	REAL000000009544	1	41	0.0	-16.47	337.03	1.20	-15.26
CCOC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1CO	REAL000000009545	0	44	0.0	-17.04	362.67	4.02	-13.03
CCOC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1CO	REAL000000009546	0	41	0.0	-10.58	347.60	1.00	-9.58
O=C(CCCC1=NNN=N1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009547	1	43	0.0	-20.27	334.69	2.16	-18.11
O=C(CCC1=NNN=N1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009548	1	40	0.0	-15.67	313.15	1.37	-14.30
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCS(=O)(=O)C2CCCCC21	REAL000000009549	0	43	0.0	-13.59	343.08	2.32	-11.27
O=C(CCCC1=NNN=N1)NC1=CC=CC(CCC(F)(F)F)=C1	REAL000000009550	1	39	0.0	-15.67	339.24	5.96	-9.71
O=C(CCC1=NNN=N1)NC1=CC=CC(CCC(F)(F)F)=C1	REAL000000009551	1	36	0.0	-11.64	317.74	5.18	-6.46
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009552	0	42	0.0	-17.09	364.13	8.83	-8.27
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009553	0	39	0.0	-10.26	349.55	5.76	-4.50
COC(=O)CCN(CC1=CC=NC=C1)C(=O)CCCC1=NNN=N1	REAL000000009554	1	44	0.0	-21.68	365.18	5.31	-16.38
COC(=O)CCN(CC1=CC=NC=C1)C(=O)CCC1=NNN=N1	REAL000000009555	1	41	0.0	-16.12	343.62	4.53	-11.60
COC(=O)CCN(CC1=CC=NC=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009556	0	47	0.0	-18.03	389.89	7.86	-10.17
COC(=O)CCN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009557	0	44	0.0	-14.47	371.72	6.12	-8.35
COC1=CC(OCCCNC(=O)CCCC2=NNN=N2)=CC(OC)=C1	REAL000000009558	1	48	0.0	-17.63	392.96	2.50	-15.13
COC1=CC(OCCCNC(=O)CCC2=NNN=N2)=CC(OC)=C1	REAL000000009559	1	45	0.0	-13.84	371.46	1.71	-12.13
COC1=CC(OC)=CC(OCCCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009560	0	51	0.0	-19.25	418.11	5.34	-13.91
COC1=CC(OC)=CC(OCCCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009561	0	48	0.0	-12.83	403.56	2.28	-10.55
CC(C)C(=O)NC1=CC=C(OC(=O)CCCC2=NNN=N2)C=C1	REAL000000009562	1	42	0.0	-18.57	351.83	6.06	-12.52
CC(C)C(=O)NC1=CC=C(OC(=O)CCC2=NNN=N2)C=C1	REAL000000009563	1	39	0.0	-14.66	330.34	5.28	-9.39
CC(C)C(=O)NC1=CC=C(OC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009564	0	42	0.0	-14.87	363.51	5.65	-9.22
COC1=CC(NC(=O)CCCC2=NNN=N2)=CC=C1NC(N)=O	REAL000000009565	1	40	0.0	-22.76	333.47	-1.09	-23.85
COC1=CC(NC(=O)CCC2=NNN=N2)=CC=C1NC(N)=O	REAL000000009566	1	37	0.0	-18.07	312.80	-1.86	-19.93
COC1=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1NC(N)=O	REAL000000009567	0	43	0.0	-20.08	359.90	1.73	-18.36
COC1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1NC(N)=O	REAL000000009568	0	40	0.0	-14.04	344.88	-1.30	-15.34
O=C(CCCC1=NNN=N1)N(CC1=CC=CC=C1Br)C1CCCC1	REAL000000009569	1	46	0.0	-12.36	359.71	8.31	-4.05
O=C(CCC1=NNN=N1)N(CC1=CC=CC=C1Br)C1CCCC1	REAL000000009570	1	43	0.0	-7.48	341.40	7.39	-0.09
CN(CCCN1C=CN=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009571	0	42	0.0	-21.89	348.60	8.34	-13.55
CN(CCCN1C=CN=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009572	0	39	0.0	-15.11	331.50	6.35	-8.76
COC1=CC=C(NNC(=O)CCCC2=NNN=N2)C([N+](=O)[O-])=C1	REAL000000009573	1	38	0.0	-24.23	328.31	3.10	-21.12
COC1=CC=C(NNC(=O)CCC2=NNN=N2)C([N+](=O)[O-])=C1	REAL000000009574	1	35	0.0	-18.74	306.81	2.32	-16.42
COC1=CC=C(NNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C([N+](=O)[O-])=C1	REAL000000009575	0	38	0.0	-15.68	338.77	2.87	-12.81
CC(C)N(CC(F)F)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009576	0	38	0.0	-17.61	302.50	6.39	-11.22
CC(CC1=CC=C(O)C=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009577	0	43	0.0	-19.90	358.46	5.26	-14.63
CC(CC1=CC=C(O)C=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009578	0	40	0.0	-12.24	343.85	2.20	-10.03
O=C(CCCC1=NNN=N1)N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL000000009579	1	43	0.0	-16.01	378.75	4.72	-11.30
O=C(CCC1=NNN=N1)N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL000000009580	1	40	0.0	-11.55	363.01	4.16	-7.39
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=NN=N[N-]1	REAL000000009581	0	48	0.0	-78.28	379.51	4.75	-73.52
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=N[N-]N=N1	REAL000000009581	1	48	0.0	-78.26	379.45	4.75	-73.50
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCC1=NN=N[N-]1	REAL000000009582	0	45	0.0	-67.25	363.73	4.20	-63.06
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCC1=N[N-]N=N1	REAL000000009582	1	45	0.0	-67.25	363.67	4.19	-63.06
COC1=CC(CN(C(=O)CCCC2=NNN=N2)C2CC2)=CC=C1O	REAL000000009585	1	45	0.0	-18.90	361.28	4.16	-14.74
COC1=CC(CN(C(=O)CCC2=NNN=N2)C2CC2)=CC=C1O	REAL000000009586	1	42	0.0	-14.11	340.40	3.41	-10.69
COC1=CC(CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2CC2)=CC=C1O	REAL000000009587	0	48	0.0	-17.88	385.54	6.41	-11.48
COC1=CC(CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C2CC2)=CC=C1O	REAL000000009588	0	45	0.0	-12.82	365.36	4.79	-8.03
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC(O)=C1	REAL000000009589	0	40	0.0	-17.41	336.18	4.35	-13.06
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(O)=C1	REAL000000009590	0	37	0.0	-10.45	321.64	1.28	-9.17
O=C(NCCC1=CC=CC(O)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009591	0	40	0.0	-19.21	340.20	4.25	-14.96
O=C(NCCC1=CC=CC(O)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009592	0	37	0.0	-11.89	325.64	1.19	-10.70
O=C(CCCC1=NNN=N1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009593	1	44	0.0	-15.29	358.24	5.06	-10.23
O=C(CCC1=NNN=N1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009594	1	41	0.0	-11.02	342.51	4.52	-6.50
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009595	0	47	0.0	-17.21	382.62	7.59	-9.62
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CC1=CC=C(O)C=C1)CC1CC1	REAL000000009596	0	44	0.0	-10.95	368.76	5.88	-5.07
O=C(NCC1=CC=CC=C1O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009597	0	37	0.0	-15.54	318.03	3.48	-12.06
O=C(CCCC1=NNN=N1)NCCCNC(=O)C1=CC=CC(O)=C1	REAL000000009598	1	44	0.0	-25.33	371.62	-0.13	-25.46
O=C(CCC1=NNN=N1)NCCCNC(=O)C1=CC=CC(O)=C1	REAL000000009599	1	41	0.0	-20.97	350.12	-0.91	-21.87
O=C(NCCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC(O)=C1	REAL000000009600	0	47	0.0	-27.24	396.77	2.72	-24.52
O=C(NCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC(O)=C1	REAL000000009601	0	44	0.0	-19.34	382.22	-0.35	-19.69
COC1=CC=CC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1O	REAL000000009602	0	41	0.0	-16.94	347.26	3.47	-13.48
COC1=CC=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1O	REAL000000009603	0	38	0.0	-12.00	332.30	0.44	-11.56
COC1=CC=C(O)C(C(C)NC(=O)CCCC2=NNN=N2)=C1	REAL000000009604	1	41	0.0	-16.00	338.34	0.90	-15.10
COC1=CC=C(O)C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009605	0	44	0.0	-17.74	364.02	3.70	-14.04
COC1=CC=C(O)C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009606	0	41	0.0	-11.71	348.94	0.68	-11.03
O=C(NCC1C2CC3=CC=CC=C3C12)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009607	0	44	0.0	-18.38	357.88	8.73	-9.65
O=C(NCC1C2CC3=CC=CC=C3C12)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009608	0	41	0.0	-10.83	343.32	5.66	-5.17
O=C(CCCC1=NNN=N1)NC1(C2=C(Cl)C=CC=C2Cl)CC1	REAL000000009609	1	37	0.0	-12.34	330.18	5.39	-6.95
O=C(CCC1=NNN=N1)NC1(C2=C(Cl)C=CC=C2Cl)CC1	REAL000000009610	1	34	0.0	-9.27	310.42	4.59	-4.68
O=C(NC1(C2=C(Cl)C=CC=C2Cl)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009611	0	40	0.0	-14.24	356.53	8.18	-6.07
O=C(NC1(C2=C(Cl)C=CC=C2Cl)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009612	0	37	0.0	-8.70	340.78	5.17	-3.53
CC(CC1=CC=CC=C1Br)NC(=O)CCCC1=NNN=N1	REAL000000009613	1	39	0.0	-16.31	340.43	5.59	-10.72
CC(CC1=CC=CC=C1Br)NC(=O)CCC1=NNN=N1	REAL000000009614	1	36	0.0	-11.67	316.81	4.60	-7.07
CC(CC1=CC=CC=C1Br)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009615	0	39	0.0	-10.55	351.14	5.38	-5.17
CC(CC1CCOC1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009616	0	43	0.0	-17.50	343.22	5.11	-12.39
CC(CC1CCOC1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009617	0	40	0.0	-9.46	329.32	2.13	-7.33
CCC(CC1=CC=CC=C1Br)NC(=O)CCCC1=NNN=N1	REAL000000009618	1	42	0.0	-15.50	354.38	6.21	-9.30
CCC(CC1=CC=CC=C1Br)NC(=O)CCC1=NNN=N1	REAL000000009619	1	39	0.0	-11.19	332.89	5.43	-5.76
O=C(CCCC1=NNN=N1)NCC1=NN=C(C2=CC=CC=C2)S1	REAL000000009620	1	38	0.0	-16.48	342.29	3.31	-13.17
O=C(CCC1=NNN=N1)NCC1=NN=C(C2=CC=CC=C2)S1	REAL000000009621	1	35	0.0	-13.32	320.80	2.53	-10.78
O=C(NCC1=NN=C(C2=CC=CC=C2)S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009622	0	41	0.0	-17.28	367.84	6.13	-11.15
O=C(NCC1=NN=C(C2=CC=CC=C2)S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009623	0	38	0.0	-12.41	352.89	3.10	-9.31
COC(=O)CS(=O)(=O)CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1	REAL000000009624	1	48	0.0	-32.64	422.37	2.80	-29.85
COC(=O)CS(=O)(=O)CC1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1	REAL000000009625	1	45	0.0	-28.62	400.87	2.02	-26.60
CCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009626	0	42	0.0	-14.51	341.15	6.81	-7.70
NC(=O)C1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000009627	0	41	0.0	-22.25	342.80	1.56	-20.69
NC(=O)C1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000009628	0	38	0.0	-17.70	328.24	-1.52	-19.21
COCCC(=O)N1CCC(NC(=O)CCCC2=NNN=N2)CC1	REAL000000009629	1	47	0.0	-19.29	374.22	1.88	-17.41
COCCC(=O)N1CCC(NC(=O)CCC2=NNN=N2)CC1	REAL000000009630	1	44	0.0	-13.68	352.66	1.09	-12.59
COCCC(=O)N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009631	0	50	0.0	-18.37	399.35	4.73	-13.63
COCCC(=O)N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009632	0	47	0.0	-12.66	384.80	1.67	-10.99
O=C(CCCC1=NNN=N1)NC1=NN(C2=CC=CC=C2Cl)C=C1	REAL000000009633	1	37	0.0	-17.71	326.63	6.23	-11.47
O=C(CCC1=NNN=N1)NC1=NN(C2=CC=CC=C2Cl)C=C1	REAL000000009634	1	34	0.0	-14.24	305.13	5.44	-8.80
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009635	0	40	0.0	-18.32	351.76	9.08	-9.24
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009636	0	37	0.0	-13.74	337.19	6.02	-7.72
CC(C)C(CCO)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009637	0	42	0.0	-14.96	330.79	2.87	-12.09
NC(=O)C1=NOC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009638	0	36	0.0	-17.24	321.85	0.54	-16.70
NC(=O)C1=NOC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009639	0	33	0.0	-12.22	306.90	-2.49	-14.71
CN1C=C(C2=C(NC(=O)CCCC3=NNN=N3)N3C=CC=CC3=N2)C=N1	REAL000000009640	1	43	0.0	-19.93	362.68	6.12	-13.80
CN1C=C(C2=C(NC(=O)CCC3=NNN=N3)N3C=CC=CC3=N2)C=N1	REAL000000009641	1	40	0.0	-18.09	350.48	5.34	-12.74
CN1C=C(C2=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)N3C=CC=CC3=N2)C=N1	REAL000000009642	0	43	0.0	-17.15	382.57	5.90	-11.25
O=C(CCCC1=NNN=N1)NCCC1=NN=C(C2=CC=CC=C2)O1	REAL000000009643	1	41	0.0	-22.04	355.56	0.23	-21.80
O=C(CCC1=NNN=N1)NCCC1=NN=C(C2=CC=CC=C2)O1	REAL000000009644	1	38	0.0	-17.54	334.06	-0.54	-18.09
O=C(NCCC1=NN=C(C2=CC=CC=C2)O1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009645	0	44	0.0	-23.38	380.69	3.08	-20.29
O=C(NCCC1=NN=C(C2=CC=CC=C2)O1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009646	0	41	0.0	-15.66	366.16	0.02	-15.64
CC1=NN(C)C2=C1N(C(=O)C1=CC=CC(NC3=NNN=N3)=C1)CCO2	REAL000000009647	0	41	0.0	-19.82	326.93	4.39	-15.43
CC1=NN(C)C2=C1N(C(=O)C1=CC=C(C3=NNN=N3)C=N1)CCO2	REAL000000009648	0	38	0.0	-12.99	312.81	2.32	-10.67
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)CCCC1=NNN=N1	REAL000000009649	1	49	0.0	-16.14	403.74	6.53	-9.61
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)CCC1=NNN=N1	REAL000000009650	1	46	0.0	-12.73	382.24	5.75	-6.98
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009651	0	49	0.0	-11.93	414.34	6.32	-5.61
O=C(NC1=CC=CC(N2C=CN=N2)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009652	0	39	0.0	-29.03	334.86	6.07	-22.96
O=C(NC1=CC=CC(N2C=CN=N2)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009653	0	36	0.0	-20.48	319.73	3.07	-17.41
CC1(C2=CC=CC=C2)CCC(NC(=O)CCCC2=NNN=N2)CC1	REAL000000009654	1	49	0.0	-13.62	366.62	7.18	-6.45
CC1(C2=CC=CC=C2)CCC(NC(=O)CCC2=NNN=N2)CC1	REAL000000009655	1	46	0.0	-9.68	345.12	6.40	-3.28
CC1(C2=CC=CC=C2)CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009656	0	52	0.0	-15.53	391.77	10.03	-5.50
CC1(C2=CC=CC=C2)CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009657	0	49	0.0	-9.52	381.65	6.55	-2.97
O=C(NC1CCOC2(CCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009658	0	44	0.0	-15.37	345.73	5.52	-9.85
O=C(NC1CCOC2(CCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009659	0	41	0.0	-8.64	331.15	2.46	-6.18
CC1=CC=C(C)C(C2CCCN2C(=O)CCCC2=NNN=N2)=C1	REAL000000009660	1	46	0.0	-15.46	360.26	8.13	-7.32
CC1=CC=C(C)C(C2CCCN2C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009661	0	49	0.0	-18.36	382.05	10.49	-7.87
CC1=CC=C(C)C(C2CCCN2C(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009662	0	46	0.0	-11.16	366.91	8.36	-2.80
O=C(CCCC1=NNN=N1)NCCCOC1=CC=C2C=CC=CC2=C1	REAL000000009663	1	46	0.0	-16.53	380.00	6.11	-10.42
O=C(NCCCOC1=CC=C2C=CC=CC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009665	0	49	0.0	-18.12	405.16	8.96	-9.16
O=C(NCCCOC1=CC=C2C=CC=CC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009666	0	46	0.0	-11.93	390.60	5.90	-6.03
COC1=NC=C(NC(=O)CCCC2=NNN=N2)C=C1C(N)=O	REAL000000009667	1	37	0.0	-21.87	316.34	-1.82	-23.69
COC1=NC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1C(N)=O	REAL000000009668	0	40	0.0	-21.42	341.28	1.04	-20.38
COC1=NC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1C(N)=O	REAL000000009669	0	37	0.0	-15.66	326.93	-2.04	-17.69
O=C(CCCC1=NNN=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009670	1	47	0.0	-19.89	400.76	5.57	-14.32
O=C(CCC1=NNN=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009671	1	44	0.0	-16.62	379.23	4.79	-11.83
CC1(C)CC2=CC(NC(=O)CCCC3=NNN=N3)=CC=C2O1	REAL000000009672	1	41	0.0	-16.41	333.89	4.62	-11.78
CC1(C)CC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C2O1	REAL000000009673	0	44	0.0	-17.71	359.69	7.42	-10.29
CC1(C)CC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C2O1	REAL000000009674	0	41	0.0	-10.62	344.77	4.40	-6.23
CC1=NN(C)C=C1C1CCCN1C(=O)CCCC1=NNN=N1	REAL000000009675	1	43	0.0	-19.06	346.58	5.01	-14.04
CC1=NN(C)C=C1C1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009676	0	46	0.0	-21.41	368.31	7.38	-14.02
CC1=NN(C)C=C1C1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009677	0	43	0.0	-13.78	355.45	5.28	-8.49
CN(C(=O)CCCC1=NNN=N1)C1CCN(S(C)(=O)=O)CC1	REAL000000009678	1	44	0.0	-23.04	353.53	1.44	-21.60
CN(C(=O)CCC1=NNN=N1)C1CCN(S(C)(=O)=O)CC1	REAL000000009679	1	41	0.0	-18.57	332.03	0.66	-17.91
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCN(S(C)(=O)=O)CC1	REAL000000009680	0	47	0.0	-20.00	376.40	3.99	-16.01
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCN(S(C)(=O)=O)CC1	REAL000000009681	0	44	0.0	-17.55	361.58	1.79	-15.76
O=C(CCCC1=NNN=N1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009682	1	50	0.0	-13.54	382.42	9.51	-4.03
O=C(CCC1=NNN=N1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009683	1	47	0.0	-9.49	360.93	8.73	-0.75
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009684	0	53	0.0	-15.26	403.61	11.92	-3.34
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCCC1C=CC1=CC=CC=C1	REAL000000009685	0	50	0.0	-9.83	388.65	9.40	-0.43
O=C(CCCC1=NNN=N1)NCCC1=CSC(C2=CC=CC=C2)=N1	REAL000000009686	1	42	0.0	-18.94	368.49	5.08	-13.87
O=C(CCC1=NNN=N1)NCCC1=CSC(C2=CC=CC=C2)=N1	REAL000000009687	1	39	0.0	-14.60	346.99	4.29	-10.30
O=C(NCCC1=CSC(C2=CC=CC=C2)=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009688	0	45	0.0	-20.91	394.03	7.89	-13.02
O=C(NCCC1=CSC(C2=CC=CC=C2)=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009689	0	42	0.0	-13.14	379.09	4.86	-8.28
O=C(CCCC1=NNN=N1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009690	1	45	0.0	-21.83	356.81	5.12	-16.71
O=C(CCC1=NNN=N1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009691	1	42	0.0	-16.81	335.69	4.33	-12.49
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009692	0	48	0.0	-24.74	379.07	7.71	-17.03
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCCC1C1=NC2=CC=CC=C2O1	REAL000000009693	0	45	0.0	-16.36	365.19	5.23	-11.13
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1N1CCC(CO)CC1	REAL000000009695	1	49	0.0	-14.64	384.54	2.52	-12.12
O=C(CCC1=NNN=N1)NC1=CC=CC=C1N1CCC(CO)CC1	REAL000000009696	1	46	0.0	-10.62	363.04	1.74	-8.88
O=C(NC1=CC=CC=C1N1CCC(CO)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009697	0	52	0.0	-16.36	403.19	5.65	-10.71
O=C(NC1=CC=CC=C1N1CCC(CO)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009698	0	49	0.0	-10.25	395.13	2.30	-7.95
CC(C)OC(=O)C(C)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009699	0	44	0.0	-15.13	355.53	7.27	-7.87
CC(C)OC(=O)C(C)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009700	0	41	0.0	-10.70	340.72	5.29	-5.41
CCN(C(=O)CCCC1=NNN=N1)C(C)C1=CC=C(C2=CC=CC(OC)=C2)C=C1	REAL000000009701	1	56	0.0	-15.95	430.20	10.03	-5.92
CCN(C(=O)CCC1=NNN=N1)C(C)C1=CC=C(C2=CC=CC(OC)=C2)C=C1	REAL000000009702	1	53	0.0	-13.69	407.54	8.80	-4.89
CC(C)OC1=CC=C(C2=CC=CC(C(C)N(C)C(=O)CCC3=NNN=N3)=C2)C=C1	REAL000000009703	1	56	0.0	-13.34	431.14	9.33	-4.01
CCC(CC)(CC)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009704	0	47	0.0	-14.55	347.82	7.06	-7.50
CCC(CC)(CC)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009705	0	44	0.0	-7.73	333.26	3.98	-3.75
CC(C)CC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009706	0	48	0.0	-15.22	360.74	8.62	-6.60
CC(C)CC1CCCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009707	0	45	0.0	-8.58	346.41	6.36	-2.23
CC1=C(C(C)N(C)C(=O)CCCC2=NNN=N2)SC(C2=CC=CC=C2)=N1	REAL000000009708	1	48	0.0	-16.97	396.57	7.42	-9.55
CC1=C(C(C)N(C)C(=O)CCC2=NNN=N2)SC(C2=CC=CC=C2)=N1	REAL000000009709	1	45	0.0	-12.55	373.48	6.65	-5.90
CSCC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009710	0	40	0.0	-16.45	323.99	7.13	-9.32
CSCC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009711	0	37	0.0	-9.20	312.15	5.22	-3.98
CN(CCOC(C)(C)C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009712	0	45	0.0	-14.84	352.60	6.32	-8.52
CN(CCOC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009713	0	42	0.0	-8.74	337.10	4.24	-4.50
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CC1C1=CC=CC=C1	REAL000000009714	0	43	0.0	-18.55	346.62	9.03	-9.53
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CC1C1=CC=CC=C1	REAL000000009715	0	40	0.0	-10.24	327.80	7.06	-3.17
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC(C)(C)C)=C1	REAL000000009716	1	49	0.0	-14.07	383.26	5.33	-8.75
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC(C)(C)C)=C1	REAL000000009717	1	46	0.0	-10.28	361.76	4.55	-5.73
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OC(C)(C)C)=C1	REAL000000009718	0	52	0.0	-16.18	408.44	8.15	-8.03
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC(C)(C)C)=C1	REAL000000009719	0	49	0.0	-10.11	394.09	5.12	-4.99
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(CCOCC2)C1	REAL000000009721	0	45	0.0	-14.98	344.11	4.81	-10.17
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(CCOCC2)C1	REAL000000009722	0	42	0.0	-9.74	327.07	2.54	-7.20
O=C(CCCC1=NNN=N1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009723	1	49	0.0	-14.97	387.28	8.84	-6.13
O=C(CCC1=NNN=N1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009724	1	46	0.0	-10.73	365.78	8.05	-2.68
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009725	0	52	0.0	-16.55	400.97	10.89	-5.67
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1CCCC1=CC=CC=C1	REAL000000009726	0	49	0.0	-10.56	394.78	9.04	-1.52
CCCCCC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009727	0	48	0.0	-14.75	362.56	8.66	-6.08
CCCCCC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009728	0	45	0.0	-9.34	355.06	6.87	-2.48
CC(COC1CCOC1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009729	0	44	0.0	-15.85	357.59	3.83	-12.02
CC(COC1CCOC1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009730	0	41	0.0	-9.54	343.03	0.75	-8.79
COC1=CC(F)=CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009731	0	37	0.0	-17.13	318.26	5.56	-11.58
COC1=CC(F)=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009732	0	34	0.0	-9.95	302.92	2.55	-7.40
O=C(CCCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009733	1	45	0.0	-14.44	364.64	2.13	-12.30
O=C(CCC1=NNN=N1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009734	1	42	0.0	-10.11	341.49	1.74	-8.37
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOCC1CC(O)C1=CC=CS1	REAL000000009735	0	45	0.0	-9.97	372.05	2.36	-7.61
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCS(=O)(=O)C2(CCCCC2)C1	REAL000000009740	0	49	0.0	-18.95	370.64	5.38	-13.57
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCS(=O)(=O)C2(CCCCC2)C1	REAL000000009741	0	46	0.0	-13.34	356.23	3.18	-10.16
COC1=CC(OC)=C2C=C(CCCNC(=O)CCCC3=NNN=N3)NC2=C1	REAL000000009742	1	51	0.0	-19.19	416.45	3.58	-15.62
COC1=CC(OC)=C2C=C(CCCNC(=O)CCC3=NNN=N3)NC2=C1	REAL000000009743	1	48	0.0	-15.60	394.95	2.79	-12.80
O=C(NC1=CC=C(CCO)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009744	0	40	0.0	-17.74	336.69	4.27	-13.47
O=C(NC1=CC=C(CCO)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009745	0	37	0.0	-10.76	321.60	1.25	-9.52
O=C(CCCC1=NNN=N1)NC1=CC=C(N2CCC(O)CC2)C=C1	REAL000000009746	1	46	0.0	-16.54	360.49	1.32	-15.21
O=C(CCC1=NNN=N1)NC1=CC=C(N2CCC(O)CC2)C=C1	REAL000000009747	1	43	0.0	-12.36	338.99	0.54	-11.82
O=C(NC1=CC=C(N2CCC(O)CC2)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009748	0	49	0.0	-17.96	385.62	4.18	-13.78
O=C(NC1=CC=C(N2CCC(O)CC2)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009749	0	46	0.0	-11.40	371.36	1.09	-10.30
O=C(CCCC1=NNN=N1)NCC(CO)CC1=CC=C(F)C=C1	REAL000000009750	1	43	0.0	-16.06	353.88	2.91	-13.14
O=C(CCC1=NNN=N1)NCC(CO)CC1=CC=C(F)C=C1	REAL000000009751	1	40	0.0	-12.37	332.37	2.12	-10.25
O=C(NCC(CO)CC1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009752	0	46	0.0	-17.28	380.00	5.77	-11.51
O=C(NCC(CO)CC1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009753	0	43	0.0	-11.46	364.47	2.70	-8.76
O=C(NCC1=CC=CC=C1CO)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009754	0	40	0.0	-15.46	335.54	3.76	-11.70
O=C(NCC1=CC=CC=C1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009755	0	37	0.0	-9.91	320.59	0.73	-9.18
O=C(CCCC1=NNN=N1)NC1=CC=C(CC(=O)NCCO)C=C1	REAL000000009756	1	44	0.0	-22.79	370.64	-0.14	-22.93
O=C(CCC1=NNN=N1)NC1=CC=C(CC(=O)NCCO)C=C1	REAL000000009757	1	41	0.0	-18.49	349.14	-0.92	-19.41
O=C(CC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1)NCCO	REAL000000009758	0	44	0.0	-18.29	381.23	-0.36	-18.65
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009759	0	52	0.0	-77.52	404.92	4.45	-73.08
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009759	1	52	0.0	-77.50	404.86	4.45	-73.05
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009760	0	49	0.0	-69.03	383.42	3.67	-65.36
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL000000009760	1	49	0.0	-69.02	383.36	3.67	-65.35
O=C(CCCC1=NNN=N1)N1CCN(C(=O)C2=CC=CC(O)=C2)CC1	REAL000000009762	1	45	0.0	-23.94	362.54	2.44	-21.50
O=C(CCC1=NNN=N1)N1CCN(C(=O)C2=CC=CC(O)=C2)CC1	REAL000000009763	1	42	0.0	-18.41	341.05	1.66	-16.75
O=C(C1=CC=CC(O)=C1)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009764	0	48	0.0	-20.49	391.28	5.10	-15.40
O=C(C1=CC=CC(O)=C1)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009765	0	45	0.0	-16.68	371.17	2.69	-13.99
O=C(CCCC1=NNN=N1)NC1=CC=CC(CCC(O)C2=CC=CC=C2)=C1	REAL000000009766	1	50	0.0	-17.12	409.52	6.26	-10.87
O=C(CCC1=NNN=N1)NC1=CC=CC(CCC(O)C2=CC=CC=C2)=C1	REAL000000009767	1	47	0.0	-12.94	388.02	5.48	-7.46
O=C(CCCC1=NNN=N1)NC1=CC=C(CCC(O)C2=CC=CC=C2)C=C1	REAL000000009768	1	50	0.0	-17.17	409.59	6.27	-10.90
O=C(CCC1=NNN=N1)NC1=CC=C(CCC(O)C2=CC=CC=C2)C=C1	REAL000000009769	1	47	0.0	-12.98	388.10	5.49	-7.48
O=C(NCC1=CC=CC(CO)=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009770	0	40	0.0	-16.99	340.48	3.65	-13.35
O=C(NCC1=CC=CC(CO)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009771	0	37	0.0	-10.85	325.93	0.58	-10.27
O=C(CCCC1=NNN=N1)NCC(CCO)C1=CC=CC=C1	REAL000000009772	1	43	0.0	-16.45	351.14	2.21	-14.23
O=C(NCC(CCO)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009773	0	46	0.0	-18.11	375.82	5.04	-13.07
O=C(NCC(CCO)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009774	0	43	0.0	-11.18	361.49	2.01	-9.17
N#CC1=CC(NC(=O)CCCC2=NNN=N2)=CC=C1N1CCC(O)CC1	REAL000000009775	1	47	0.0	-23.63	385.09	2.18	-21.45
N#CC1=CC(NC(=O)CCC2=NNN=N2)=CC=C1N1CCC(O)CC1	REAL000000009776	1	44	0.0	-18.85	363.58	1.40	-17.45
N#CC1=CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1N1CCC(O)CC1	REAL000000009777	0	47	0.0	-16.83	395.67	1.96	-14.87
O=C(CCCC1=NNN=N1)NCC(CO)CC1=CC=CC=C1OC(F)(F)F	REAL000000009778	1	47	0.0	-15.47	393.82	2.72	-12.75
O=C(CCC1=NNN=N1)NCC(CO)CC1=CC=CC=C1OC(F)(F)F	REAL000000009779	1	44	0.0	-10.76	363.20	3.21	-7.54
CN(CC1=CC=C(O)C=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009780	0	40	0.0	-18.88	334.44	5.13	-13.75
CN(CC1=CC=C(O)C=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009781	0	37	0.0	-11.72	317.69	3.13	-8.59
COC1=CC(OC)=CC(CC(CO)CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009782	1	51	0.0	-17.43	406.47	1.46	-15.96
COC1=CC(OC)=CC(CC(CO)CNC(=O)CCC2=NNN=N2)=C1	REAL000000009783	1	48	0.0	-13.64	384.97	0.68	-12.95
COC1=CC(CC(CO)CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC(OC)=C1	REAL000000009784	0	51	0.0	-13.02	418.03	1.25	-11.77
CC(C)CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000009785	0	45	0.0	-14.51	354.01	7.84	-6.67
CC(C)CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000009786	0	42	0.0	-7.77	338.42	4.24	-3.53
O=C(NCCCOC1CCOC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009787	0	44	0.0	-16.54	360.21	3.62	-12.92
O=C(NCCCOC1CCOC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009788	0	41	0.0	-10.17	345.66	0.56	-9.62
CCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000009789	1	43	0.0	-14.13	354.21	4.43	-9.71
CCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009790	0	46	0.0	-16.10	379.76	7.24	-8.86
CCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009791	0	43	0.0	-10.07	364.82	4.22	-5.85
O=C(CCCC1=NNN=N1)NC1CCN(C(=O)C2CCCC2)C1	REAL000000009792	1	47	0.0	-17.63	366.60	3.79	-13.84
O=C(CCC1=NNN=N1)NC1CCN(C(=O)C2CCCC2)C1	REAL000000009793	1	44	0.0	-14.88	344.36	2.99	-11.88
O=C(NC1CCN(C(=O)C2CCCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009794	0	50	0.0	-19.37	390.97	6.62	-12.75
O=C(NC1CCN(C(=O)C2CCCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009795	0	47	0.0	-13.52	376.41	3.55	-9.97
CC(CCS(C)(=O)=O)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009796	0	41	0.0	-23.78	352.65	2.66	-21.12
CC(CCS(C)(=O)=O)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009797	0	38	0.0	-17.34	338.09	-0.40	-17.74
O=C(CCCC1=NNN=N1)NCCOC1=CC=C(Cl)C=N1	REAL000000009798	1	36	0.0	-14.05	326.67	1.04	-13.01
O=C(NCCOC1=CC=C(Cl)C=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009799	0	39	0.0	-15.58	351.83	3.90	-11.68
O=C(NCCOC1=CC=C(Cl)C=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009800	0	36	0.0	-9.77	337.27	0.83	-8.94
O=C(NCCC1=CSC=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009801	0	35	0.0	-19.40	313.87	4.10	-15.30
O=C(NCCC1=CSC=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009802	0	32	0.0	-11.78	298.92	1.07	-10.71
CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCS1	REAL000000009803	0	40	0.0	-14.52	330.49	6.57	-7.95
CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCS1	REAL000000009804	0	37	0.0	-9.30	315.96	3.50	-5.80
COC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(F)=C1	REAL000000009805	0	40	0.0	-16.51	343.13	5.63	-10.89
COC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(F)=C1	REAL000000009806	0	37	0.0	-10.86	328.28	2.60	-8.26
O=C(CCCC1=NNN=N1)NCCC1=CC=CC=C1OC(F)(F)F	REAL000000009807	1	40	0.0	-16.23	348.84	4.11	-12.12
O=C(CCC1=NNN=N1)NCCC1=CC=CC=C1OC(F)(F)F	REAL000000009808	1	37	0.0	-11.93	327.33	3.33	-8.60
O=C(NCCC1=CC=CC=C1OC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009809	0	43	0.0	-17.88	373.96	6.96	-10.92
O=C(NCCC1=CC=CC=C1OC(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009810	0	40	0.0	-10.84	359.44	3.90	-6.94
CSC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000009811	1	40	0.0	-13.77	341.59	5.05	-8.72
CSC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009812	0	43	0.0	-15.70	367.13	7.87	-7.84
CSC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009813	0	40	0.0	-9.81	352.18	4.83	-4.98
O=C(CCCC1=NNN=N1)NCCOC1=CC=C(C(F)(F)F)C=N1	REAL000000009814	1	39	0.0	-14.58	349.04	1.53	-13.05
O=C(CCC1=NNN=N1)NCCOC1=CC=C(C(F)(F)F)C=N1	REAL000000009815	1	36	0.0	-10.92	327.55	0.75	-10.18
O=C(NCCOC1=CC=C(C(F)(F)F)C=N1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009816	0	42	0.0	-16.06	374.20	4.37	-11.69
O=C(NCCOC1=CC=C(C(F)(F)F)C=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009817	0	39	0.0	-10.20	359.64	1.31	-8.89
CC1=CC=C(C2=NOC(C(C)NC(=O)CCCC3=NNN=N3)=N2)C=C1F	REAL000000009818	1	44	0.0	-15.22	380.44	3.64	-11.59
CC1=CC=C(C2=NOC(C(C)NC(=O)CCC3=NNN=N3)=N2)C=C1F	REAL000000009819	1	41	0.0	-12.08	358.94	2.86	-9.22
CC1=CC=C(C2=NOC(C(C)NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)C=C1F	REAL000000009820	0	44	0.0	-10.88	391.04	3.42	-7.46
O=C(CCCC1=NNN=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009821	1	47	0.0	-19.89	400.76	5.57	-14.32
O=C(CCC1=NNN=N1)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL000000009822	1	44	0.0	-16.62	379.23	4.79	-11.83
COC1=CC(N2CCCN(C(=O)CCCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000009823	1	53	0.0	-16.60	402.34	4.66	-11.94
COC1=CC(N2CCCN(C(=O)CCC3=NNN=N3)CC2)=CC(OC)=C1	REAL000000009824	1	50	0.0	-12.26	380.84	3.87	-8.39
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC2CCOC2)=C1	REAL000000009825	1	48	0.0	-15.02	388.14	3.82	-11.19
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC2CCOC2)=C1	REAL000000009826	1	45	0.0	-11.09	366.64	3.04	-8.05
CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(OC2CCOC2)=C1	REAL000000009827	0	51	0.0	-16.78	413.78	6.63	-10.15
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC2CCOC2)=C1	REAL000000009828	0	48	0.0	-10.58	398.73	3.60	-6.98
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC(C2CCCO2)C1	REAL000000009829	0	45	0.0	-10.29	350.04	5.12	-5.17
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC(C2CCCO2)C1	REAL000000009830	0	42	0.0	-10.85	336.39	2.60	-8.26
COCC(C)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC	REAL000000009831	0	42	0.0	-22.63	349.17	3.96	-18.67
COCC(C)(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC	REAL000000009832	0	39	0.0	-14.48	334.61	0.89	-13.59
O=C(CCCC1=NNN=N1)NC1=CC=CC=C1CCC(F)(F)F	REAL000000009833	1	39	0.0	-14.74	334.09	6.15	-8.59
O=C(CCC1=NNN=N1)NC1=CC=CC=C1CCC(F)(F)F	REAL000000009834	1	36	0.0	-10.85	312.60	5.37	-5.48
O=C(NC1=CC=CC=C1CCC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009835	0	42	0.0	-15.78	360.44	9.07	-6.71
O=C(NC1=CC=CC=C1CCC(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009836	0	39	0.0	-9.87	345.37	5.98	-3.89
N#CCOC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000009837	1	35	0.0	-17.78	312.06	3.57	-14.21
N#CCOC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009838	0	38	0.0	-18.42	337.84	6.43	-11.98
N#CCOC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009839	0	35	0.0	-13.73	322.63	3.36	-10.37
CC(C)[NH+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL000000009840	0	48	0.0	-70.46	360.80	1.95	-68.51
CC(C)[NH+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL000000009840	1	48	0.0	-70.44	360.74	1.94	-68.50
CC(NC(=O)CCC1=NNN=N1)C1=NC(C2=CC=C(Br)C=C2)=NO1	REAL000000009843	1	38	0.0	-10.47	353.53	2.76	-7.72
CCC1=CC=C(C2=NOC(C(C)NC(=O)CCCC3=NNN=N3)=N2)C=C1	REAL000000009844	1	47	0.0	-14.96	396.63	4.35	-10.61
CCC1=CC=C(C2=NOC(C(C)NC(=O)CCC3=NNN=N3)=N2)C=C1	REAL000000009845	1	44	0.0	-11.59	375.13	3.58	-8.01
CCC1=CC=C(C2=NOC(C(C)NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)C=C1	REAL000000009846	0	47	0.0	-10.36	407.23	4.14	-6.22
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)CCCC1=NNN=N1	REAL000000009847	1	40	0.0	-13.64	321.77	6.39	-7.26
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)CCC1=NNN=N1	REAL000000009848	1	37	0.0	-10.17	307.88	5.81	-4.36
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009849	0	43	0.0	-14.22	342.52	8.65	-5.57
CC1C2=CC(F)=CC(F)=C2CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009850	0	40	0.0	-8.37	329.71	6.58	-1.79
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CC(=O)NC2CCCCC21	REAL000000009851	0	44	0.0	-15.11	336.15	4.43	-10.68
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CC(=O)NC2CCCCC21	REAL000000009852	0	41	0.0	-10.29	321.84	2.31	-7.98
CC(NC(=O)OC(C)(C)C)C1CCCN(C(=O)CCCC2=NNN=N2)C1	REAL000000009853	1	56	0.0	-16.78	423.41	5.03	-11.75
CC(NC(=O)OC(C)(C)C)C1CCCN(C(=O)CCC2=NNN=N2)C1	REAL000000009854	1	53	0.0	-12.90	396.85	3.86	-9.04
CC1=CC=C(OC(F)F)C(CNC(=O)CCCC2=NNN=N2)=C1	REAL000000009855	1	40	0.0	-15.25	342.11	3.76	-11.49
CC1=CC=C(OC(F)F)C(CNC(=O)CCC2=NNN=N2)=C1	REAL000000009856	1	37	0.0	-11.64	320.61	2.98	-8.66
CC1=CC=C(OC(F)F)C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000009857	0	43	0.0	-16.59	367.66	6.58	-10.02
CC1=CC=C(OC(F)F)C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000009858	0	40	0.0	-11.06	352.71	3.54	-7.51
CCOC1=CC=CC(CNC(=O)CCCC2=NNN=N2)=C1OC(F)F	REAL000000009859	1	44	0.0	-16.85	372.17	4.03	-12.82
CCOC1=CC=CC(CNC(=O)CCC2=NNN=N2)=C1OC(F)F	REAL000000009860	1	41	0.0	-13.49	350.17	3.16	-10.33
CCOC1=CC=CC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1OC(F)F	REAL000000009861	0	44	0.0	-13.02	382.20	3.73	-9.30
CCCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000009862	0	45	0.0	-14.60	351.32	7.30	-7.30
CCCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000009863	0	42	0.0	-7.75	336.68	4.27	-3.48
COC(C)(C)CN(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009864	0	42	0.0	-13.95	322.93	5.32	-8.63
O=C(CCCC1=NNN=N1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009865	1	44	0.0	-15.91	352.90	7.74	-8.17
O=C(CCC1=NNN=N1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009866	1	41	0.0	-11.13	331.39	6.96	-4.17
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009867	0	47	0.0	-16.55	377.23	10.24	-6.31
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(=CC2=CC=CC=C2F)CC1	REAL000000009868	0	44	0.0	-10.52	360.45	7.97	-2.54
O=C(CCCC1=NNN=N1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009869	1	49	0.0	-13.81	377.94	8.76	-5.05
O=C(CCC1=NNN=N1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009870	1	46	0.0	-9.68	356.44	7.98	-1.70
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009871	0	52	0.0	-15.95	403.53	11.43	-4.51
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CCC1=CC=C(F)C=C1)C1CCCC1	REAL000000009872	0	49	0.0	-9.34	384.94	9.56	0.22
CC(C)CN(CC(C)(C)C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009873	0	50	0.0	-14.64	362.93	8.67	-5.97
CC(C)CN(CC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009874	0	47	0.0	-7.90	347.99	7.50	-0.40
O=C(CCCC1=NNN=N1)NC(C1=CC=CC(Cl)=C1)C1CCCCC1	REAL000000009875	1	49	0.0	-13.73	385.05	8.00	-5.74
O=C(CCC1=NNN=N1)NC(C1=CC=CC(Cl)=C1)C1CCCCC1	REAL000000009876	1	46	0.0	-10.62	370.05	7.65	-2.97
O=C(NC(C1=CC=CC(Cl)=C1)C1CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009877	0	49	0.0	-8.92	402.15	8.23	-0.69
O=C(NC(CCO)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009878	0	43	0.0	-15.01	350.40	4.48	-10.53
O=C(NC(CCO)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009879	0	40	0.0	-9.46	335.89	1.41	-8.05
O=C(NC1CCCCC1CO)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009880	0	43	0.0	-15.33	339.89	3.62	-11.71
O=C(NC1CCCCC1CO)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009881	0	40	0.0	-8.88	325.36	0.56	-8.32
O=C(NC1=CC(F)=CC(Cl)=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009882	0	30	0.0	-8.05	290.16	3.75	-4.30
COC1=CC(C(C)NC(=O)CCCC2=NNN=N2)=CC=C1OCCO	REAL000000009883	1	48	0.0	-20.57	392.00	1.43	-19.14
COC1=CC(C(C)NC(=O)CCC2=NNN=N2)=CC=C1OCCO	REAL000000009884	1	45	0.0	-16.61	370.48	0.65	-15.96
COC1=CC(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=CC=C1OCCO	REAL000000009885	0	51	0.0	-21.94	417.15	4.28	-17.65
COC1=CC(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=CC=C1OCCO	REAL000000009886	0	48	0.0	-15.31	402.59	1.21	-14.10
O=C(NC(CCO)C1CCCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009887	0	49	0.0	-14.12	369.88	4.91	-9.21
O=C(NC(CCO)C1CCCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009888	0	46	0.0	-8.51	357.70	1.75	-6.76
COC1=CC=CC=C1N1CCC(NC(=O)CCCC2=NNN=N2)C1	REAL000000009889	1	46	0.0	-16.86	366.59	2.81	-14.05
COC1=CC=CC=C1N1CCC(NC(=O)CCC2=NNN=N2)C1	REAL000000009890	1	43	0.0	-12.61	342.13	1.97	-10.64
COC1=CC=CC=C1N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009891	0	49	0.0	-17.73	388.49	5.59	-12.14
COC1=CC=CC=C1N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009892	0	46	0.0	-11.18	377.18	2.59	-8.59
COC1=CC=CC=C1N1CCC(NC(=O)CCCC2=NNN=N2)C1=O	REAL000000009893	1	45	0.0	-27.79	375.44	3.62	-24.16
COC1=CC=CC=C1N1CCC(NC(=O)CCC2=NNN=N2)C1=O	REAL000000009894	1	42	0.0	-22.38	353.94	2.83	-19.55
COC1=CC=CC=C1N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1=O	REAL000000009895	0	48	0.0	-29.93	400.59	6.47	-23.46
COC1=CC=CC=C1N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1=O	REAL000000009896	0	45	0.0	-20.81	386.02	3.42	-17.39
CCC1(C)CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009897	0	42	0.0	-15.93	321.77	6.84	-9.08
CCC(=O)N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000009898	0	43	0.0	-19.78	352.12	4.94	-14.83
CCC(=O)N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000009899	0	40	0.0	-13.85	337.54	1.87	-11.98
CN(C1=CC=CC=C1NC(=O)CCCC1=NNN=N1)C1CCCC1	REAL000000009900	1	48	0.0	-12.54	371.84	5.81	-6.73
CN(C1=CC=CC=C1NC(=O)CCC1=NNN=N1)C1CCCC1	REAL000000009901	1	45	0.0	-8.71	350.34	5.03	-3.68
CN(C1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCC1	REAL000000009902	0	51	0.0	-14.16	400.75	8.67	-5.49
CN(C1=CC=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCC1	REAL000000009903	0	48	0.0	-8.34	383.97	5.70	-2.64
O=C(CCCC1=NNN=N1)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL000000009904	1	42	0.0	-15.02	372.16	6.28	-8.74
O=C(CCC1=NNN=N1)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL000000009905	1	39	0.0	-13.34	345.59	5.49	-7.85
O=C(NC(C1=CC=CC(Cl)=C1)C1=CC=CC=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009906	0	42	0.0	-10.54	382.75	6.06	-4.48
CC1=NC(CC(C)C)=C(NC(=O)CCCC2=NNN=N2)S1	REAL000000009907	1	41	0.0	-15.11	343.80	4.18	-10.92
CC1=NC(CC(C)C)=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000009908	0	44	0.0	-15.77	368.90	7.03	-8.74
CC1=NC(CC(C)C)=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000009909	0	41	0.0	-9.58	349.29	4.04	-5.54
CC(C)CCC1CCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009910	0	51	0.0	-14.25	377.12	9.29	-4.97
CC(C)CCC1CCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009911	0	48	0.0	-7.57	361.02	7.17	-0.40
O=C(NC(CCO)C1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009912	0	40	0.0	-15.01	325.40	3.20	-11.82
O=C(N[C@H]1CC[C@@H](CO)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009913	0	43	0.0	-17.55	337.09	3.78	-13.77
O=C(N[C@H]1CC[C@@H](CO)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009914	0	40	0.0	-10.36	322.55	0.71	-9.64
O=C(N[C@@H]1C=C[C@H](CO)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009915	0	38	0.0	-17.92	316.18	2.58	-15.33
O=C(N[C@H]1CC[C@H](CO)CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009916	0	43	0.0	-16.20	341.51	3.36	-12.83
O=C(N[C@H]1CC[C@H](CO)CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009917	0	40	0.0	-10.40	326.99	0.30	-10.11
CSC(CO)C(C)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009918	0	40	0.0	-15.41	332.07	3.80	-11.61
CSC(CO)C(C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009919	0	37	0.0	-10.06	317.51	0.73	-9.33
COCC(CCO)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009920	0	40	0.0	-14.41	325.75	0.63	-13.79
O=C(CCCC1=NNN=N1)NC(CCCO)C1=CC=CC=C1	REAL000000009921	1	43	0.0	-16.01	346.79	2.37	-13.64
O=C(NC(CCCO)C1=CC=CC=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009922	0	46	0.0	-18.30	371.90	5.22	-13.07
O=C(NC(CCCO)C1=CC=CC=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009923	0	43	0.0	-11.63	366.10	2.73	-8.90
CSCC(CCO)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009924	0	40	0.0	-15.99	337.97	2.74	-13.25
CSCC(CCO)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009925	0	37	0.0	-10.09	323.19	-0.25	-10.34
O=C(NC(CCO)C1=CC=CS1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009926	0	40	0.0	-13.73	342.46	3.50	-10.23
O=C(NC(CCO)C1=CC=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009927	0	37	0.0	-9.03	327.51	0.47	-8.55
CC(CO)(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CC1	REAL000000009928	0	40	0.0	-15.96	317.85	2.73	-13.24
CCC(CC(C)CO)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009929	0	45	0.0	-16.84	352.24	3.74	-13.10
CCC(CC(C)CO)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009930	0	42	0.0	-10.42	337.69	0.68	-9.74
CC1COC(CO)CN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009931	0	41	0.0	-17.97	321.20	1.93	-16.04
CC1COC(CO)CN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009932	0	38	0.0	-11.94	310.67	-0.11	-12.05
O=C(CCCC1=NNN=N1)NCCNC(=O)NC1CCCCC1	REAL000000009933	1	48	0.0	-18.19	382.01	1.05	-17.15
O=C(CCC1=NNN=N1)NCCNC(=O)NC1CCCCC1	REAL000000009934	1	45	0.0	-14.82	360.51	0.27	-14.55
O=C(NCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)NC1CCCCC1	REAL000000009935	0	51	0.0	-19.37	407.17	3.90	-15.47
O=C(NCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)NC1CCCCC1	REAL000000009936	0	48	0.0	-13.98	392.60	0.83	-13.15
CCSC(C)C1=NOC(CN(C)C(=O)CCCC2=NNN=N2)=N1	REAL000000009937	1	44	0.0	-19.07	376.13	3.66	-15.41
CCSC(C)C1=NOC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009939	0	47	0.0	-20.51	399.51	6.17	-14.33
CCSC(C)C1=NOC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009940	0	44	0.0	-14.22	384.45	4.02	-10.19
O=C(CCCC1=NNN=N1)NC1CC(=O)N(C2CCCCC2)C1	REAL000000009941	1	47	0.0	-20.32	364.59	4.09	-16.23
O=C(CCC1=NNN=N1)NC1CC(=O)N(C2CCCCC2)C1	REAL000000009942	1	44	0.0	-15.19	343.48	3.31	-11.88
O=C(NC1CC(=O)N(C2CCCCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009943	0	50	0.0	-21.35	389.73	6.95	-14.40
O=C(NC1CC(=O)N(C2CCCCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009944	0	47	0.0	-14.07	375.18	3.87	-10.20
CC(C)COC1=CC=C(C(C)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000009945	1	49	0.0	-14.50	392.95	6.08	-8.42
CC(C)COC1=CC=C(C(C)NC(=O)CCC2=NNN=N2)C=C1	REAL000000009946	1	46	0.0	-10.16	371.48	5.29	-4.87
CC(C)COC1=CC=C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000009947	0	52	0.0	-16.13	418.50	8.89	-7.24
CC(C)COC1=CC=C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000009948	0	49	0.0	-9.44	403.55	5.86	-3.58
CNC(=O)C1CCCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009949	0	43	0.0	-19.38	341.13	5.51	-13.87
CNC(=O)C1CCCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009950	0	40	0.0	-16.59	320.61	3.31	-13.28
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009951	0	52	0.0	-66.45	384.22	2.96	-63.48
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009951	1	52	0.0	-66.43	384.17	2.96	-63.47
O=C(CCC1=NN=N[N-]1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009952	0	49	0.0	-59.51	362.72	2.18	-57.33
O=C(CCC1=N[N-]N=N1)NC1CC[NH+](C2CCCCC2O)CC1	REAL000000009952	1	49	0.0	-59.50	362.67	2.18	-57.32
O=C(NC1CCCC(F)(F)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009955	0	39	0.0	-17.48	321.13	6.16	-11.31
O=C(NC1CCCC(F)(F)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009956	0	36	0.0	-10.24	306.58	3.10	-7.13
CN(CCOCC1=CC=CC=C1)C(=O)CCCC1=NNN=N1	REAL000000009957	1	43	0.0	-13.40	353.84	5.81	-7.59
CN(CCOCC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009958	0	46	0.0	-15.77	378.20	8.19	-7.58
CN(CCOCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009959	0	43	0.0	-9.96	362.72	6.11	-3.85
O=C(CCCC1=NNN=N1)N(CC1=CC=CC=C1)CC(O)C1=CSC=C1	REAL000000009960	1	47	0.0	-16.78	398.11	6.16	-10.62
O=C(CCC1=NNN=N1)N(CC1=CC=CC=C1)CC(O)C1=CSC=C1	REAL000000009961	1	44	0.0	-10.47	369.00	6.04	-4.43
COC(=O)C(COC(C)C)N(C)C(=O)CCCC1=NNN=N1	REAL000000009962	1	45	0.0	-14.23	362.73	4.41	-9.82
COC(=O)C(COC(C)C)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009963	0	48	0.0	-16.54	387.05	6.77	-9.77
COC(=O)C(COC(C)C)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009964	0	45	0.0	-10.68	370.51	4.79	-5.89
COC1=CC(N2CCC(CNC(=O)CCCC3=NNN=N3)C2)=CC(OC)=C1	REAL000000009965	1	53	0.0	-18.21	414.56	2.47	-15.74
COC1=CC(N2CCC(CNC(=O)CCC3=NNN=N3)C2)=CC(OC)=C1	REAL000000009966	1	50	0.0	-13.91	395.08	1.65	-12.26
CN1C=CN=C1C1=CSC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000009967	1	36	0.0	-18.66	320.72	4.12	-14.54
CN1C=CN=C1C1=CSC(NC(=O)CCC2=NNN=N2)=N1	REAL000000009968	1	33	0.0	-14.65	299.21	3.34	-11.31
CN1C=CN=C1C1=CSC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000009969	0	39	0.0	-18.02	345.85	6.96	-11.07
CN1C=CN=C1C1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000009970	0	36	0.0	-12.39	331.28	3.90	-8.49
COC(=O)C(COC1CCC1)N(C)C(=O)CCCC1=NNN=N1	REAL000000009971	1	46	0.0	-13.99	369.62	5.05	-8.94
COC(=O)C(COC1CCC1)N(C)C(=O)CCC1=NNN=N1	REAL000000009972	1	43	0.0	-11.01	348.12	4.27	-6.75
COC(=O)C(COC1CCC1)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009973	0	49	0.0	-16.59	393.94	7.42	-9.18
COC(=O)C(COC1CCC1)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009974	0	46	0.0	-10.98	377.32	5.47	-5.52
O=C(CCCC1=NNN=N1)NCC1=CC2=C(C=C1OC(F)F)OCO2	REAL000000009975	1	40	0.0	-17.61	346.75	1.74	-15.86
O=C(CCC1=NNN=N1)NCC1=CC2=C(C=C1OC(F)F)OCO2	REAL000000009976	1	37	0.0	-14.03	325.25	0.96	-13.07
O=C(NCC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009977	0	40	0.0	-13.10	357.34	1.53	-11.57
O=C(CCCC1=NNN=N1)NC1=CC=NC=C1I	REAL000000009978	1	29	0.0	-12.30	275.79	2.81	-9.49
O=C(CCC1=NNN=N1)NC1=CC=NC=C1I	REAL000000009979	1	26	0.0	-8.96	255.18	2.05	-6.91
O=C(NC1=CC=NC=C1I)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009980	0	29	0.0	-8.07	287.28	2.61	-5.46
O=C(CCCC1=NNN=N1)NC1=CC=C(F)C=C1NC1CC1	REAL000000009981	1	39	0.0	-14.55	326.06	4.22	-10.34
O=C(NC1=CC=C(F)C=C1NC1CC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009982	0	42	0.0	-15.31	351.67	7.09	-8.22
O=C(NC1=CC=C(F)C=C1NC1CC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009983	0	39	0.0	-8.68	336.65	4.00	-4.67
CN(C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCC(CO)CC1	REAL000000009984	0	46	0.0	-16.88	353.67	4.79	-12.09
CN(C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCC(CO)CC1	REAL000000009985	0	43	0.0	-11.32	326.17	2.71	-8.61
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)CCCC1=NNN=N1	REAL000000009986	1	44	0.0	-16.64	370.58	5.06	-11.58
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)CCC1=NNN=N1	REAL000000009987	1	41	0.0	-12.10	349.42	4.28	-7.82
CCCNC1=CC=C(C(F)(F)F)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009988	0	44	0.0	-10.50	381.17	4.85	-5.65
CCNC1=CC=C(C#N)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009989	0	39	0.0	-12.85	341.70	3.48	-9.36
COC(=O)C(C)(C)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000009990	0	41	0.0	-20.86	338.81	5.57	-15.29
COC(=O)C(C)(C)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000009991	0	38	0.0	-12.47	324.26	2.50	-9.97
O=C(CCCC1=NNN=N1)N1CCCC1CCC1CCCC1	REAL000000009992	1	49	0.0	-13.83	370.26	7.68	-6.15
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC1CCC1CCCC1	REAL000000009993	0	52	0.0	-14.52	384.50	9.79	-4.73
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1CCC1CCCC1	REAL000000009994	0	49	0.0	-9.37	377.78	7.98	-1.40
O=C(CCCC1=NNN=N1)N1CCCC1CCC1CCCCC1	REAL000000009995	1	52	0.0	-13.63	386.50	8.25	-5.38
O=C(CCC1=NNN=N1)N1CCCC1CCC1CCCCC1	REAL000000009996	1	49	0.0	-9.38	364.83	7.50	-1.88
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCCC1CCC1CCCCC1	REAL000000009997	0	55	0.0	-14.70	401.37	10.38	-4.32
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCCC1CCC1CCCCC1	REAL000000009998	0	52	0.0	-9.16	392.99	8.52	-0.65
O=C(CCCC1=NNN=N1)NCC1=CC=CC=C1C1=CC=C(Cl)C=C1Cl	REAL000000009999	1	43	0.0	-15.21	387.34	7.71	-7.50
O=C(CCC1=NNN=N1)NCC1=CC=CC=C1C1=CC=C(Cl)C=C1Cl	REAL000000010000	1	40	0.0	-11.02	365.85	6.93	-4.08
CC(C)SC1=CC=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000010001	1	40	0.0	-13.01	331.48	5.90	-7.11
CC(C)SC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010002	0	43	0.0	-14.91	358.33	8.71	-6.21
CC(C)SC1=CC=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010003	0	40	0.0	-9.52	342.97	5.71	-3.81
CCCCN1CCC2=CC=C(NC(=O)CCCC3=NNN=N3)C=C21	REAL000000010004	1	48	0.0	-14.82	377.45	5.40	-9.42
CCCCN1CCC2=CC=C(NC(=O)CCC3=NNN=N3)C=C21	REAL000000010005	1	45	0.0	-10.44	357.49	4.76	-5.68
CCCCN1CCC2=CC=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=C21	REAL000000010006	0	48	0.0	-11.09	389.59	5.33	-5.75
C[NH+](C)CC1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL000000010007	0	46	0.0	-78.39	359.06	6.33	-72.07
C[NH+](C)CC1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL000000010007	1	46	0.0	-78.37	359.00	6.32	-72.05
C[NH+](C)CC1CN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL000000010008	0	43	0.0	-62.93	338.10	5.63	-57.30
C[NH+](C)CC1CN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL000000010008	1	43	0.0	-62.93	338.05	5.62	-57.31
CC1=CC(C2=NOC(C(C)NC(=O)CCCC3=NNN=N3)=N2)=CC=C1F	REAL000000010011	1	44	0.0	-14.31	380.44	3.64	-10.67
CC1=CC(C2=NOC(C(C)NC(=O)CCC3=NNN=N3)=N2)=CC=C1F	REAL000000010012	1	41	0.0	-11.03	358.94	2.86	-8.18
CC1=CC(C2=NOC(C(C)NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=N2)=CC=C1F	REAL000000010013	0	44	0.0	-9.72	391.03	3.42	-6.30
CC1=C(C2=CC=C(Br)C=C2)N=C(NC(=O)CCC2=NNN=N2)S1	REAL000000010014	1	36	0.0	-10.94	337.39	5.64	-5.30
CCCCNC1=CC=C(S(=O)(=O)N(C)C)C=C1NC(=O)CCC1=NNN=N1	REAL000000010015	1	52	0.0	-16.73	426.60	2.12	-14.61
COC1=CC=C(C2=CSC(NC(=O)CCCC3=NNN=N3)=N2)C=C1Cl	REAL000000010016	1	40	0.0	-16.98	364.94	5.14	-11.85
COC1=CC=C(C2=CSC(NC(=O)CCC3=NNN=N3)=N2)C=C1Cl	REAL000000010017	1	37	0.0	-13.54	343.44	4.35	-9.19
O=C(CCCC1=NNN=N1)NC1=NC(C2=CC=CC(F)=C2)=CS1	REAL000000010018	1	36	0.0	-15.06	325.88	5.34	-9.72
O=C(CCC1=NNN=N1)NC1=NC(C2=CC=CC(F)=C2)=CS1	REAL000000010019	1	33	0.0	-11.25	304.39	4.55	-6.70
O=C(NC1=NC(C2=CC=CC(F)=C2)=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010020	0	36	0.0	-9.59	336.45	5.12	-4.47
CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCCC3=NNN=N3)=N2)C(F)=C1	REAL000000010021	1	43	0.0	-20.65	379.15	4.16	-16.49
CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCC3=NNN=N3)=N2)C(F)=C1	REAL000000010022	1	40	0.0	-16.97	357.63	3.38	-13.59
O=C(CCCC1=NNN=N1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL000000010023	1	39	0.0	-16.02	358.57	6.27	-9.75
O=C(CCC1=NNN=N1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL000000010024	1	36	0.0	-12.64	337.07	5.49	-7.15
O=C(CCCC1=NNN=N1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL000000010025	1	36	0.0	-14.60	336.20	5.78	-8.82
O=C(CCC1=NNN=N1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL000000010026	1	33	0.0	-10.80	314.70	5.00	-5.80
O=C(NC1=NC(C2=CC=CC(Cl)=C2)=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010027	0	36	0.0	-9.19	346.77	5.56	-3.63
O=C(CCCC1=NNN=N1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL000000010028	1	36	0.0	-17.50	327.23	5.51	-11.99
O=C(CCC1=NNN=N1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL000000010029	1	33	0.0	-13.70	305.73	4.73	-8.97
O=C(NC1=NC(C2=C(F)C=CC=C2F)=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010030	0	36	0.0	-12.42	337.80	5.29	-7.12
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCCC2=NNN=N2)=N1	REAL000000010031	1	40	0.0	-16.84	353.06	5.09	-11.75
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCC2=NNN=N2)=N1	REAL000000010032	1	37	0.0	-13.00	331.57	4.31	-8.69
COC1=CC=C(F)C=C1C1=CSC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000010033	0	40	0.0	-11.58	363.63	4.87	-6.71
CCCC(NC(=O)CCCC1=NNN=N1)C1=CC=C(F)C=C1F	REAL000000010034	1	42	0.0	-15.65	346.17	5.86	-9.79
CCCC(NC(=O)CCC1=NNN=N1)C1=CC=C(F)C=C1F	REAL000000010035	1	39	0.0	-11.18	324.66	5.08	-6.10
CCCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(F)C=C1F	REAL000000010036	0	45	0.0	-17.04	371.70	8.67	-8.37
CCCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(F)C=C1F	REAL000000010037	0	42	0.0	-9.85	365.95	6.33	-3.52
COC1=CC=C(OC(F)F)C(CNC(=O)CCCC2=NNN=N2)=C1	REAL000000010038	1	41	0.0	-15.94	350.19	2.39	-13.55
COC1=CC=C(OC(F)F)C(CNC(=O)CCC2=NNN=N2)=C1	REAL000000010039	1	38	0.0	-12.22	328.69	1.61	-10.61
COC1=CC=C(OC(F)F)C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000010040	0	44	0.0	-17.23	375.74	5.20	-12.03
COC1=CC=C(OC(F)F)C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000010041	0	41	0.0	-11.66	360.79	2.17	-9.49
O=C(CCCC1=NNN=N1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL000000010042	1	35	0.0	-15.71	325.14	4.60	-11.11
O=C(CCC1=NNN=N1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL000000010043	1	32	0.0	-12.24	303.64	3.82	-8.42
O=C(NCC1=CC([N+](=O)[O-])=CC=C1Cl)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010044	0	38	0.0	-16.99	350.69	7.42	-9.57
O=C(NCC1=CC([N+](=O)[O-])=CC=C1Cl)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010045	0	35	0.0	-11.26	335.73	4.38	-6.88
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000010046	1	49	0.0	-13.80	392.89	5.87	-7.94
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000010047	1	46	0.0	-10.04	371.39	5.09	-4.96
CCC(C)OC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010048	0	52	0.0	-15.83	418.24	8.71	-7.12
CCC(C)OC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010049	0	49	0.0	-9.79	403.49	5.65	-4.14
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCSC2COCCC21	REAL000000010050	0	42	0.0	-15.30	331.01	5.86	-9.44
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCSC2COCCC21	REAL000000010051	0	39	0.0	-8.71	315.44	3.63	-5.07
O=C(CCCC1=NNN=N1)N1CCC2=CC=C(F)C(F)=C2C1	REAL000000010052	1	37	0.0	-13.94	310.80	5.89	-8.05
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=CC=C(F)C(F)=C2C1	REAL000000010053	0	40	0.0	-15.46	334.83	8.40	-7.06
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=CC=C(F)C(F)=C2C1	REAL000000010054	0	37	0.0	-10.82	318.53	6.18	-4.64
CC(C)C[C@H](NC(=O)CCCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000010055	1	50	0.0	-11.60	386.50	5.49	-6.10
CC(C)C[C@H](NC(=O)CCC1=NNN=N1)C(=O)OC(C)(C)C	REAL000000010056	1	47	0.0	-7.90	358.66	4.57	-3.33
CC(C)C[C@H](NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C(=O)OC(C)(C)C	REAL000000010057	0	53	0.0	-12.94	412.22	8.32	-4.62
CC(C)C[C@H](NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(=O)OC(C)(C)C	REAL000000010058	0	50	0.0	-8.35	396.92	5.26	-3.08
CC(NC(=O)CCCC1=NNN=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010059	1	41	0.0	-14.29	353.74	2.75	-11.54
CC(NC(=O)CCC1=NNN=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010060	1	38	0.0	-10.89	332.24	1.98	-8.91
CC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010061	0	44	0.0	-15.53	379.29	5.57	-9.97
CC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL000000010062	0	41	0.0	-10.56	364.34	2.54	-8.02
CCCNC1=CC=C(Cl)C=C1NC(=O)CCCC1=NNN=N1	REAL000000010063	1	41	0.0	-15.52	347.66	4.56	-10.95
CCCNC1=CC=C(Cl)C=C1NC(=O)CCC1=NNN=N1	REAL000000010064	1	38	0.0	-11.04	326.16	3.78	-7.26
CCCNC1=CC=C(Cl)C=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010065	0	44	0.0	-16.87	374.25	7.45	-9.42
CCCNC1=CC=C(Cl)C=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010066	0	41	0.0	-9.63	359.22	4.36	-5.27
O=C(CCCC1=NNN=N1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL000000010067	1	37	0.0	-16.42	330.48	2.42	-14.01
O=C(CCC1=NNN=N1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL000000010068	1	34	0.0	-12.75	308.98	1.63	-11.12
O=C(NC1=NC(C2=CC=C(O)C=C2)=CS1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010069	0	40	0.0	-16.18	355.60	5.26	-10.92
O=C(NC1=NC(C2=CC=C(O)C=C2)=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010070	0	37	0.0	-11.38	341.04	2.20	-9.18
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCCC1=NNN=N1	REAL000000010071	1	44	0.0	-21.84	384.25	1.24	-20.60
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCC1=NNN=N1	REAL000000010072	1	41	0.0	-17.42	362.73	0.46	-16.96
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCCC1=NNN=N1	REAL000000010073	1	48	0.0	-23.33	404.64	-0.09	-23.42
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCC1=NNN=N1	REAL000000010074	1	45	0.0	-19.46	383.16	-0.87	-20.32
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCCC2=NNN=N2)=C1	REAL000000010075	1	50	0.0	-25.34	419.60	-1.46	-26.79
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCC2=NNN=N2)=C1	REAL000000010076	1	47	0.0	-18.07	399.06	-2.23	-20.30
COC1=CC(F)=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1F	REAL000000010077	0	37	0.0	-16.04	322.99	5.73	-10.31
COC1=CC(F)=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1F	REAL000000010078	0	34	0.0	-10.00	307.84	2.65	-7.36
O=C(CCCC1=NNN=N1)NC1=NN=C(CC(F)(F)F)S1	REAL000000010079	1	31	0.0	-23.57	300.38	2.65	-20.92
O=C(CCC1=NNN=N1)NC1=NN=C(CC(F)(F)F)S1	REAL000000010080	1	28	0.0	-18.45	278.88	1.86	-16.59
O=C(NC1=NN=C(CC(F)(F)F)S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010081	0	34	0.0	-23.79	326.01	5.60	-18.19
O=C(NC1=NN=C(CC(F)(F)F)S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010082	0	31	0.0	-15.52	311.46	2.54	-12.98
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=C(Cl)C=CC=C21	REAL000000010083	0	37	0.0	-17.36	316.27	8.40	-8.96
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=C(Cl)C=CC=C21	REAL000000010084	0	34	0.0	-9.49	304.22	6.26	-3.23
CC(C)CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCC1	REAL000000010087	0	48	0.0	-14.39	361.27	8.05	-6.34
CC(C)CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCC1	REAL000000010088	0	45	0.0	-7.68	346.52	4.98	-2.70
O=C(CCCC1=NNN=N1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL000000010089	1	50	0.0	-17.82	407.20	5.84	-11.98
O=C(CCC1=NNN=N1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL000000010090	1	47	0.0	-14.23	385.71	5.06	-9.17
O=C(CCC1=CC=CC=C1)N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000010091	0	50	0.0	-13.71	418.95	5.64	-8.08
O=C(CCC1=NNN=N1)NC1=CC=CN(CC(F)(F)F)C1=O	REAL000000010093	1	33	0.0	-21.83	299.84	3.44	-18.39
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000010096	1	52	0.0	-13.79	418.71	6.81	-6.98
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000010097	1	49	0.0	-10.04	397.22	6.02	-4.02
CCCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010098	0	55	0.0	-15.88	443.83	9.66	-6.22
CCCCCOC1=CC(C)=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010099	0	52	0.0	-9.77	429.31	6.59	-3.18
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCCC1=NNN=N1	REAL000000010100	1	42	0.0	-23.83	360.63	1.90	-21.93
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCC1=NNN=N1	REAL000000010101	1	39	0.0	-19.87	339.14	1.11	-18.76
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010102	0	45	0.0	-25.12	384.70	4.72	-20.40
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010103	0	42	0.0	-17.97	371.16	1.75	-16.22
COC(=O)C(NC(=O)CCCC1=NNN=N1)C1=CC=CC=C1F	REAL000000010104	1	39	0.0	-19.38	338.73	4.67	-14.71
COC(=O)C(NC(=O)CCC1=NNN=N1)C1=CC=CC=C1F	REAL000000010105	1	36	0.0	-15.09	316.89	3.85	-11.23
COC(=O)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CC=C1F	REAL000000010106	0	42	0.0	-21.51	364.00	7.49	-14.02
COC(=O)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CC=C1F	REAL000000010107	0	39	0.0	-13.96	348.91	4.43	-9.54
COCCOCCN(CC1=CC=CC=C1)C(=O)CCCC1=NNN=N1	REAL000000010108	1	50	0.0	-18.54	401.17	6.44	-12.10
COCCOCCN(CC1=CC=CC=C1)C(=O)CCC1=NNN=N1	REAL000000010109	1	47	0.0	-13.95	379.67	5.65	-8.30
COCCOCCN(CC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010110	0	53	0.0	-18.28	426.96	8.41	-9.88
COCCOCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010111	0	50	0.0	-10.93	409.04	7.17	-3.76
CC(C)(C)C1=NN=C(CNC(=O)CCCC2=NNN=N2)S1	REAL000000010112	1	40	0.0	-15.74	344.04	2.11	-13.62
CC(C)(C)C1=NN=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)S1	REAL000000010113	0	43	0.0	-16.70	369.59	4.93	-11.77
CC(C)(C)C1=NN=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)S1	REAL000000010114	0	40	0.0	-11.61	354.64	1.90	-9.71
O=C(CCCC1=NNN=N1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010115	1	49	0.0	-13.08	384.73	9.00	-4.09
O=C(CCC1=NNN=N1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010116	1	46	0.0	-9.04	362.98	8.20	-0.84
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010117	0	52	0.0	-14.86	403.30	11.44	-3.42
O=C(C1=CC=C(C2=NNN=N2)C=N1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL000000010118	0	49	0.0	-9.46	385.31	9.56	0.09
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2(CCOC2)C1	REAL000000010119	0	41	0.0	-20.05	320.13	4.86	-15.18
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2(CCOC2)C1	REAL000000010120	0	38	0.0	-11.50	307.19	2.75	-8.75
CS(=O)(=O)NC1CCCC1CNC(=O)CCCC1=NNN=N1	REAL000000010121	1	44	0.0	-21.45	365.85	-0.85	-22.31
CS(=O)(=O)NC1CCCC1CNC(=O)CCC1=NNN=N1	REAL000000010122	1	41	0.0	-19.09	337.95	-1.32	-20.41
CS(=O)(=O)NC1CCCC1CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010123	0	47	0.0	-24.47	386.87	2.26	-22.22
CS(=O)(=O)NC1CCCC1CNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010124	0	44	0.0	-18.69	375.83	-0.97	-19.66
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)CCCC1=NNN=N1	REAL000000010125	1	44	0.0	-17.82	357.51	3.11	-14.71
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)CCC1=NNN=N1	REAL000000010126	1	41	0.0	-14.14	336.01	2.32	-11.82
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010127	0	47	0.0	-22.61	372.68	4.43	-18.19
CC1CN(C2=NC=CN=C2C#N)CCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010128	0	44	0.0	-15.27	357.83	2.27	-13.00
O=C(CCCC1=NNN=N1)NCCCC1=CC=C2OCCOC2=C1	REAL000000010129	1	45	0.0	-17.56	370.03	4.20	-13.36
O=C(NCCCC1=CC=C2OCCOC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010131	0	48	0.0	-19.24	395.18	7.05	-12.18
O=C(NCCCC1=CC=C2OCCOC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010132	0	45	0.0	-12.92	380.62	3.98	-8.94
CC1=CC=C(CNC(=O)CCCC2=NNN=N2)C(OC(C)CC(C)C)=C1	REAL000000010133	1	55	0.0	-13.70	431.60	7.17	-6.53
CC1=CC=C(CNC(=O)CCC2=NNN=N2)C(OC(C)CC(C)C)=C1	REAL000000010134	1	52	0.0	-9.91	410.10	6.39	-3.52
CC1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(OC(C)CC(C)C)=C1	REAL000000010135	0	55	0.0	-9.70	442.19	6.95	-2.75
O=C(CCC1=NNN=N1)N(CC1=CC=CC(C(F)(F)F)=C1)CC1=CC=CC=N1	REAL000000010136	1	45	0.0	-11.23	389.81	8.09	-3.13
O=C(CC1CCCN1C(=O)CCCC1=NNN=N1)C1=CC=CO1	REAL000000010137	1	42	0.0	-18.09	345.83	5.29	-12.80
O=C(CC1CCCN1C(=O)CCC1=NNN=N1)C1=CC=CO1	REAL000000010138	1	39	0.0	-13.71	324.34	4.50	-9.22
O=C(CC1CCCN1C(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CO1	REAL000000010139	0	45	0.0	-22.12	367.66	7.62	-14.49
O=C(CC1CCCN1C(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CO1	REAL000000010140	0	42	0.0	-13.16	352.80	5.53	-7.63
CC(C)(C)C(NC(=O)CCCC1=NNN=N1)C1=CC=C(F)C=C1F	REAL000000010141	1	45	0.0	-15.57	352.23	6.10	-9.47
CC(C)(C)C(NC(=O)CCC1=NNN=N1)C1=CC=C(F)C=C1F	REAL000000010142	1	42	0.0	-11.89	337.81	5.87	-6.01
CC(C)(C)C(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=C(F)C=C1F	REAL000000010143	0	48	0.0	-17.86	382.69	9.29	-8.57
CC(C)(C)C(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=C(F)C=C1F	REAL000000010144	0	45	0.0	-9.08	362.78	5.89	-3.19
CCC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCCC1	REAL000000010145	0	45	0.0	-14.70	345.45	7.15	-7.54
CCC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCCC1	REAL000000010146	0	42	0.0	-7.73	329.45	4.27	-3.46
COC(=O)COC1=C2C=CC=CC2=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010147	1	46	0.0	-20.67	384.75	6.75	-13.92
COC(=O)COC1=C2C=CC=CC2=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000010148	1	43	0.0	-16.76	363.25	5.97	-10.80
CN(CC1=CC(Br)=CN1C)C(=O)CCCC1=NNN=N1	REAL000000010149	1	37	0.0	-12.03	319.61	5.62	-6.42
CN(CC1=CC(Br)=CN1C)C(=O)CCC1=NNN=N1	REAL000000010150	1	34	0.0	-8.80	298.43	4.84	-3.96
CN(CC1=CC(Br)=CN1C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010151	0	40	0.0	-10.31	343.74	8.12	-2.19
CN(CC1=CC(Br)=CN1C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010152	0	37	0.0	-8.80	326.94	6.00	-2.81
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000010153	1	51	0.0	-14.50	389.29	6.17	-8.33
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000010154	1	48	0.0	-10.18	367.79	5.38	-4.80
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010155	0	54	0.0	-15.88	415.48	8.93	-6.95
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010156	0	51	0.0	-8.68	400.82	5.97	-2.71
CC1=COC(C2=CC=CC(NC(=O)CCCC3=NNN=N3)=C2)=N1	REAL000000010157	1	39	0.0	-21.20	334.76	2.48	-18.72
CC1=COC(C2=CC=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)=N1	REAL000000010158	0	42	0.0	-22.66	360.21	5.36	-17.30
CC1=COC(C2=CC=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)=N1	REAL000000010159	0	39	0.0	-14.95	345.36	2.26	-12.69
O=C(NC1CCOC2(CCCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010160	0	47	0.0	-15.09	359.90	6.07	-9.02
O=C(NC1CCOC2(CCCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010161	0	44	0.0	-8.47	345.36	3.00	-5.47
O=C(CCCC1=NNN=N1)NC1CCOC2(CCCCC2)C1	REAL000000010162	1	47	0.0	-13.26	350.16	3.96	-9.30
O=C(NC1CCOC2(CCCCC2)C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010163	0	50	0.0	-14.91	375.32	6.82	-8.09
O=C(NC1CCOC2(CCCCC2)C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010164	0	47	0.0	-8.30	360.76	3.76	-4.54
CC1=NN(C2=CC=CC=C2CNC(=O)CCCC2=NNN=N2)C(C)=C1	REAL000000010165	1	46	0.0	-16.59	378.98	6.63	-9.96
CC1=NN(C2=CC=CC=C2CNC(=O)CCC2=NNN=N2)C(C)=C1	REAL000000010166	1	43	0.0	-13.00	357.48	5.84	-7.16
CC1=NN(C2=CC=CC=C2CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=C1	REAL000000010167	0	49	0.0	-19.03	404.57	9.45	-9.58
CC1=NN(C2=CC=CC=C2CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)=C1	REAL000000010168	0	46	0.0	-14.39	390.27	5.71	-8.68
O=C(CCCC1=NNN=N1)N1CCN(CC2=CC=CC(Cl)=C2)C(=O)C1	REAL000000010169	1	44	0.0	-15.42	373.51	6.16	-9.25
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN(CC2=CC=CC(Cl)=C2)C(=O)C1	REAL000000010171	0	44	0.0	-14.61	380.73	6.46	-8.15
O=C(CCCC1=NNN=N1)NC(C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL000000010172	1	43	0.0	-18.98	380.65	8.12	-10.86
O=C(CCC1=NNN=N1)NC(C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL000000010173	1	40	0.0	-14.08	359.14	7.34	-6.74
CN1C2=CC=CC(F)=C2N=C1NC(=O)CCCC1=NNN=N1	REAL000000010174	1	36	0.0	-29.27	311.86	6.61	-22.65
CN1C2=CC=CC(F)=C2N=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010175	0	39	0.0	-30.80	337.00	9.46	-21.33
CN1C2=CC=CC(F)=C2N=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010176	0	36	0.0	-20.96	322.44	6.39	-14.57
CC1=CC(Cl)=NC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010177	0	35	0.0	-18.54	312.86	5.74	-12.80
CC1=CC(Cl)=NC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010178	0	32	0.0	-11.10	296.90	2.62	-8.48
O=C(CCCC1=NNN=N1)NCC1=CC(Cl)=CC(Cl)=C1OC(F)F	REAL000000010179	1	37	0.0	-14.37	351.61	4.09	-10.28
O=C(CCC1=NNN=N1)NCC1=CC(Cl)=CC(Cl)=C1OC(F)F	REAL000000010180	1	34	0.0	-10.83	330.10	3.29	-7.54
O=C(CCCC1=NNN=N1)NCC1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL000000010181	1	47	0.0	-19.79	400.74	5.57	-14.22
O=C(CCC1=NNN=N1)NCC1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL000000010182	1	44	0.0	-15.81	379.24	4.79	-11.02
CC1=CC=C(C2=CC=CC(CNC(=O)CCCC3=NNN=N3)=C2)C=C1	REAL000000010183	1	46	0.0	-14.23	378.14	7.58	-6.65
CC1=CC=C(C2=CC=CC(CNC(=O)CCC3=NNN=N3)=C2)C=C1	REAL000000010184	1	43	0.0	-10.53	356.64	6.79	-3.74
CC1=CC=C(C2=CC=CC(CNC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=C2)C=C1	REAL000000010185	0	49	0.0	-15.61	403.29	10.42	-5.19
CC1=CC=C(C2=CC=CC(CNC(=O)C3=CC=C(C4=NNN=N4)C=N3)=C2)C=C1	REAL000000010186	0	46	0.0	-9.90	388.74	7.36	-2.54
CC1(C)CC(NC(=O)CCCC2=NNN=N2)C2=CC=CC=C2O1	REAL000000010187	1	44	0.0	-14.60	344.09	4.48	-10.12
CC1(C)CC(NC(=O)CCC2=NNN=N2)C2=CC=CC=C2O1	REAL000000010188	1	41	0.0	-10.89	322.59	3.70	-7.19
CC1(C)CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2=CC=CC=C2O1	REAL000000010189	0	47	0.0	-16.28	369.19	7.33	-8.95
CC1(C)CC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C2=CC=CC=C2O1	REAL000000010190	0	44	0.0	-10.12	354.64	4.27	-5.85
O=C(NC1C2C1C1CCC2C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010191	0	41	0.0	-15.77	306.09	8.64	-7.13
CN(C(=O)CNC(=O)CCCC1=NNN=N1)C1CCCCC1	REAL000000010192	1	46	0.0	-13.83	357.49	3.46	-10.37
CN(C(=O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCCCC1	REAL000000010193	0	49	0.0	-15.05	382.63	6.31	-8.74
CN(C(=O)CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCCCC1	REAL000000010194	0	46	0.0	-11.58	368.08	3.24	-8.33
CC(C)(C)OC(=O)N(CCNC(=O)CCCC1=NNN=N1)C1CCCCCC1	REAL000000010195	1	62	0.0	-18.20	458.69	6.83	-11.37
CC(C)(C)OC(=O)N(CCNC(=O)CCC1=NNN=N1)C1CCCCCC1	REAL000000010196	1	59	0.0	-14.08	438.07	6.10	-7.98
O=C(NC1CCC2=CNN=C2C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010197	0	40	0.0	-21.20	328.12	4.56	-16.64
O=C(NC1CCC2=CNN=C2C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010198	0	37	0.0	-13.63	313.59	1.50	-12.14
O=C(NCC1CCCS1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010199	0	37	0.0	-14.69	313.61	5.85	-8.85
CC(C)(CNC(=O)CCCC1=NNN=N1)CC1=CC=CC(Cl)=C1	REAL000000010200	1	45	0.0	-13.71	369.21	6.62	-7.10
CC(C)(CNC(=O)CCC1=NNN=N1)CC1=CC=CC(Cl)=C1	REAL000000010201	1	42	0.0	-10.04	347.80	5.83	-4.21
CC(C)(CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)CC1=CC=CC(Cl)=C1	REAL000000010202	0	48	0.0	-15.37	394.45	9.46	-5.91
CC(C)(CNC(=O)C1=CC=C(C2=NNN=N2)C=N1)CC1=CC=CC(Cl)=C1	REAL000000010203	0	45	0.0	-9.18	379.81	6.40	-2.78
CC1=CC=CC(C)=C1OCC(NC(=O)CCCC1=NNN=N1)C(C)(C)C	REAL000000010204	1	55	0.0	-11.97	407.37	7.50	-4.46
CC1=CC=CC(C)=C1OCC(NC(=O)CCC1=NNN=N1)C(C)(C)C	REAL000000010205	1	52	0.0	-10.06	399.85	6.62	-3.44
CC1=CC=CC(C)=C1OCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C(C)(C)C	REAL000000010206	0	55	0.0	-8.16	417.95	7.29	-0.86
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN2C(=NN=C2C2CCCC2)C1	REAL000000010209	0	49	0.0	-19.69	382.72	8.83	-10.86
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN2C(=NN=C2C2CCCC2)C1	REAL000000010210	0	46	0.0	-14.90	367.51	6.68	-8.22
CCCCC(NC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1CCC1	REAL000000010211	0	48	0.0	-14.02	373.79	8.57	-5.45
CCCCC(NC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1CCC1	REAL000000010212	0	45	0.0	-7.46	358.84	5.55	-1.91
CC1=CC(OCC(=O)N2CCN(C(=O)CCCC3=NNN=N3)CC2)=CC(C)=C1	REAL000000010213	1	54	0.0	-26.58	427.69	7.59	-18.99
CC1=CC(OCC(=O)N2CCN(C(=O)CCC3=NNN=N3)CC2)=CC(C)=C1	REAL000000010214	1	51	0.0	-20.92	406.20	6.79	-14.12
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL000000010217	0	40	0.0	-14.82	353.22	9.13	-5.69
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL000000010218	0	37	0.0	-8.87	337.30	7.00	-1.87
O=C(CCCC1=NNN=N1)NNC(=O)C(=O)NC1=CC=CC=N1	REAL000000010219	1	37	0.0	-20.19	328.77	0.19	-20.00
O=C(CCC1=NNN=N1)NNC(=O)C(=O)NC1=CC=CC=N1	REAL000000010220	1	34	0.0	-16.08	307.27	-0.59	-16.67
COC(=O)C1=CC(NC(=O)CCCC2=NNN=N2)=CC(S(C)(=O)=O)=C1	REAL000000010222	1	42	0.0	-26.66	371.90	1.57	-25.08
COC(=O)C1=CC(NC(=O)CCC2=NNN=N2)=CC(S(C)(=O)=O)=C1	REAL000000010223	1	39	0.0	-22.37	350.40	0.80	-21.58
CN(CCC(=O)OC(C)(C)C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010224	0	47	0.0	-17.89	375.58	7.78	-10.11
CN(CCC(=O)OC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010225	0	44	0.0	-11.31	358.77	5.80	-5.51
COCCC1=NOC(CN(C)C(=O)CCCC2=NNN=N2)=N1	REAL000000010226	1	41	0.0	-17.48	347.07	0.91	-16.57
COCCC1=NOC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)=N1	REAL000000010227	0	44	0.0	-18.80	370.45	3.42	-15.39
COCCC1=NOC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)=N1	REAL000000010228	0	41	0.0	-12.51	354.73	1.29	-11.21
O=C(CCCC1=NNN=N1)NC(C1=CC=CC(F)=C1)C1CCCC1	REAL000000010229	1	46	0.0	-15.91	364.55	7.36	-8.55
O=C(CCC1=NNN=N1)NC(C1=CC=CC(F)=C1)C1CCCC1	REAL000000010230	1	43	0.0	-10.90	338.18	5.94	-4.96
O=C(NC(C1=CC=CC(F)=C1)C1CCCC1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010231	0	49	0.0	-16.93	385.59	9.50	-7.43
O=C(NC(C1=CC=CC(F)=C1)C1CCCC1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010232	0	46	0.0	-9.94	381.61	7.10	-2.84
CC1=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C(C(N)=O)S1	REAL000000010233	0	37	0.0	-25.25	326.62	2.89	-22.36
CC1=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C(C(N)=O)S1	REAL000000010234	0	34	0.0	-16.80	311.86	-0.20	-17.00
CCOCC(C(=O)OC)N(C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010235	0	45	0.0	-16.81	366.77	6.02	-10.80
CCOCC(C(=O)OC)N(C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010236	0	42	0.0	-10.85	350.24	4.04	-6.81
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL000000010237	0	53	0.0	-69.09	393.37	4.64	-64.45
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL000000010237	1	53	0.0	-69.08	393.32	4.64	-64.44
CC(C)[NH+]1CCN(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)CC1	REAL000000010238	0	50	0.0	-61.74	371.88	3.86	-57.88
CC(C)[NH+]1CCN(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)CC1	REAL000000010238	1	50	0.0	-61.74	371.82	3.86	-57.88
CC(CC(=O)C1=CC=CO1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010241	0	41	0.0	-22.25	351.38	6.24	-16.01
CC(CC(=O)C1=CC=CO1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010242	0	38	0.0	-15.15	336.83	3.16	-11.99
CC1=NN=C(C(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)O1	REAL000000010243	0	37	0.0	-15.51	320.35	0.10	-15.41
CC1=NN=C(C(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)O1	REAL000000010244	0	34	0.0	-11.49	305.40	-2.93	-14.42
O=C(CCCC1=NNN=N1)NC1=CC=C2C=CC=C(Br)C2=N1	REAL000000010245	1	35	0.0	-23.10	319.44	5.93	-17.17
O=C(CCC1=NNN=N1)NC1=CC=C2C=CC=C(Br)C2=N1	REAL000000010246	1	32	0.0	-18.31	297.94	5.15	-13.15
O=C(NC1=CC=C2C=CC=C(Br)C2=N1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010247	0	35	0.0	-16.86	330.02	5.72	-11.15
CCC1CCCC1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010248	0	42	0.0	-14.98	332.50	6.81	-8.17
O=C(NC1=CC=C2COCC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010249	0	38	0.0	-16.77	318.42	5.48	-11.29
O=C(NC1=CC=C2COCC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010250	0	35	0.0	-10.69	303.00	2.48	-8.21
O=C(CCCC1=NNN=N1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010251	1	47	0.0	-15.40	378.16	6.90	-8.50
O=C(CCC1=NNN=N1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010252	1	44	0.0	-11.13	356.63	6.11	-5.02
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010253	0	50	0.0	-17.36	402.26	9.38	-7.97
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCC(OCC2=CC=CC=C2F)CC1	REAL000000010254	0	47	0.0	-10.59	385.88	7.13	-3.46
CC(=O)OC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000010255	0	42	0.0	-17.10	339.50	7.00	-10.09
CC(=O)OC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000010256	0	39	0.0	-11.63	323.79	4.77	-6.86
O=C(CCCC1=NNN=N1)NC1=CN=C(C2=CC=CC=C2)S1	REAL000000010257	1	36	0.0	-16.84	321.48	4.41	-12.43
O=C(CCC1=NNN=N1)NC1=CN=C(C2=CC=CC=C2)S1	REAL000000010258	1	33	0.0	-12.78	299.98	3.63	-9.15
O=C(NC1=CN=C(C2=CC=CC=C2)S1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010259	0	39	0.0	-17.31	346.61	7.26	-10.05
O=C(NC1=CN=C(C2=CC=CC=C2)S1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010260	0	36	0.0	-10.83	332.04	4.20	-6.63
COC(=O)CC(NC(=O)CCCC1=NNN=N1)C1=CC=C(OC)C=C1OC	REAL000000010261	1	50	0.0	-21.89	413.25	4.50	-17.39
COC(=O)CC(NC(=O)CCC1=NNN=N1)C1=CC=C(OC)C=C1OC	REAL000000010262	1	47	0.0	-17.30	391.82	3.76	-13.54
O=C(CCCC1=NNN=N1)NC(CC(F)(F)F)C1=CC=C(F)C=C1	REAL000000010263	1	39	0.0	-16.47	333.23	5.36	-11.11
O=C(CCC1=NNN=N1)NC(CC(F)(F)F)C1=CC=C(F)C=C1	REAL000000010264	1	36	0.0	-12.58	311.68	4.58	-8.00
O=C(NC(CC(F)(F)F)C1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010265	0	42	0.0	-18.53	358.71	8.18	-10.34
O=C(NC(CC(F)(F)F)C1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010266	0	39	0.0	-11.51	343.80	5.16	-6.36
CC1(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC2=CC=CC=C2C1	REAL000000010267	0	46	0.0	-15.76	369.04	8.86	-6.90
CC1(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)CC2=CC=CC=C2C1	REAL000000010268	0	43	0.0	-9.17	354.48	5.80	-3.38
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1[NH+]1CCN(C)CC1	REAL000000010269	0	53	0.0	-71.97	382.15	4.36	-67.61
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1[NH+]1CCN(C)CC1	REAL000000010269	1	53	0.0	-71.95	382.09	4.35	-67.60
CC1CN(C(=O)CCC2=NN=N[N-]2)CCC1[NH+]1CCN(C)CC1	REAL000000010270	0	50	0.0	-61.43	360.67	3.58	-57.84
CC1CN(C(=O)CCC2=N[N-]N=N2)CCC1[NH+]1CCN(C)CC1	REAL000000010270	1	50	0.0	-61.42	360.62	3.57	-57.85
COCCNC(=O)[C@H](CC(C)C)NC(=O)CCCC1=NNN=N1	REAL000000010273	1	49	0.0	-13.61	389.97	1.28	-12.33
COCCNC(=O)[C@H](CC(C)C)NC(=O)CCC1=NNN=N1	REAL000000010274	1	46	0.0	-10.42	361.84	0.03	-10.39
COCCNC(=O)[C@H](CC(C)C)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010275	0	52	0.0	-14.84	414.93	4.10	-10.74
COCCNC(=O)[C@H](CC(C)C)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010276	0	49	0.0	-10.97	400.36	1.08	-9.88
COC1=CC=CC(COC2=CC=CC(NC(=O)CCCC3=NNN=N3)=C2C)=C1	REAL000000010277	1	51	0.0	-17.07	413.64	6.90	-10.18
COC1=CC=CC(COC2=CC=CC(NC(=O)CCC3=NNN=N3)=C2C)=C1	REAL000000010278	1	48	0.0	-13.20	392.15	6.12	-7.08
CC(C)C(=O)NCCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010279	0	45	0.0	-23.23	369.91	3.95	-19.28
CC(C)C(=O)NCCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010280	0	42	0.0	-15.48	355.35	0.89	-14.59
CC(=O)N1CCC(CN(C)C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010281	0	46	0.0	-27.66	364.08	6.25	-21.41
CC(=O)N1CCC(CN(C)C(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000010282	0	43	0.0	-19.21	349.03	4.22	-14.99
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL000000010283	0	51	0.0	-70.75	383.50	8.08	-62.66
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL000000010283	1	51	0.0	-73.54	380.97	8.42	-65.12
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCC1=NN=N[N-]1	REAL000000010284	0	48	0.0	-59.37	362.00	7.29	-52.07
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCC1=NN=N[N-]1	REAL000000010284	1	48	0.0	-59.12	363.79	7.48	-51.64
CC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)CN1CC1=CC=CC=C1	REAL000000010285	1	54	0.0	-14.52	407.80	8.22	-6.31
CC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)CN1CC1=CC=CC=C1	REAL000000010286	0	51	0.0	-9.40	396.73	6.64	-2.77
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOCC1C1=NOC=N1	REAL000000010287	0	39	0.0	-21.25	318.65	1.62	-19.63
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOCC1C1=NOC=N1	REAL000000010288	0	36	0.0	-14.22	303.07	-0.48	-14.69
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)CCCC1=NNN=N1	REAL000000010289	1	45	0.0	-18.54	379.20	6.34	-12.20
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)CCC1=NNN=N1	REAL000000010290	1	42	0.0	-15.01	357.70	5.56	-9.44
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010291	0	48	0.0	-21.42	404.35	9.19	-12.23
CC(CC(=O)OCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010292	0	45	0.0	-14.62	389.79	6.13	-8.48
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(CCC3=CC=CC=C32)C1	REAL000000010295	0	48	0.0	-17.09	372.32	8.33	-8.76
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(CCC3=CC=CC=C32)C1	REAL000000010296	0	45	0.0	-9.91	357.13	6.11	-3.80
CS(=O)(=O)N1CCC(CNC(=O)CCCC2=NNN=N2)C1	REAL000000010297	1	41	0.0	-24.12	346.36	-0.61	-24.73
CS(=O)(=O)N1CCC(CNC(=O)CCC2=NNN=N2)C1	REAL000000010298	1	38	0.0	-20.11	324.12	-1.41	-21.52
CS(=O)(=O)N1CCC(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010299	0	44	0.0	-23.12	371.03	2.23	-20.89
CS(=O)(=O)N1CCC(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C1	REAL000000010300	0	41	0.0	-17.04	356.72	-0.84	-17.88
COC(=O)C1=CC=C(CNC(=O)CCCC2=NNN=N2)C=C1OC	REAL000000010301	1	43	0.0	-19.17	364.66	4.21	-14.96
COC(=O)C1=CC=C(CNC(=O)CCC2=NNN=N2)C=C1OC	REAL000000010302	1	40	0.0	-15.73	343.15	3.43	-12.31
COC(=O)C1=CC=C(CNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1OC	REAL000000010303	0	46	0.0	-20.03	389.81	7.05	-12.98
COC(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1OC	REAL000000010304	0	43	0.0	-14.61	375.25	3.99	-10.62
O=C(NCCCC1=CC=CS1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010305	0	39	0.0	-15.61	340.90	6.99	-8.62
O=C(NCCCC1=CC=CS1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010306	0	36	0.0	-9.19	326.34	3.93	-5.26
O=C(NCCSCC(F)(F)F)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010307	0	36	0.0	-19.40	332.88	5.86	-13.54
O=C(NCCSCC(F)(F)F)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010308	0	33	0.0	-11.75	318.32	2.80	-8.95
O=C(CCCC1=NNN=N1)N1CCNC(=O)C1C1=CC=CC(Br)=C1	REAL000000010309	1	41	0.0	-21.70	352.52	3.75	-17.95
O=C(CCC1=NNN=N1)N1CCNC(=O)C1C1=CC=CC(Br)=C1	REAL000000010310	1	38	0.0	-16.26	331.02	2.97	-13.30
O=C(CCCC1=NNN=N1)NCCC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000010311	1	50	0.0	-17.79	415.29	7.53	-10.26
O=C(CCC1=NNN=N1)NCCC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000010312	1	47	0.0	-13.57	393.79	6.75	-6.82
O=C(CCCC1=NNN=N1)NC1CCCN(C2=CC=CC=C2F)C1=O	REAL000000010313	1	44	0.0	-25.43	365.51	4.91	-20.51
O=C(CCC1=NNN=N1)NC1CCCN(C2=CC=CC=C2F)C1=O	REAL000000010314	1	41	0.0	-19.72	345.11	4.16	-15.56
O=C(NC1CCCN(C2=CC=CC=C2F)C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010315	0	47	0.0	-28.98	391.68	7.84	-21.14
O=C(NC1CCCN(C2=CC=CC=C2F)C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010316	0	44	0.0	-19.92	376.18	4.70	-15.22
CCSCC1=CC=NC(NC(=O)CCCC2=NNN=N2)=C1	REAL000000010317	1	39	0.0	-18.84	340.38	5.83	-13.01
CCSCC1=CC=NC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C1	REAL000000010318	0	42	0.0	-20.47	365.71	8.71	-11.76
CCSCC1=CC=NC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C1	REAL000000010319	0	39	0.0	-13.09	350.96	5.61	-7.48
O=C(CCCC1=NNN=N1)NC(CCO)C1=CC=C(F)C=C1	REAL000000010320	1	40	0.0	-14.55	331.67	1.68	-12.87
O=C(NC(CCO)C1=CC=C(F)C=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010321	0	43	0.0	-15.59	357.21	4.50	-11.09
O=C(NC(CCO)C1=CC=C(F)C=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010322	0	40	0.0	-9.98	342.27	1.46	-8.52
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N(CCCO)C1CC1	REAL000000010323	0	40	0.0	-17.22	317.71	3.73	-13.49
CC1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1C	REAL000000010324	0	42	0.0	-15.25	316.55	7.46	-7.78
C[NH+](C)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL000000010325	0	50	0.0	-75.49	375.40	7.00	-68.49
C[NH+](C)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL000000010325	1	50	0.0	-75.47	375.34	7.00	-68.47
CN1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)(C)C1	REAL000000010328	1	44	0.0	-14.00	332.48	5.12	-8.88
CN1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)C(C)(C)C1	REAL000000010329	0	41	0.0	-8.13	317.27	2.84	-5.28
NC(=O)N1CCC2=CC(NC(=O)CCCC3=NNN=N3)=CC=C21	REAL000000010330	1	40	0.0	-21.28	329.52	1.80	-19.48
NC(=O)N1CCC2=CC(NC(=O)CCC3=NNN=N3)=CC=C21	REAL000000010331	1	37	0.0	-17.51	308.15	1.03	-16.48
NC(=O)N1CCC2=CC(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)=CC=C21	REAL000000010332	0	43	0.0	-21.86	354.37	4.68	-17.19
NC(=O)N1CCC2=CC(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)=CC=C21	REAL000000010333	0	40	0.0	-19.73	340.25	1.59	-18.14
COC(=O)C1CCC(NC(=O)CCCC2=NNN=N2)(C(=O)OC)CC1	REAL000000010334	1	48	0.0	-16.23	380.13	5.54	-10.69
COC(=O)C1CCC(NC(=O)CCC2=NNN=N2)(C(=O)OC)CC1	REAL000000010335	1	45	0.0	-13.17	358.62	4.76	-8.41
COC(=O)C1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)(C(=O)OC)CC1	REAL000000010336	0	48	0.0	-17.03	391.31	3.96	-13.07
COC1=CC=CC=C1COC1CCN(C(=O)CCCC2=NNN=N2)CC1	REAL000000010337	1	51	0.0	-16.24	401.13	6.20	-10.04
COC1=CC=CC=C1COC1CCN(C(=O)CCC2=NNN=N2)CC1	REAL000000010338	1	48	0.0	-11.93	379.59	5.41	-6.51
COC1=CC=CC=C1COC1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000010339	0	51	0.0	-11.51	408.84	6.44	-5.08
O=C(CCC1=NNN=N1)NC1(C2=NOC(C3CCCCC3)=N2)CCCCCC1	REAL000000010340	1	57	0.0	-11.85	417.40	5.92	-5.93
CN1C(=O)OC2=C(NC(=O)CCCC3=NNN=N3)C=CC=C21	REAL000000010341	1	36	0.0	-17.57	310.61	3.36	-14.21
CN1C(=O)OC2=C(NC(=O)C3=CC=CC(NC4=NNN=N4)=C3)C=CC=C21	REAL000000010342	0	39	0.0	-17.79	335.77	6.22	-11.57
CN1C(=O)OC2=C(NC(=O)C3=CC=C(C4=NNN=N4)C=N3)C=CC=C21	REAL000000010343	0	36	0.0	-14.49	320.60	3.13	-11.36
CCC1=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C(C)=NO1	REAL000000010344	0	38	0.0	-16.91	316.56	5.78	-11.13
CCCC1CN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCO1	REAL000000010345	0	43	0.0	-15.42	338.19	6.06	-9.36
CCCC1CN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CCO1	REAL000000010346	0	40	0.0	-8.97	322.58	3.84	-5.13
CC(C)(C)C(=O)CNC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010347	0	40	0.0	-13.81	327.71	5.19	-8.63
COC1=CC=C(C(CCO)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010348	1	44	0.0	-15.34	354.76	0.92	-14.42
COC1=CC=C(C(CCO)NC(=O)CCC2=NNN=N2)C=C1	REAL000000010349	1	41	0.0	-11.81	333.31	0.14	-11.67
COC1=CC=C(C(CCO)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010350	0	47	0.0	-16.56	380.30	3.74	-12.83
COC1=CC=C(C(CCO)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010351	0	44	0.0	-10.77	365.36	0.71	-10.05
O=C(CCCC1=NNN=N1)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2N1	REAL000000010352	1	50	0.0	-22.51	417.38	4.37	-18.15
O=C(CCC1=NNN=N1)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2N1	REAL000000010353	1	47	0.0	-15.01	397.90	3.22	-11.78
CN(CCO)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010354	1	42	0.0	-17.41	340.39	1.43	-15.98
CN(CCO)C1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010355	0	45	0.0	-17.79	364.95	4.30	-13.49
CN(CCO)C1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010356	0	42	0.0	-11.77	349.77	1.29	-10.48
CC(C)C1=CC=C(CC(C)NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010357	1	48	0.0	-14.74	382.47	7.20	-7.54
CC(C)C1=CC=C(CC(C)NC(=O)CCC2=NNN=N2)C=C1	REAL000000010358	1	45	0.0	-10.48	360.97	6.42	-4.06
CC(C)C1=CC=C(CC(C)NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010359	0	51	0.0	-17.17	407.67	10.05	-7.12
CC(C)C1=CC=C(CC(C)NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010360	0	48	0.0	-9.72	393.06	6.98	-2.74
O=C(CO)N1CCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)CC1	REAL000000010365	0	41	0.0	-27.39	329.20	2.92	-24.47
O=C(CO)N1CCN(C(=O)C2=CC=C(C3=NNN=N3)C=N2)CC1	REAL000000010366	0	38	0.0	-19.27	314.11	0.66	-18.61
CC1=NC(CCNC(=O)C2=CC=CC(NC3=NNN=N3)=C2)=C(C)O1	REAL000000010367	0	41	0.0	-21.03	347.21	3.22	-17.81
CC1=NC(CCNC(=O)C2=CC=C(C3=NNN=N3)C=N2)=C(C)O1	REAL000000010368	0	38	0.0	-13.62	332.66	0.16	-13.47
CC1=CC(C[NH+](C)C)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL000000010369	0	44	0.0	-77.09	353.07	5.94	-71.15
CC1=CC(C[NH+](C)C)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL000000010369	1	44	0.0	-77.08	353.02	5.93	-71.15
O=C(CCCC1=NNN=N1)NC1COC2=CC=CC=C2C1=O	REAL000000010372	1	37	0.0	-20.08	315.69	2.67	-17.41
O=C(NC1COC2=CC=CC=C2C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010373	0	40	0.0	-22.44	340.67	5.54	-16.90
O=C(NC1COC2=CC=CC=C2C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010374	0	37	0.0	-14.93	326.05	2.46	-12.47
O=C(CCCC1=NNN=N1)N1C2CCC1CC(O)(CC1=CC=C(F)C=C1F)C2	REAL000000010375	1	51	0.0	-22.59	378.62	4.87	-17.71
O=C(CCC1=NNN=N1)N1C2CCC1CC(O)(CC1=CC=C(F)C=C1F)C2	REAL000000010376	1	48	0.0	-17.12	357.74	4.11	-13.01
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010379	0	39	0.0	-23.17	342.55	5.89	-17.27
O=C(NC1=CC=C2N=C(C(F)F)NC2=C1)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010379	1	39	0.0	-18.60	343.00	5.91	-12.68
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010380	0	36	0.0	-11.63	328.25	2.81	-8.82
O=C(NC1=CC=C2N=C(C(F)F)NC2=C1)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010380	1	36	0.0	-11.95	327.86	2.83	-9.11
CC1(O)CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010381	0	40	0.0	-15.58	313.14	3.39	-12.19
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCCC2=NNN=N2)C=C1	REAL000000010382	1	45	0.0	-18.30	366.00	6.09	-12.21
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCC2=NNN=N2)C=C1	REAL000000010383	1	42	0.0	-12.84	344.81	5.29	-7.55
CC(C)(C)OC(=O)C1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010384	0	48	0.0	-17.51	391.91	8.88	-8.63
CC(C)(C)OC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010385	0	45	0.0	-10.78	376.58	5.87	-4.91
COC1CCCN(C(=O)C2=CC=CC(NC3=NNN=N3)=C2)C1	REAL000000010386	0	40	0.0	-16.68	316.14	5.02	-11.66
CC1CC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCO1	REAL000000010387	0	40	0.0	-14.88	318.32	4.76	-10.12
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)CCCC1=NNN=N1	REAL000000010388	1	43	0.0	-12.95	342.28	4.73	-8.23
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)CCC1=NNN=N1	REAL000000010389	1	40	0.0	-9.23	320.78	3.94	-5.28
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010390	0	46	0.0	-13.94	368.56	7.48	-6.46
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010391	0	43	0.0	-8.70	354.18	4.49	-4.21
CC(C)N(CC(=O)OC(C)(C)C)C(=O)CCCC1=NNN=N1	REAL000000010392	1	47	0.0	-15.52	362.21	6.27	-9.25
CC(C)N(CC(=O)OC(C)(C)C)C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010393	0	50	0.0	-15.44	382.02	8.54	-6.91
CC(C)N(CC(=O)OC(C)(C)C)C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010394	0	47	0.0	-11.27	369.24	6.94	-4.33
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCOC2(CCC2)C1	REAL000000010395	0	41	0.0	-15.29	322.62	5.53	-9.77
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCOC2(CCC2)C1	REAL000000010396	0	38	0.0	-9.30	305.04	3.39	-5.91
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)CCCC1=NNN=N1	REAL000000010397	1	49	0.0	-15.65	369.43	8.41	-7.24
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)CCC1=NNN=N1	REAL000000010398	1	46	0.0	-10.93	347.92	7.63	-3.30
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010399	0	52	0.0	-17.55	391.79	10.87	-6.68
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010400	0	49	0.0	-10.21	376.87	8.62	-1.59
O=C(C1=CC=CC(NC2=NNN=N2)=C1)N1CCN2C(=O)CCC2C1	REAL000000010401	0	41	0.0	-14.77	325.64	5.25	-9.52
O=C(C1=CC=C(C2=NNN=N2)C=N1)N1CCN2C(=O)CCC2C1	REAL000000010402	0	38	0.0	-14.94	310.60	3.17	-11.77
CCC1(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)CCOCC1	REAL000000010403	0	43	0.0	-14.60	328.31	5.44	-9.16
CCC1(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)CCOCC1	REAL000000010404	0	40	0.0	-8.22	312.92	2.34	-5.88
O=C(CCCC1=NNN=N1)NC1CCCN(CC2=CC=CC=C2)C1=O	REAL000000010405	1	47	0.0	-21.99	378.53	5.29	-16.70
O=C(CCC1=NNN=N1)NC1CCCN(CC2=CC=CC=C2)C1=O	REAL000000010406	1	44	0.0	-18.30	357.03	4.51	-13.78
O=C(NC1CCCN(CC2=CC=CC=C2)C1=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010407	0	50	0.0	-25.42	403.69	8.19	-17.23
O=C(NC1CCCN(CC2=CC=CC=C2)C1=O)C1=CC=C(C2=NNN=N2)C=N1	REAL000000010408	0	47	0.0	-18.45	389.35	5.05	-13.40
CC(=O)N1CCC(NC(=O)CCCC2=NNN=N2)C2=CC=CC=C21	REAL000000010409	1	44	0.0	-21.45	346.01	4.22	-17.23
CC(=O)N1CCC(NC(=O)CCC2=NNN=N2)C2=CC=CC=C21	REAL000000010410	1	41	0.0	-17.58	323.43	3.47	-14.11
CC(=O)N1CCC(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C2=CC=CC=C21	REAL000000010411	0	47	0.0	-22.89	370.48	7.04	-15.85
CC(=O)N1CCC(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C2=CC=CC=C21	REAL000000010412	0	44	0.0	-16.53	357.03	4.11	-12.42
O=C(CCCC1=NNN=N1)NCCNC(=O)C1=CC=CS1	REAL000000010413	1	37	0.0	-17.60	331.24	0.93	-16.67
O=C(NCCNC(=O)C1=CC=CC(NC2=NNN=N2)=C1)C1=CC=CS1	REAL000000010414	0	40	0.0	-18.77	356.40	3.78	-14.98
O=C(NCCNC(=O)C1=CC=C(C2=NNN=N2)C=N1)C1=CC=CS1	REAL000000010415	0	37	0.0	-13.21	341.84	0.72	-12.49
CCC1=NOC(C)=C1NC(=O)C1=CC=CC(NC2=NNN=N2)=C1	REAL000000010416	0	38	0.0	-17.01	315.51	5.60	-11.40
CCCOC1=CC=C(NC(=O)C2=CC=CC(NC3=NNN=N3)=C2)C=C1	REAL000000010417	0	43	0.0	-16.48	355.18	7.23	-9.25
CCCOC1=CC=C(NC(=O)C2=CC=C(C3=NNN=N3)C=N2)C=C1	REAL000000010418	0	40	0.0	-9.53	339.88	4.21	-5.32